#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g9a h LYS 3 N 0.00 0.46 0.42 1.61 3.11 -1.96 -1.83 116.57 118.38 3g9a h LYS 3 Ca 0.00 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.80 3g9a h LYS 3 Cb 0.00 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.12 3g9a h LYS 3 CO 0.00 0.30 -0.30 0.78 -2.81 0.00 0.00 179.45 177.42 3g9a h GLY 4 N 0.47 -0.76 0.19 5.01 0.00 -1.76 -2.75 103.07 103.47 3g9a h GLY 4 Ca 0.20 0.34 0.17 0.00 0.00 0.00 0.00 47.33 48.04 3g9a h GLY 4 CO -0.14 -0.28 0.56 -2.09 0.00 0.00 0.00 176.54 174.58 3g9a h GLU 5 N -0.71 0.72 0.00 4.80 4.81 -1.66 -1.50 114.58 121.05 3g9a h GLU 5 Ca -0.04 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3g9a h GLU 5 Cb 0.61 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 3g9a h GLU 5 CO 0.01 0.48 -0.04 0.93 -0.73 0.00 0.00 179.01 179.65 3g9a h GLU 6 N 0.74 0.00 0.00 1.92 5.08 -1.03 -1.89 114.58 119.41 3g9a h GLU 6 Ca 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.89 3g9a h GLU 6 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3g9a h GLU 6 CO -0.37 0.04 0.00 1.28 -1.00 0.00 0.00 179.01 178.97 3g9a n LEU 7 N -3.60 0.00 -0.25 1.33 4.77 -0.56 -3.29 117.00 115.40 3g9a n LEU 7 Ca -0.02 0.49 0.03 0.00 -0.03 0.00 0.00 56.01 56.47 3g9a n LEU 7 Cb 0.15 -0.49 0.07 0.00 -2.33 0.00 0.00 43.42 40.82 3g9a n LEU 7 CO 0.27 -0.24 0.55 0.49 -1.33 0.00 0.00 177.39 177.14 3g9a n PHE 8 N -1.49 0.19 0.35 -1.77 3.72 -0.71 -4.65 117.46 113.10 3g9a n PHE 8 Ca 0.04 -0.55 0.14 0.00 -0.05 0.00 0.00 57.45 57.03 3g9a n PHE 8 Cb 0.17 -0.06 0.52 0.00 -0.94 0.00 0.00 39.48 39.17 3g9a n PHE 8 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3g9a h THR 9 N 0.72 0.00 -3.63 4.37 1.35 -1.68 -3.36 112.91 110.68 3g9a h THR 9 Ca 0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3g9a h THR 9 Cb 0.65 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 3g9a h THR 9 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 3g9a n GLY 10 N 0.34 5.39 3.70 5.82 0.00 -1.26 -4.78 105.19 114.39 3g9a n GLY 10 Ca 0.02 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 3g9a n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g9a s VAL 11 N -0.37 4.85 -0.12 1.61 1.01 -1.26 -4.47 120.40 121.64 3g9a s VAL 11 Ca 0.00 2.04 0.03 0.00 0.00 0.00 0.00 61.98 64.05 3g9a s VAL 11 Cb 0.00 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.07 3g9a s VAL 11 CO 0.00 0.11 -0.22 -0.69 0.00 0.00 0.00 175.10 174.30 3g9a s VAL 12 N 1.33 2.15 0.43 2.92 1.01 -0.14 -4.95 120.40 123.15 3g9a s VAL 12 Ca 0.50 -0.97 -0.25 0.00 0.00 0.00 0.00 61.98 61.27 3g9a s VAL 12 Cb -0.20 -1.85 -0.08 0.00 0.00 0.00 0.00 36.38 34.25 3g9a s VAL 12 CO 0.24 0.55 1.27 -2.84 0.00 0.00 0.00 175.10 174.32 3g9a s PRO 13 N 0.61 3.84 -0.02 2.72 0.02 -1.26 -0.72 135.00 140.19 3g9a s PRO 13 Ca -0.12 2.06 0.05 0.00 0.02 0.00 0.00 61.00 63.01 3g9a s PRO 13 Cb -0.16 -2.63 -0.01 0.00 0.02 0.00 0.00 34.50 31.72 3g9a s PRO 13 CO 0.03 -0.57 -0.17 0.42 -0.33 0.00 0.00 177.00 176.38 3g9a s ILE 14 N -1.33 1.38 -0.05 2.83 1.01 0.05 -0.80 121.20 124.28 3g9a s ILE 14 Ca 0.60 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 60.56 3g9a s ILE 14 Cb -0.36 -1.16 -0.00 0.00 0.01 0.00 0.00 42.46 40.95 3g9a s ILE 14 CO 0.45 0.39 -0.19 -0.76 0.00 0.00 0.00 174.94 174.83 3g9a s LEU 15 N -0.29 1.94 -0.06 2.97 1.43 -0.46 -1.57 118.68 122.64 3g9a s LEU 15 Ca 0.04 -0.40 0.05 0.00 -1.03 0.00 0.00 54.13 52.79 3g9a s LEU 15 Cb -0.08 -1.09 -0.00 0.00 0.03 0.00 0.00 46.19 45.05 3g9a s LEU 15 CO -0.00 0.17 -0.20 -0.69 0.23 0.00 0.00 176.35 175.86 3g9a s VAL 16 N 0.06 1.66 -0.05 -1.59 1.01 -0.13 -0.98 120.40 120.39 3g9a s VAL 16 Ca -0.06 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 3g9a s VAL 16 Cb -0.13 -1.43 0.03 0.00 0.00 0.00 0.00 36.38 34.85 3g9a s VAL 16 CO 0.03 0.47 -0.01 -1.61 0.00 0.00 0.00 175.10 173.98 3g9a s GLU 17 N 0.06 0.53 -0.04 2.72 0.41 -0.34 0.39 118.70 122.44 3g9a s GLU 17 Ca -0.06 0.05 0.02 0.00 -0.41 0.00 0.00 54.97 54.57 3g9a s GLU 17 Cb -0.13 -0.75 0.01 0.00 -1.78 0.00 0.00 34.13 31.47 3g9a s GLU 17 CO 0.04 -0.19 -0.10 -1.17 -0.49 0.00 0.00 175.26 173.35 3g9a s LEU 18 N 1.38 1.71 -0.13 1.80 0.20 0.05 -0.31 118.68 123.37 3g9a s LEU 18 Ca -0.04 -0.21 -0.01 0.00 0.69 0.00 0.00 54.13 54.56 3g9a s LEU 18 Cb -0.13 -0.62 -0.02 0.00 -0.43 0.00 0.00 46.19 44.99 3g9a s LEU 18 CO -0.02 0.05 -0.11 -1.81 -0.29 0.00 0.00 176.35 174.17 3g9a s ASP 19 N 0.36 4.20 0.10 3.68 1.01 -0.80 -0.82 116.67 124.42 3g9a s ASP 19 Ca -0.06 -0.27 0.06 0.00 0.71 0.00 0.00 52.55 52.98 3g9a s ASP 19 Cb -0.11 -1.63 -0.03 0.00 1.01 0.00 0.00 42.92 42.15 3g9a s ASP 19 CO 0.01 0.17 -0.15 -0.83 0.21 0.00 0.00 175.17 174.58 3g9a s GLY 20 N 0.31 1.03 -0.21 0.21 0.00 0.78 -1.27 107.32 108.17 3g9a s GLY 20 Ca -0.09 -1.19 -0.04 0.00 0.00 0.00 0.00 44.72 43.41 3g9a s GLY 20 CO 0.05 -1.23 0.21 -0.35 0.00 0.00 0.00 173.10 171.78 3g9a s ASP 21 N -2.14 1.56 -0.22 1.64 -1.08 -0.66 -1.47 116.67 114.30 3g9a s ASP 21 Ca 0.05 -0.34 0.02 0.00 -0.52 0.00 0.00 52.55 51.76 3g9a s ASP 21 Cb -0.07 0.31 0.04 0.00 -1.46 0.00 0.00 42.92 41.74 3g9a s ASP 21 CO 0.03 -0.34 -0.15 -0.69 0.52 0.00 0.00 175.17 174.54 3g9a s VAL 22 N 2.30 2.08 -1.33 1.11 1.01 -0.41 0.22 120.40 125.39 3g9a s VAL 22 Ca 0.07 -1.29 -0.05 0.00 0.00 0.00 0.00 61.98 60.71 3g9a s VAL 22 Cb -0.16 -2.06 0.03 0.00 0.00 0.00 0.00 36.38 34.20 3g9a s VAL 22 CO -0.14 0.23 0.34 0.59 0.00 0.00 0.00 175.10 176.11 3g9a n ASN 23 N 4.53 -4.57 0.00 3.32 4.13 0.10 -0.58 115.26 122.20 3g9a n ASN 23 Ca -0.17 -0.16 0.00 0.00 1.68 0.00 0.00 54.58 55.93 3g9a n ASN 23 Cb 0.46 -3.78 0.00 0.00 -1.54 0.00 0.00 39.78 34.92 3g9a n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3g9a n GLY 24 N -1.14 1.70 3.59 7.41 0.00 -1.26 -5.01 105.19 110.48 3g9a n GLY 24 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 3g9a n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3g9a s HIS 25 N -2.94 2.89 0.08 1.61 3.76 0.26 -5.02 115.29 115.92 3g9a s HIS 25 Ca 0.00 0.62 -0.14 0.00 -0.15 0.00 0.00 55.06 55.39 3g9a s HIS 25 Cb 0.00 -4.18 -0.06 0.00 1.11 0.00 0.00 32.58 29.45 3g9a s HIS 25 CO 0.00 -1.15 0.48 0.15 -0.85 0.00 0.00 174.74 173.37 3g9a s LYS 26 N 4.09 3.95 0.14 1.40 -0.14 -1.26 -1.28 119.74 126.65 3g9a s LYS 26 Ca 0.43 0.45 -0.20 0.00 -1.36 0.00 0.00 55.97 55.29 3g9a s LYS 26 Cb -0.09 -3.08 0.05 0.00 -1.68 0.00 0.00 37.83 33.03 3g9a s LYS 26 CO 0.28 0.59 0.50 -0.59 -0.76 0.00 0.00 175.35 175.37 3g9a s PHE 27 N -1.28 -0.38 0.03 3.18 -0.12 -0.54 -4.97 117.98 113.90 3g9a s PHE 27 Ca 0.31 0.12 0.03 0.00 -0.05 0.00 0.00 56.93 57.34 3g9a s PHE 27 Cb -0.16 0.41 -0.02 0.00 -0.63 0.00 0.00 43.02 42.62 3g9a s PHE 27 CO 0.17 -0.78 -0.09 -1.12 -0.05 0.00 0.00 175.22 173.36 3g9a s SER 28 N -2.77 1.03 -0.03 1.98 0.01 -1.26 -0.15 113.70 112.51 3g9a s SER 28 Ca 0.02 -0.39 0.02 0.00 1.31 0.00 0.00 55.95 56.91 3g9a s SER 28 Cb 0.00 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.20 3g9a s SER 28 CO -0.12 -0.05 -0.08 -0.69 0.41 0.00 0.00 173.24 172.71 3g9a s VAL 29 N -0.85 0.70 -0.10 3.43 1.01 0.00 -1.30 120.40 123.29 3g9a s VAL 29 Ca -0.03 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.68 3g9a s VAL 29 Cb -0.07 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 3g9a s VAL 29 CO 0.00 0.23 -0.17 -0.44 0.00 0.00 0.00 175.10 174.72 3g9a s SER 30 N 0.35 3.68 0.11 3.32 0.01 -0.40 -0.77 113.70 120.00 3g9a s SER 30 Ca -0.05 -0.38 0.06 0.00 1.31 0.00 0.00 55.95 56.89 3g9a s SER 30 Cb -0.10 -1.34 -0.04 0.00 0.21 0.00 0.00 66.02 64.76 3g9a s SER 30 CO 0.00 0.20 -0.16 -0.83 0.41 0.00 0.00 173.24 172.87 3g9a s GLY 31 N 0.11 1.09 0.02 3.44 0.00 0.16 -0.64 107.32 111.50 3g9a s GLY 31 Ca -0.08 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.41 3g9a s GLY 31 CO 0.05 -1.27 -0.03 -0.54 0.00 0.00 0.00 173.10 171.32 3g9a s GLU 32 N -2.31 0.25 0.00 2.90 2.02 -0.67 -0.95 118.70 119.93 3g9a s GLU 32 Ca 0.06 -0.44 0.00 0.00 0.02 0.00 0.00 54.97 54.61 3g9a s GLU 32 Cb -0.07 0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.20 3g9a s GLU 32 CO 0.03 -0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.70 3g9a n GLY 33 N 2.03 -0.77 3.32 -1.39 0.00 -0.61 -1.13 105.19 106.64 3g9a n GLY 33 Ca -0.20 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 3g9a n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3g9a s GLU 34 N -0.35 1.08 0.04 1.61 -1.05 -0.51 -0.77 118.70 118.75 3g9a s GLU 34 Ca 0.00 -0.68 0.05 0.00 -0.15 0.00 0.00 54.97 54.18 3g9a s GLU 34 Cb 0.00 0.48 -0.02 0.00 -0.44 0.00 0.00 34.13 34.14 3g9a s GLU 34 CO 0.00 -0.42 -0.14 0.20 0.95 0.00 0.00 175.26 175.85 3g9a s GLY 35 N -2.78 0.79 -0.43 -3.83 0.00 0.10 -1.95 107.32 99.22 3g9a s GLY 35 Ca 0.03 -0.85 0.02 0.00 0.00 0.00 0.00 44.72 43.92 3g9a s GLY 35 CO -0.12 -0.83 0.29 -0.35 0.00 0.00 0.00 173.10 172.09 3g9a s ASP 36 N -1.24 2.84 0.57 1.64 -1.08 0.19 -0.96 116.67 118.62 3g9a s ASP 36 Ca 0.01 -2.78 0.31 0.00 -0.52 0.00 0.00 52.55 49.57 3g9a s ASP 36 Cb -0.08 -0.72 1.71 0.00 -1.46 0.00 0.00 42.92 42.37 3g9a s ASP 36 CO 0.01 -0.23 2.16 0.00 0.52 0.00 0.00 175.17 177.64 3g9a h ALA 37 N 6.30 1.27 -0.62 3.66 0.00 -1.74 -0.47 119.26 127.66 3g9a h ALA 37 Ca 0.12 -0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.14 3g9a h ALA 37 Cb 0.91 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3g9a h ALA 37 CO 0.41 0.08 0.44 1.15 0.00 0.00 0.00 179.25 181.33 3g9a h THR 38 N 0.00 0.72 -0.08 0.00 2.02 -1.87 -1.55 112.91 112.16 3g9a h THR 38 Ca -0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3g9a h THR 38 Cb 0.21 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 3g9a h THR 38 CO 0.01 0.01 0.00 -1.22 0.37 0.00 0.00 175.52 174.69 3g9a n TYR 39 N -4.38 0.10 -2.73 3.16 4.01 -0.26 -4.96 117.16 112.11 3g9a n TYR 39 Ca 0.12 -0.38 -0.20 0.00 -0.16 0.00 0.00 57.90 57.28 3g9a n TYR 39 Cb 0.65 -0.03 0.01 0.00 -0.31 0.00 0.00 39.34 39.65 3g9a n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3g9a n GLY 40 N -0.12 -0.51 3.57 2.72 0.00 -0.58 -4.73 105.19 105.55 3g9a n GLY 40 Ca 0.03 0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 3g9a n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3g9a s LYS 41 N -5.38 3.85 -0.06 1.61 2.20 -0.77 -0.61 119.74 120.59 3g9a s LYS 41 Ca 0.15 -0.41 0.05 0.00 -0.36 0.00 0.00 55.97 55.40 3g9a s LYS 41 Cb -0.07 -3.14 -0.01 0.00 -1.51 0.00 0.00 37.83 33.10 3g9a s LYS 41 CO 0.18 0.21 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.67 3g9a s LEU 42 N 0.51 1.98 -0.14 5.43 1.43 0.40 -0.64 118.68 127.65 3g9a s LEU 42 Ca 0.01 -0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 52.68 3g9a s LEU 42 Cb -0.13 -1.17 0.03 0.00 0.03 0.00 0.00 46.19 44.94 3g9a s LEU 42 CO 0.01 0.19 -0.09 0.42 0.23 0.00 0.00 176.35 177.11 3g9a s THR 43 N 0.01 1.24 -0.01 5.49 -4.23 -0.82 -1.21 115.64 116.11 3g9a s THR 43 Ca -0.06 -0.50 -0.02 0.00 -1.18 0.00 0.00 61.69 59.94 3g9a s THR 43 Cb -0.13 -1.26 0.00 0.00 1.34 0.00 0.00 72.50 72.45 3g9a s THR 43 CO 0.03 0.34 0.04 -0.76 -0.54 0.00 0.00 174.62 173.73 3g9a s LEU 44 N 1.61 1.85 -0.12 4.79 1.43 -0.35 -1.42 118.68 126.47 3g9a s LEU 44 Ca 0.04 0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 3g9a s LEU 44 Cb -0.13 0.16 0.01 0.00 0.03 0.00 0.00 46.19 46.25 3g9a s LEU 44 CO -0.09 -0.04 -0.18 -0.75 0.23 0.00 0.00 176.35 175.52 3g9a s LYS 45 N -0.09 2.53 -0.09 1.70 2.20 -0.28 -0.20 119.74 125.50 3g9a s LYS 45 Ca -0.01 -0.68 0.00 0.00 -0.36 0.00 0.00 55.97 54.92 3g9a s LYS 45 Cb -0.01 -2.09 -0.03 0.00 -1.51 0.00 0.00 37.83 34.19 3g9a s LYS 45 CO 0.00 -0.03 -0.09 -0.06 -0.36 0.00 0.00 175.35 174.82 3g9a s PHE 46 N 0.88 2.90 -0.08 4.03 0.08 0.23 -1.68 117.98 124.33 3g9a s PHE 46 Ca -0.08 -0.18 0.04 0.00 0.12 0.00 0.00 56.93 56.83 3g9a s PHE 46 Cb -0.15 -1.77 0.00 0.00 -0.57 0.00 0.00 43.02 40.53 3g9a s PHE 46 CO -0.01 0.14 -0.20 0.42 -0.10 0.00 0.00 175.22 175.48 3g9a s ILE 47 N -0.37 1.74 -0.29 0.64 1.01 0.19 -1.05 121.20 123.07 3g9a s ILE 47 Ca 0.05 -0.84 -0.29 0.00 0.00 0.00 0.00 60.65 59.57 3g9a s ILE 47 Cb -0.12 -1.52 0.01 0.00 0.01 0.00 0.00 42.46 40.84 3g9a s ILE 47 CO 0.02 0.49 1.17 0.00 0.00 0.00 0.00 174.94 176.62 3g9a n THR 49 N 5.87 0.00 -0.28 0.00 -2.24 -0.42 -3.73 114.28 113.48 3g9a n THR 49 Ca 0.13 -0.22 0.06 0.00 -2.27 0.00 0.00 64.05 61.75 3g9a n THR 49 Cb 0.47 0.51 0.18 0.00 -2.10 0.00 0.00 70.33 69.38 3g9a n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3g9a n THR 50 N -0.05 1.15 0.00 4.28 -2.24 -1.25 -4.97 114.28 111.20 3g9a n THR 50 Ca 0.17 -1.10 0.00 0.00 -2.27 0.00 0.00 64.05 60.85 3g9a n THR 50 Cb 0.36 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 3g9a n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g9a n GLY 51 N 0.47 0.54 3.72 3.38 0.00 -1.24 -4.98 105.19 107.07 3g9a n GLY 51 Ca 0.13 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 3g9a n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3g9a s LYS 52 N 0.00 4.55 0.10 1.61 2.20 -1.26 -4.51 119.74 122.43 3g9a s LYS 52 Ca 0.00 1.27 -0.31 0.00 -0.36 0.00 0.00 55.97 56.57 3g9a s LYS 52 Cb 0.00 -3.43 -0.08 0.00 -1.51 0.00 0.00 37.83 32.81 3g9a s LYS 52 CO 0.00 0.05 1.44 -1.17 -0.36 0.00 0.00 175.35 175.31 3g9a s LEU 53 N 0.69 4.36 0.00 5.43 2.96 -1.26 -4.91 118.68 125.95 3g9a s LEU 53 Ca 0.47 2.35 0.30 0.00 -0.22 0.00 0.00 54.13 57.02 3g9a s LEU 53 Cb -0.21 -3.58 1.39 0.00 0.50 0.00 0.00 46.19 44.30 3g9a s LEU 53 CO 0.26 -0.71 1.95 -0.81 -1.32 0.00 0.00 176.35 175.72 3g9a n PRO 54 N 4.28 0.84 -4.38 0.98 -0.04 -1.26 -4.80 135.00 130.63 3g9a n PRO 54 Ca 0.12 -0.24 -0.19 0.00 -0.04 0.00 0.00 63.50 63.15 3g9a n PRO 54 Cb 0.42 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.28 3g9a n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3g9a s VAL 55 N -2.32 1.46 0.26 0.52 -7.23 -1.26 -4.60 120.40 107.24 3g9a s VAL 55 Ca 0.34 -2.11 -0.29 0.00 -1.81 0.00 0.00 61.98 58.11 3g9a s VAL 55 Cb 0.21 -2.31 -0.09 0.00 0.56 0.00 0.00 36.38 34.74 3g9a s VAL 55 CO 0.43 -0.39 1.16 -2.84 -0.31 0.00 0.00 175.10 173.15 3g9a s PRO 56 N -3.75 4.56 0.27 4.82 0.02 -1.26 -4.93 135.00 134.72 3g9a s PRO 56 Ca 0.27 1.89 -0.02 0.00 0.02 0.00 0.00 61.00 63.17 3g9a s PRO 56 Cb 0.03 -3.18 0.58 0.00 0.02 0.00 0.00 34.50 31.95 3g9a s PRO 56 CO 0.09 0.07 1.67 -1.49 -0.33 0.00 0.00 177.00 177.02 3g9a h TRP 57 N 4.10 0.35 0.00 6.54 4.06 -1.97 -0.81 115.95 128.22 3g9a h TRP 57 Ca -0.47 0.05 -0.00 0.00 2.06 0.00 0.00 58.89 60.53 3g9a h TRP 57 Cb 1.21 -0.03 -0.00 0.00 -1.00 0.00 0.00 29.16 29.35 3g9a h TRP 57 CO 0.59 -0.12 -0.01 -1.35 -3.56 0.00 0.00 178.44 174.00 3g9a h PRO 58 N 0.27 0.00 0.00 0.49 0.11 -1.91 -1.38 132.00 129.59 3g9a h PRO 58 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 3g9a h PRO 58 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3g9a h PRO 58 CO -0.56 0.01 0.00 0.25 -0.21 0.00 0.00 178.00 177.49 3g9a n THR 59 N -3.90 0.80 0.75 -1.15 -2.24 -0.31 -2.69 114.28 105.54 3g9a n THR 59 Ca -0.03 0.16 0.08 0.00 -2.27 0.00 0.00 64.05 62.00 3g9a n THR 59 Cb 0.09 -1.00 0.01 0.00 -2.10 0.00 0.00 70.33 67.33 3g9a n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3g9a n LEU 60 N -1.97 1.86 -0.08 3.22 4.77 -0.52 -4.64 117.00 119.63 3g9a n LEU 60 Ca 0.03 -0.82 -0.06 0.00 -0.03 0.00 0.00 56.01 55.13 3g9a n LEU 60 Cb 0.24 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3g9a n LEU 60 CO 0.19 0.35 0.78 0.58 -1.33 0.00 0.00 177.39 177.96 3g9a h VAL 61 N 2.24 0.61 0.00 4.08 2.07 -1.50 -0.48 116.25 123.27 3g9a h VAL 61 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 3g9a h VAL 61 Cb 0.61 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3g9a h VAL 61 CO 0.00 0.00 -0.30 0.71 0.02 0.00 0.00 177.57 178.00 3g9a h THR 62 N -0.05 0.96 -0.03 2.57 1.35 -1.82 -2.88 112.91 113.00 3g9a h THR 62 Ca 0.16 -1.14 -0.10 0.00 -0.55 0.00 0.00 66.41 64.77 3g9a h THR 62 Cb 0.29 1.67 0.01 0.00 -1.73 0.00 0.00 68.15 68.38 3g9a h THR 62 CO -0.35 0.30 -0.37 0.74 -0.25 0.00 0.00 175.52 175.59 3g9a h THR 63 N 0.00 1.46 0.00 6.82 2.02 -1.68 -3.45 112.91 118.07 3g9a h THR 63 Ca -0.00 -1.87 -0.11 0.00 0.77 0.00 0.00 66.41 65.20 3g9a h THR 63 Cb 0.64 2.51 0.00 0.00 -1.74 0.00 0.00 68.15 69.56 3g9a h THR 63 CO 0.04 0.53 1.35 0.49 0.37 0.00 0.00 175.52 178.30 3g9a n PHE 64 N -4.39 0.38 0.00 3.16 3.72 -0.26 -5.04 117.46 115.02 3g9a n PHE 64 Ca -0.09 -0.87 0.00 0.00 -0.05 0.00 0.00 57.45 56.44 3g9a n PHE 64 Cb 0.54 -0.90 0.00 0.00 -0.94 0.00 0.00 39.48 38.19 3g9a n PHE 64 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3g9a n VAL 68 N 4.48 0.00 0.95 -4.37 0.24 -1.26 -5.01 118.33 113.36 3g9a n VAL 68 Ca 0.13 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.52 3g9a n VAL 68 Cb 0.06 0.00 0.49 0.00 -1.47 0.00 0.00 33.84 32.92 3g9a n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3g9a n GLN 69 N 0.00 0.35 0.11 7.34 6.02 -1.26 -1.51 117.38 128.44 3g9a n GLN 69 Ca 0.00 0.08 0.09 0.00 -0.01 0.00 0.00 57.00 57.16 3g9a n GLN 69 Cb 0.00 -1.50 0.43 0.00 1.02 0.00 0.00 30.24 30.19 3g9a n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3g9a n PHE 71 N -2.05 0.41 -1.78 0.00 3.72 -0.57 -4.69 117.46 112.51 3g9a n PHE 71 Ca 0.00 -0.21 -0.40 0.00 -0.05 0.00 0.00 57.45 56.80 3g9a n PHE 71 Cb 0.09 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.65 3g9a n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3g9a s SER 72 N -1.37 5.78 -0.44 4.37 0.01 -0.81 -4.13 113.70 117.12 3g9a s SER 72 Ca 0.33 2.93 -0.26 0.00 1.31 0.00 0.00 55.95 60.26 3g9a s SER 72 Cb 0.18 -2.65 0.02 0.00 0.21 0.00 0.00 66.02 63.78 3g9a s SER 72 CO 0.26 -1.24 0.94 -0.60 0.41 0.00 0.00 173.24 173.01 3g9a s ARG 73 N -2.51 3.63 -0.32 12.44 3.52 -0.05 -4.77 118.95 130.88 3g9a s ARG 73 Ca 0.62 0.30 -0.18 0.00 -0.13 0.00 0.00 55.73 56.34 3g9a s ARG 73 Cb -0.44 -3.89 -0.01 0.00 -1.56 0.00 0.00 34.95 29.05 3g9a s ARG 73 CO 0.56 -1.16 0.51 0.71 -0.81 0.00 0.00 175.30 175.11 3g9a s TYR 74 N 3.72 3.20 0.59 5.12 1.51 -1.26 -0.83 117.35 129.41 3g9a s TYR 74 Ca 0.38 0.30 -0.18 0.00 -1.01 0.00 0.00 57.07 56.56 3g9a s TYR 74 Cb -0.10 -2.86 -0.06 0.00 -0.11 0.00 0.00 41.96 38.82 3g9a s TYR 74 CO 0.25 -0.46 0.82 -2.30 -1.11 0.00 0.00 175.55 172.74 3g9a n PRO 75 N 5.68 0.76 -0.30 -1.71 -0.02 -1.26 -4.71 135.00 133.43 3g9a n PRO 75 Ca -0.05 0.30 0.09 0.00 -2.02 0.00 0.00 63.50 61.82 3g9a n PRO 75 Cb 0.49 -2.02 0.25 0.00 -0.02 0.00 0.00 33.50 32.21 3g9a n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3g9a h ASP 76 N 0.38 0.52 0.48 2.55 3.58 -2.01 0.20 116.42 122.12 3g9a h ASP 76 Ca -0.48 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.08 3g9a h ASP 76 Cb 1.38 0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.45 3g9a h ASP 76 CO 0.49 0.18 0.00 0.00 -2.88 0.00 0.00 179.24 177.04 3g9a n HIS 77 N -4.89 0.35 -0.11 0.28 1.44 -1.26 -2.15 115.22 108.88 3g9a n HIS 77 Ca 0.19 0.15 0.06 0.00 -2.01 0.00 0.00 57.72 56.11 3g9a n HIS 77 Cb 0.49 -0.74 0.16 0.00 0.12 0.00 0.00 29.99 30.03 3g9a n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3g9a n MET 78 N -1.83 2.60 0.25 -1.40 2.81 0.69 -4.75 117.12 115.49 3g9a n MET 78 Ca 0.02 -2.02 0.10 0.00 -1.81 0.00 0.00 57.70 54.00 3g9a n MET 78 Cb 0.16 -1.30 0.70 0.00 -0.71 0.00 0.00 33.22 32.07 3g9a n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3g9a h LYS 79 N 2.33 0.00 0.00 0.03 1.79 -1.20 -0.13 116.57 119.39 3g9a h LYS 79 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3g9a h LYS 79 Cb 0.73 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 3g9a h LYS 79 CO 0.00 0.00 0.00 2.89 -1.08 0.00 0.00 179.45 181.26 3g9a n ARG 80 N -4.38 0.29 -0.23 3.15 1.85 -1.26 -2.64 116.66 113.44 3g9a n ARG 80 Ca -0.02 0.10 0.12 0.00 -1.00 0.00 0.00 57.85 57.05 3g9a n ARG 80 Cb 0.13 -1.50 0.24 0.00 -1.05 0.00 0.00 32.46 30.28 3g9a n ARG 80 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3g9a n HIS 81 N -1.27 0.60 -2.91 2.89 8.25 -0.06 -4.61 115.22 118.11 3g9a n HIS 81 Ca 0.09 -0.31 -0.44 0.00 -0.26 0.00 0.00 57.72 56.81 3g9a n HIS 81 Cb 0.15 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.24 3g9a n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3g9a s ASP 82 N -1.36 6.86 0.21 0.41 -1.08 -1.08 -4.51 116.67 116.11 3g9a s ASP 82 Ca 0.40 -2.52 -0.09 0.00 -0.52 0.00 0.00 52.55 49.82 3g9a s ASP 82 Cb 0.23 -2.41 0.15 0.00 -1.46 0.00 0.00 42.92 39.43 3g9a s ASP 82 CO 0.32 -0.92 1.80 0.15 0.52 0.00 0.00 175.17 177.03 3g9a h PHE 83 N 7.96 1.12 -0.23 -5.34 3.57 -1.89 -3.07 116.94 119.06 3g9a h PHE 83 Ca 0.25 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.69 3g9a h PHE 83 Cb 0.94 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3g9a h PHE 83 CO 1.15 0.82 0.15 0.74 -2.23 0.00 0.00 178.31 178.94 3g9a h PHE 84 N 1.10 0.29 -0.09 0.41 0.04 -1.89 -1.82 116.94 114.98 3g9a h PHE 84 Ca 0.27 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.90 3g9a h PHE 84 Cb 0.12 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 3g9a h PHE 84 CO 0.01 0.20 -0.58 0.87 -0.60 0.00 0.00 178.31 178.21 3g9a h LYS 85 N 0.31 0.28 0.00 1.51 1.57 -1.84 -3.14 116.57 115.25 3g9a h LYS 85 Ca 0.08 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3g9a h LYS 85 Cb -0.02 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3g9a h LYS 85 CO -0.02 0.78 -0.04 0.66 -0.57 0.00 0.00 179.45 180.26 3g9a h SER 86 N 0.21 0.00 0.50 0.86 4.64 -1.24 -1.32 113.55 117.19 3g9a h SER 86 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g9a h SER 86 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3g9a h SER 86 CO 0.09 0.04 -0.11 0.00 -0.87 0.00 0.00 176.83 175.98 3g9a n ALA 87 N -2.25 2.73 -2.28 5.18 0.00 -0.99 -4.73 120.51 118.17 3g9a n ALA 87 Ca -0.02 -0.23 -0.30 0.00 0.00 0.00 0.00 53.44 52.88 3g9a n ALA 87 Cb 0.15 -1.36 -0.04 0.00 0.00 0.00 0.00 19.45 18.20 3g9a n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3g9a s MET 88 N -2.61 3.77 0.04 0.00 1.00 -0.50 -0.52 119.30 120.48 3g9a s MET 88 Ca 0.25 0.37 0.26 0.00 0.00 0.00 0.00 55.69 56.57 3g9a s MET 88 Cb 0.20 -2.48 0.79 0.00 0.00 0.00 0.00 34.83 33.34 3g9a s MET 88 CO 0.50 0.08 1.63 -0.35 0.00 0.00 0.00 175.02 176.89 3g9a n PRO 89 N -0.99 0.08 0.08 2.03 -0.04 -1.26 -3.95 135.00 130.95 3g9a n PRO 89 Ca 0.01 0.04 0.03 0.00 -0.04 0.00 0.00 63.50 63.54 3g9a n PRO 89 Cb 0.54 -1.56 0.41 0.00 -0.04 0.00 0.00 33.50 32.85 3g9a n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3g9a h GLU 90 N 0.00 0.35 0.00 0.54 5.08 -1.91 -2.68 114.58 115.95 3g9a h GLU 90 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3g9a h GLU 90 Cb 0.57 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3g9a h GLU 90 CO 0.00 0.36 0.00 0.41 -1.00 0.00 0.00 179.01 178.78 3g9a n GLY 91 N -1.14 -1.74 3.09 -3.84 0.00 0.32 -4.64 105.19 97.24 3g9a n GLY 91 Ca 0.01 -1.97 -0.08 0.00 0.00 0.00 0.00 46.02 43.97 3g9a n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3g9a s TYR 92 N 0.00 0.38 -0.10 1.61 -0.85 -0.23 -1.00 117.35 117.16 3g9a s TYR 92 Ca 0.00 -0.83 -0.18 0.00 -0.52 0.00 0.00 57.07 55.54 3g9a s TYR 92 Cb 0.00 -0.28 -0.04 0.00 0.38 0.00 0.00 41.96 42.02 3g9a s TYR 92 CO 0.00 -0.37 0.47 0.08 -1.52 0.00 0.00 175.55 174.21 3g9a s VAL 93 N -3.29 5.15 -0.19 -3.49 1.01 0.94 -1.14 120.40 119.39 3g9a s VAL 93 Ca 0.01 0.94 -0.00 0.00 0.00 0.00 0.00 61.98 62.93 3g9a s VAL 93 Cb 0.03 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.62 3g9a s VAL 93 CO -0.08 0.36 -0.16 -1.58 0.00 0.00 0.00 175.10 173.65 3g9a s GLN 94 N 0.36 3.09 -0.04 2.72 0.74 0.40 -1.50 119.66 125.43 3g9a s GLN 94 Ca 0.26 -0.78 0.06 0.00 0.05 0.00 0.00 55.36 54.95 3g9a s GLN 94 Cb -0.15 -2.67 -0.02 0.00 1.10 0.00 0.00 33.01 31.26 3g9a s GLN 94 CO 0.11 -0.19 -0.22 -1.21 -0.55 0.00 0.00 175.29 173.22 3g9a s GLU 95 N 1.31 2.37 0.08 1.67 2.02 0.15 -0.81 118.70 125.49 3g9a s GLU 95 Ca 0.05 -0.85 0.03 0.00 0.02 0.00 0.00 54.97 54.22 3g9a s GLU 95 Cb -0.13 -2.18 -0.03 0.00 0.10 0.00 0.00 34.13 31.88 3g9a s GLU 95 CO -0.10 0.52 -0.10 1.03 0.02 0.00 0.00 175.26 176.63 3g9a s ARG 96 N -0.50 0.77 -0.16 1.61 0.52 -0.52 -0.73 118.95 119.94 3g9a s ARG 96 Ca 0.06 -1.06 -0.00 0.00 -0.52 0.00 0.00 55.73 54.21 3g9a s ARG 96 Cb -0.11 -0.48 -0.00 0.00 0.52 0.00 0.00 34.95 34.88 3g9a s ARG 96 CO 0.01 0.08 -0.15 0.99 0.02 0.00 0.00 175.30 176.25 3g9a s THR 97 N -2.19 2.68 -0.26 0.02 2.01 -0.64 -1.15 115.64 116.11 3g9a s THR 97 Ca 0.02 -0.76 -0.02 0.00 0.31 0.00 0.00 61.69 61.25 3g9a s THR 97 Cb -0.04 -2.14 0.03 0.00 0.01 0.00 0.00 72.50 70.36 3g9a s THR 97 CO -0.00 0.51 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.76 3g9a s ILE 98 N 0.93 2.89 -0.34 1.82 1.01 0.53 -1.28 121.20 126.76 3g9a s ILE 98 Ca -0.03 -1.13 -0.09 0.00 0.00 0.00 0.00 60.65 59.40 3g9a s ILE 98 Cb -0.15 -2.52 0.02 0.00 0.01 0.00 0.00 42.46 39.82 3g9a s ILE 98 CO -0.02 0.12 0.16 -0.44 0.00 0.00 0.00 174.94 174.76 3g9a s SER 99 N 1.30 5.54 -0.14 3.58 0.01 0.12 -0.45 113.70 123.65 3g9a s SER 99 Ca -0.01 -0.86 -0.25 0.00 1.31 0.00 0.00 55.95 56.14 3g9a s SER 99 Cb -0.17 -1.97 -0.02 0.00 0.21 0.00 0.00 66.02 64.06 3g9a s SER 99 CO -0.04 -0.30 0.79 -0.36 0.41 0.00 0.00 173.24 173.74 3g9a s PHE 100 N 1.54 3.47 0.18 2.43 0.08 -0.58 -1.04 117.98 124.06 3g9a s PHE 100 Ca 0.02 1.25 -0.33 0.00 0.12 0.00 0.00 56.93 57.99 3g9a s PHE 100 Cb -0.18 -2.95 -0.13 0.00 -0.57 0.00 0.00 43.02 39.19 3g9a s PHE 100 CO 0.05 -0.14 1.66 1.17 -0.10 0.00 0.00 175.22 177.87 3g9a n LYS 101 N 4.78 2.49 -1.74 0.44 3.00 -0.57 -0.91 118.16 125.65 3g9a n LYS 101 Ca 0.03 0.90 -0.20 0.00 -0.00 0.00 0.00 58.31 59.04 3g9a n LYS 101 Cb 0.50 -2.71 -0.07 0.00 0.00 0.00 0.00 35.03 32.75 3g9a n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3g9a n ASP 102 N 3.79 -5.45 -0.22 3.14 8.00 -1.26 -4.88 116.55 119.68 3g9a n ASP 102 Ca 0.17 0.38 0.00 0.00 0.71 0.00 0.00 54.79 56.05 3g9a n ASP 102 Cb 0.32 -4.65 0.00 0.00 -0.02 0.00 0.00 41.12 36.77 3g9a n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3g9a n ASP 103 N -1.32 0.00 -2.62 -2.24 -0.08 -0.08 -4.96 116.55 105.24 3g9a n ASP 103 Ca -0.21 -0.22 -0.08 0.00 -1.51 0.00 0.00 54.79 52.78 3g9a n ASP 103 Cb 0.66 0.00 0.06 0.00 2.34 0.00 0.00 41.12 44.17 3g9a n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3g9a n GLY 104 N 0.00 -1.81 3.05 0.27 0.00 -1.14 -4.55 105.19 101.02 3g9a n GLY 104 Ca 0.00 -1.58 -0.13 0.00 0.00 0.00 0.00 46.02 44.31 3g9a n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g9a s ASN 105 N -2.26 0.81 -0.08 1.61 2.20 -0.84 -1.52 114.94 114.86 3g9a s ASN 105 Ca 0.19 -0.49 -0.07 0.00 -0.94 0.00 0.00 52.86 51.55 3g9a s ASN 105 Cb -0.01 0.02 -0.04 0.00 -2.00 0.00 0.00 41.25 39.22 3g9a s ASN 105 CO 0.14 -0.17 0.19 -0.31 -2.94 0.00 0.00 177.10 174.00 3g9a s TYR 106 N -1.23 3.60 -0.11 1.54 2.02 0.40 -1.92 117.35 121.66 3g9a s TYR 106 Ca -0.09 0.55 0.03 0.00 -0.37 0.00 0.00 57.07 57.20 3g9a s TYR 106 Cb -0.09 -1.96 -0.00 0.00 -0.40 0.00 0.00 41.96 39.51 3g9a s TYR 106 CO 0.00 0.70 -0.22 0.15 -1.57 0.00 0.00 175.55 174.62 3g9a s LYS 107 N -1.26 3.10 0.02 -0.62 1.02 0.60 -0.35 119.74 122.25 3g9a s LYS 107 Ca 0.19 -0.85 0.07 0.00 0.02 0.00 0.00 55.97 55.40 3g9a s LYS 107 Cb -0.13 -2.37 -0.02 0.00 -0.52 0.00 0.00 37.83 34.80 3g9a s LYS 107 CO 0.08 0.17 -0.20 0.95 -0.92 0.00 0.00 175.35 175.43 3g9a s THR 108 N 0.39 1.59 -0.08 2.17 -4.23 -0.30 -1.13 115.64 114.03 3g9a s THR 108 Ca -0.17 -1.03 0.01 0.00 -1.18 0.00 0.00 61.69 59.33 3g9a s THR 108 Cb -0.17 -1.35 0.02 0.00 1.34 0.00 0.00 72.50 72.33 3g9a s THR 108 CO 0.08 0.30 -0.10 -0.60 -0.54 0.00 0.00 174.62 173.76 3g9a s ARG 109 N -0.85 1.59 0.06 3.99 3.52 -0.62 -1.43 118.95 125.20 3g9a s ARG 109 Ca 0.07 -0.33 0.05 0.00 -0.13 0.00 0.00 55.73 55.39 3g9a s ARG 109 Cb -0.08 -1.46 -0.03 0.00 -1.56 0.00 0.00 34.95 31.82 3g9a s ARG 109 CO 0.01 -0.11 -0.13 0.00 -0.81 0.00 0.00 175.30 174.26 3g9a s ALA 110 N 1.12 1.10 -0.15 6.12 0.00 0.01 -1.00 121.76 128.96 3g9a s ALA 110 Ca -0.06 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 3g9a s ALA 110 Cb -0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 3g9a s ALA 110 CO -0.02 0.16 -0.11 -1.21 0.00 0.00 0.00 175.76 174.59 3g9a s GLU 111 N -1.58 3.41 -0.23 0.00 2.02 -0.28 -0.46 118.70 121.59 3g9a s GLU 111 Ca -0.02 -0.66 -0.00 0.00 0.02 0.00 0.00 54.97 54.31 3g9a s GLU 111 Cb -0.09 -2.73 0.03 0.00 0.10 0.00 0.00 34.13 31.43 3g9a s GLU 111 CO 0.02 0.14 -0.11 0.08 0.02 0.00 0.00 175.26 175.40 3g9a s VAL 112 N 0.57 2.54 0.18 2.63 1.01 -0.29 -1.42 120.40 125.62 3g9a s VAL 112 Ca -0.07 -1.05 -0.23 0.00 0.00 0.00 0.00 61.98 60.63 3g9a s VAL 112 Cb -0.15 -2.25 0.05 0.00 0.00 0.00 0.00 36.38 34.03 3g9a s VAL 112 CO 0.03 0.29 0.78 -1.59 0.00 0.00 0.00 175.10 174.61 3g9a s LYS 113 N 1.29 1.40 0.17 2.72 -2.85 -0.64 -1.07 119.74 120.76 3g9a s LYS 113 Ca 0.01 -0.70 -0.28 0.00 -1.00 0.00 0.00 55.97 54.00 3g9a s LYS 113 Cb -0.16 0.52 -0.08 0.00 -2.06 0.00 0.00 37.83 36.06 3g9a s LYS 113 CO -0.07 -0.63 0.86 -0.06 0.10 0.00 0.00 175.35 175.55 3g9a s PHE 114 N -3.62 3.90 -0.33 1.78 0.08 -1.01 -0.63 117.98 118.16 3g9a s PHE 114 Ca 0.08 1.74 0.03 0.00 0.12 0.00 0.00 56.93 58.91 3g9a s PHE 114 Cb -0.03 -2.90 0.09 0.00 -0.57 0.00 0.00 43.02 39.61 3g9a s PHE 114 CO -0.01 0.41 0.03 -1.21 -0.10 0.00 0.00 175.22 174.34 3g9a s GLU 115 N -0.83 1.74 7.52 0.44 0.41 -0.01 -4.93 118.70 123.04 3g9a s GLU 115 Ca 0.40 -1.73 0.00 0.00 -0.41 0.00 0.00 54.97 53.23 3g9a s GLU 115 Cb -0.24 -3.17 0.00 0.00 -1.78 0.00 0.00 34.13 28.94 3g9a s GLU 115 CO 0.28 -0.85 0.00 0.41 -0.49 0.00 0.00 175.26 174.61 3g9a n GLY 116 N 4.34 2.83 1.27 -1.39 0.00 -1.26 -2.30 105.19 108.67 3g9a n GLY 116 Ca -0.01 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 45.87 3g9a n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g9a n ASP 117 N 5.73 3.68 -4.54 1.61 8.00 -1.26 -4.90 116.55 124.87 3g9a n ASP 117 Ca 0.00 -2.08 -0.34 0.00 0.71 0.00 0.00 54.79 53.09 3g9a n ASP 117 Cb 0.00 -0.46 -0.11 0.00 -0.02 0.00 0.00 41.12 40.52 3g9a n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3g9a s THR 118 N -1.25 4.02 -0.23 -3.53 2.01 -0.97 -4.33 115.64 111.36 3g9a s THR 118 Ca 0.45 -0.32 -0.23 0.00 0.31 0.00 0.00 61.69 61.90 3g9a s THR 118 Cb 0.24 -2.75 -0.01 0.00 0.01 0.00 0.00 72.50 69.99 3g9a s THR 118 CO 0.29 0.51 0.75 -0.22 -0.69 0.00 0.00 174.62 175.26 3g9a s LEU 119 N 0.12 4.10 -0.09 4.42 1.98 0.02 -0.83 118.68 128.41 3g9a s LEU 119 Ca -0.00 0.95 0.02 0.00 -2.89 0.00 0.00 54.13 52.20 3g9a s LEU 119 Cb -0.13 -3.07 -0.02 0.00 0.66 0.00 0.00 46.19 43.63 3g9a s LEU 119 CO 0.02 -0.42 -0.14 -0.69 -1.89 0.00 0.00 176.35 173.24 3g9a s VAL 120 N 2.49 3.07 -0.32 1.68 1.01 0.20 -1.35 120.40 127.19 3g9a s VAL 120 Ca 0.32 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.63 3g9a s VAL 120 Cb -0.16 -2.24 0.08 0.00 0.00 0.00 0.00 36.38 34.06 3g9a s VAL 120 CO 0.09 0.56 0.01 0.21 0.00 0.00 0.00 175.10 175.97 3g9a s ASN 121 N -0.23 4.75 -0.25 3.32 2.47 -0.15 -1.62 114.94 123.22 3g9a s ASN 121 Ca 0.01 -1.77 -0.09 0.00 0.42 0.00 0.00 52.86 51.43 3g9a s ASN 121 Cb -0.13 -1.64 -0.04 0.00 -1.45 0.00 0.00 41.25 37.99 3g9a s ASN 121 CO 0.03 -0.32 0.11 -0.13 -3.72 0.00 0.00 177.10 173.07 3g9a s ARG 122 N 1.05 3.79 -0.03 0.43 0.52 -0.51 -1.20 118.95 123.00 3g9a s ARG 122 Ca 0.02 -0.41 0.05 0.00 -0.52 0.00 0.00 55.73 54.87 3g9a s ARG 122 Cb -0.20 -3.43 -0.01 0.00 0.52 0.00 0.00 34.95 31.83 3g9a s ARG 122 CO -0.06 -0.14 -0.19 0.42 0.02 0.00 0.00 175.30 175.35 3g9a s ILE 123 N 1.56 1.57 -0.11 1.52 1.01 0.57 -1.13 121.20 126.19 3g9a s ILE 123 Ca 0.06 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.89 3g9a s ILE 123 Cb -0.15 -1.33 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 3g9a s ILE 123 CO 0.06 0.45 -0.14 -1.61 0.00 0.00 0.00 174.94 173.70 3g9a s GLU 124 N -0.25 3.22 -0.04 2.79 0.41 -0.17 -1.90 118.70 122.76 3g9a s GLU 124 Ca 0.02 -0.70 0.03 0.00 -0.41 0.00 0.00 54.97 53.92 3g9a s GLU 124 Cb -0.10 -2.57 0.00 0.00 -1.78 0.00 0.00 34.13 29.68 3g9a s GLU 124 CO 0.01 0.28 -0.14 -1.17 -0.49 0.00 0.00 175.26 173.75 3g9a s LEU 125 N 0.17 1.84 -0.10 1.80 0.20 -0.40 -1.58 118.68 120.61 3g9a s LEU 125 Ca -0.08 -0.29 0.01 0.00 0.69 0.00 0.00 54.13 54.46 3g9a s LEU 125 Cb -0.15 -0.82 0.02 0.00 -0.43 0.00 0.00 46.19 44.80 3g9a s LEU 125 CO 0.05 0.11 -0.12 -0.75 -0.29 0.00 0.00 176.35 175.35 3g9a s LYS 126 N 0.18 1.83 -0.09 1.98 2.47 -0.29 -1.65 119.74 124.18 3g9a s LYS 126 Ca -0.05 -0.42 0.03 0.00 -1.56 0.00 0.00 55.97 53.97 3g9a s LYS 126 Cb -0.11 -1.64 -0.01 0.00 -1.46 0.00 0.00 37.83 34.61 3g9a s LYS 126 CO 0.02 -0.10 -0.19 0.20 0.16 0.00 0.00 175.35 175.44 3g9a s GLY 127 N 1.11 1.43 0.12 5.54 0.00 0.13 -0.29 107.32 115.36 3g9a s GLY 127 Ca -0.05 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 43.72 3g9a s GLY 127 CO -0.02 -0.46 -0.05 -0.26 0.00 0.00 0.00 173.10 172.31 3g9a s ILE 128 N -0.01 0.69 -1.58 0.90 -4.36 -0.81 -0.72 121.20 115.32 3g9a s ILE 128 Ca -0.06 -1.95 0.00 0.00 -0.26 0.00 0.00 60.65 58.38 3g9a s ILE 128 Cb -0.15 -1.78 0.00 0.00 1.25 0.00 0.00 42.46 41.78 3g9a s ILE 128 CO 0.05 -0.78 0.00 0.47 0.24 0.00 0.00 174.94 174.91 3g9a n ASP 129 N -0.09 -4.97 -4.84 4.36 8.00 -1.26 -1.98 116.55 115.77 3g9a n ASP 129 Ca -0.11 0.17 -0.32 0.00 0.71 0.00 0.00 54.79 55.24 3g9a n ASP 129 Cb 0.61 -4.02 -0.04 0.00 -0.02 0.00 0.00 41.12 37.65 3g9a n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3g9a s PHE 130 N -2.74 3.42 -0.14 1.24 0.08 -1.26 -2.86 117.98 115.71 3g9a s PHE 130 Ca 0.00 1.49 -0.21 0.00 0.12 0.00 0.00 56.93 58.33 3g9a s PHE 130 Cb 0.00 -2.80 -0.03 0.00 -0.57 0.00 0.00 43.02 39.62 3g9a s PHE 130 CO 0.00 -0.31 0.61 0.15 -0.10 0.00 0.00 175.22 175.58 3g9a s LYS 131 N -3.87 4.30 0.59 0.44 1.02 -1.26 -4.89 119.74 116.08 3g9a s LYS 131 Ca 0.59 0.65 0.30 0.00 0.02 0.00 0.00 55.97 57.54 3g9a s LYS 131 Cb -0.10 -3.51 1.81 0.00 -0.52 0.00 0.00 37.83 35.52 3g9a s LYS 131 CO 0.27 -0.06 2.24 0.93 -0.92 0.00 0.00 175.35 177.81 3g9a h GLU 132 N 7.11 0.00 -0.02 1.68 4.39 -1.96 -1.15 114.58 124.63 3g9a h GLU 132 Ca -0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.34 3g9a h GLU 132 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 3g9a h GLU 132 CO 0.76 0.02 -0.06 -3.47 -1.16 0.00 0.00 179.01 175.11 3g9a n ASP 133 N -3.76 1.64 -3.89 1.42 2.03 -1.26 -3.50 116.55 109.23 3g9a n ASP 133 Ca -0.03 -1.47 -0.23 0.00 0.52 0.00 0.00 54.79 53.58 3g9a n ASP 133 Cb 0.10 0.04 0.14 0.00 -0.72 0.00 0.00 41.12 40.69 3g9a n ASP 133 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3g9a n GLY 134 N 1.23 -0.53 0.22 0.27 0.00 -0.43 -4.78 105.19 101.18 3g9a n GLY 134 Ca 0.17 -1.84 0.08 0.00 0.00 0.00 0.00 46.02 44.42 3g9a n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3g9a h ASN 135 N -1.07 0.00 0.00 1.61 2.35 -1.93 -0.74 115.58 115.79 3g9a h ASN 135 Ca -0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 3g9a h ASN 135 Cb 1.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.41 3g9a h ASN 135 CO 0.28 0.24 -0.09 0.40 -1.65 0.00 0.00 177.43 176.60 3g9a h ILE 136 N 0.00 0.00 0.00 2.81 5.03 -1.93 -0.89 117.51 122.52 3g9a h ILE 136 Ca -0.00 -0.40 -0.02 0.00 -0.12 0.00 0.00 64.86 64.32 3g9a h ILE 136 Cb 0.51 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.30 3g9a h ILE 136 CO 0.03 0.00 -0.08 -0.07 -0.68 0.00 0.00 178.15 177.35 3g9a h LEU 137 N -0.40 0.00 -0.72 1.44 3.38 -1.73 -1.68 115.31 115.61 3g9a h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g9a h LEU 137 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3g9a h LEU 137 CO 0.00 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.22 3g9a n GLY 138 N -0.25 -0.22 3.66 0.83 0.00 -0.28 -4.94 105.19 103.99 3g9a n GLY 138 Ca -0.01 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 3g9a n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3g9a n HIS 139 N -0.11 -1.95 -0.12 1.61 8.25 -0.63 -4.92 115.22 117.35 3g9a n HIS 139 Ca 0.18 0.61 0.08 0.00 -0.26 0.00 0.00 57.72 58.32 3g9a n HIS 139 Cb 0.27 -3.73 0.19 0.00 1.12 0.00 0.00 29.99 27.83 3g9a n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3g9a n LYS 140 N -4.11 2.60 -3.18 -0.41 5.02 -0.35 -4.98 118.16 112.75 3g9a n LYS 140 Ca -0.15 -2.14 -0.37 0.00 -2.02 0.00 0.00 58.31 53.63 3g9a n LYS 140 Cb 0.62 -1.36 -0.06 0.00 -0.02 0.00 0.00 35.03 34.22 3g9a n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3g9a s LEU 141 N -1.03 4.40 0.64 -0.35 1.02 -1.25 -0.65 118.68 121.45 3g9a s LEU 141 Ca 0.30 1.33 -0.16 0.00 0.02 0.00 0.00 54.13 55.62 3g9a s LEU 141 Cb 0.16 -3.35 -0.01 0.00 0.02 0.00 0.00 46.19 43.00 3g9a s LEU 141 CO 0.21 0.11 1.11 -1.61 0.02 0.00 0.00 176.35 176.19 3g9a s GLU 142 N -1.72 2.93 -1.29 1.70 2.02 -0.19 -4.79 118.70 117.36 3g9a s GLU 142 Ca 0.38 1.41 -0.09 0.00 0.02 0.00 0.00 54.97 56.69 3g9a s GLU 142 Cb -0.17 -1.97 0.16 0.00 0.10 0.00 0.00 34.13 32.25 3g9a s GLU 142 CO 0.21 -1.15 1.90 0.98 0.02 0.00 0.00 175.26 177.22 3g9a n TYR 143 N -2.21 2.93 -3.73 1.61 9.36 -1.26 -4.84 117.16 119.02 3g9a n TYR 143 Ca 0.10 -2.79 -0.08 0.00 3.32 0.00 0.00 57.90 58.45 3g9a n TYR 143 Cb 0.52 -1.96 -0.00 0.00 -0.63 0.00 0.00 39.34 37.26 3g9a n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3g9a n ASN 144 N 3.90 -1.16 -3.64 2.98 0.23 -1.26 -4.85 115.26 111.47 3g9a n ASN 144 Ca 0.40 -2.16 -0.10 0.00 -0.53 0.00 0.00 54.58 52.20 3g9a n ASN 144 Cb 0.36 2.03 -0.07 0.00 -2.08 0.00 0.00 39.78 40.02 3g9a n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3g9a s TYR 145 N -4.05 -0.96 0.45 -2.53 5.04 -1.26 -4.87 117.35 109.17 3g9a s TYR 145 Ca 0.15 2.06 -0.02 0.00 -2.44 0.00 0.00 57.07 56.82 3g9a s TYR 145 Cb -0.02 0.49 -0.02 0.00 0.35 0.00 0.00 41.96 42.77 3g9a s TYR 145 CO 0.11 -0.47 0.70 -0.80 -1.34 0.00 0.00 175.55 173.75 3g9a s ASN 146 N 1.14 6.01 0.32 4.32 0.01 -1.26 -4.69 114.94 120.78 3g9a s ASN 146 Ca -0.06 0.54 -0.28 0.00 -0.71 0.00 0.00 52.86 52.35 3g9a s ASN 146 Cb -0.05 -1.85 -0.09 0.00 0.41 0.00 0.00 41.25 39.67 3g9a s ASN 146 CO -0.12 -0.63 1.10 -0.55 -1.51 0.00 0.00 177.10 175.40 3g9a s SER 147 N -4.16 7.08 0.02 -1.22 0.15 -1.26 -4.57 113.70 109.74 3g9a s SER 147 Ca 0.47 2.25 -0.06 0.00 0.70 0.00 0.00 55.95 59.31 3g9a s SER 147 Cb -0.10 -2.62 -0.01 0.00 -1.71 0.00 0.00 66.02 61.59 3g9a s SER 147 CO 0.40 -0.28 0.11 -1.00 1.20 0.00 0.00 173.24 173.67 3g9a s HIS 148 N -1.28 0.12 0.02 3.44 3.76 -0.52 -4.99 115.29 115.84 3g9a s HIS 148 Ca 0.48 -0.30 -0.05 0.00 -0.15 0.00 0.00 55.06 55.05 3g9a s HIS 148 Cb -0.30 -0.09 -0.05 0.00 1.11 0.00 0.00 32.58 33.25 3g9a s HIS 148 CO 0.39 -0.30 0.25 -0.80 -0.85 0.00 0.00 174.74 173.43 3g9a s ASN 149 N -1.64 6.45 -0.23 1.40 0.01 -1.26 -0.89 114.94 118.78 3g9a s ASN 149 Ca -0.12 0.48 -0.03 0.00 -0.71 0.00 0.00 52.86 52.49 3g9a s ASN 149 Cb -0.06 -2.06 0.01 0.00 0.41 0.00 0.00 41.25 39.55 3g9a s ASN 149 CO -0.01 0.22 -0.05 -0.69 -1.51 0.00 0.00 177.10 175.07 3g9a s VAL 150 N -1.37 3.17 -0.33 1.60 1.01 0.06 -4.76 120.40 119.78 3g9a s VAL 150 Ca 0.30 -0.71 -0.16 0.00 0.00 0.00 0.00 61.98 61.41 3g9a s VAL 150 Cb -0.13 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 3g9a s VAL 150 CO 0.19 0.33 0.41 -0.31 0.00 0.00 0.00 175.10 175.72 3g9a s TYR 151 N 1.42 3.21 -0.16 5.22 2.02 -0.86 -1.03 117.35 127.16 3g9a s TYR 151 Ca 0.04 0.11 -0.06 0.00 -0.37 0.00 0.00 57.07 56.78 3g9a s TYR 151 Cb -0.15 -2.74 -0.04 0.00 -0.40 0.00 0.00 41.96 38.63 3g9a s TYR 151 CO -0.04 -0.44 0.06 0.42 -1.57 0.00 0.00 175.55 173.98 3g9a s ILE 152 N 2.15 4.75 0.06 2.71 1.01 0.21 -1.53 121.20 130.57 3g9a s ILE 152 Ca 0.15 -0.06 0.07 0.00 0.00 0.00 0.00 60.65 60.80 3g9a s ILE 152 Cb -0.16 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 3g9a s ILE 152 CO 0.12 0.51 -0.18 0.42 0.00 0.00 0.00 174.94 175.80 3g9a s THR 153 N -0.01 1.45 0.55 2.92 -4.23 -0.48 -2.68 115.64 113.16 3g9a s THR 153 Ca 0.06 -1.26 -0.17 0.00 -1.18 0.00 0.00 61.69 59.14 3g9a s THR 153 Cb -0.12 -1.31 -0.06 0.00 1.34 0.00 0.00 72.50 72.35 3g9a s THR 153 CO 0.01 0.01 1.03 0.00 -0.54 0.00 0.00 174.62 175.13 3g9a s ALA 154 N -0.99 2.87 -0.55 3.99 0.00 -1.26 -0.70 121.76 125.11 3g9a s ALA 154 Ca 0.04 0.34 0.06 0.00 0.00 0.00 0.00 51.96 52.41 3g9a s ALA 154 Cb -0.09 -3.19 0.22 0.00 0.00 0.00 0.00 23.12 20.05 3g9a s ALA 154 CO 0.02 -0.55 0.56 -3.47 0.00 0.00 0.00 175.76 172.32 3g9a n ASP 155 N -1.75 1.94 -0.31 0.00 -0.08 0.23 -4.67 116.55 111.92 3g9a n ASP 155 Ca 0.08 -3.01 0.18 0.00 -1.51 0.00 0.00 54.79 50.53 3g9a n ASP 155 Cb 0.53 -0.66 0.44 0.00 2.34 0.00 0.00 41.12 43.77 3g9a n ASP 155 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3g9a h LYS 156 N 4.66 0.52 -0.58 -0.67 6.56 -1.96 -1.43 116.57 123.67 3g9a h LYS 156 Ca 0.17 -0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.73 3g9a h LYS 156 Cb 0.78 -0.12 -0.03 0.00 -0.57 0.00 0.00 32.23 32.29 3g9a h LYS 156 CO 0.63 0.34 0.36 1.96 -2.06 0.00 0.00 179.45 180.69 3g9a h GLN 157 N 0.53 0.78 -0.49 3.15 4.20 -1.93 -1.81 115.11 119.54 3g9a h GLN 157 Ca 0.56 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.21 3g9a h GLN 157 Cb 1.20 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.81 3g9a h GLN 157 CO -0.30 0.53 0.00 1.63 -0.67 0.00 0.00 178.83 180.02 3g9a n LYS 158 N -4.43 2.55 -3.68 1.46 4.76 -0.60 -4.95 118.16 113.27 3g9a n LYS 158 Ca 0.06 -2.37 -0.27 0.00 -2.87 0.00 0.00 58.31 52.86 3g9a n LYS 158 Cb 0.06 -1.51 0.04 0.00 -1.84 0.00 0.00 35.03 31.79 3g9a n LYS 158 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3g9a n ASN 159 N 1.45 -5.40 0.00 4.39 5.15 -0.68 -4.62 115.26 115.55 3g9a n ASN 159 Ca 0.20 -0.62 0.00 0.00 -0.60 0.00 0.00 54.58 53.56 3g9a n ASN 159 Cb 0.59 -4.30 0.00 0.00 -0.53 0.00 0.00 39.78 35.54 3g9a n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3g9a n GLY 160 N -1.74 4.59 3.24 8.20 0.00 -0.94 -4.36 105.19 114.18 3g9a n GLY 160 Ca 0.01 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 3g9a n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3g9a s ILE 161 N -0.03 0.43 0.25 -0.61 -4.36 -0.80 -0.60 121.20 115.48 3g9a s ILE 161 Ca 0.00 -1.97 0.06 0.00 -0.26 0.00 0.00 60.65 58.47 3g9a s ILE 161 Cb 0.00 -2.29 -0.05 0.00 1.25 0.00 0.00 42.46 41.37 3g9a s ILE 161 CO 0.00 -0.29 -0.05 -0.54 0.24 0.00 0.00 174.94 174.30 3g9a s LYS 162 N -4.01 1.42 0.04 0.37 1.02 0.12 -1.09 119.74 117.61 3g9a s LYS 162 Ca 0.29 -1.70 -0.11 0.00 0.02 0.00 0.00 55.97 54.48 3g9a s LYS 162 Cb 0.07 -0.94 0.01 0.00 -0.52 0.00 0.00 37.83 36.45 3g9a s LYS 162 CO 0.07 0.01 0.22 0.00 -0.92 0.00 0.00 175.35 174.74 3g9a s ALA 163 N -3.16 -0.45 0.04 5.17 0.00 -0.07 -1.38 121.76 121.91 3g9a s ALA 163 Ca 0.27 -0.19 -0.08 0.00 0.00 0.00 0.00 51.96 51.96 3g9a s ALA 163 Cb 0.04 0.28 -0.00 0.00 0.00 0.00 0.00 23.12 23.44 3g9a s ALA 163 CO 0.09 -0.37 0.15 0.54 0.00 0.00 0.00 175.76 176.18 3g9a s ASN 164 N -2.05 0.09 0.00 0.00 4.22 -0.58 -0.83 114.94 115.79 3g9a s ASN 164 Ca -0.05 -0.43 0.00 0.00 -2.14 0.00 0.00 52.86 50.24 3g9a s ASN 164 Cb -0.01 0.26 0.00 0.00 1.28 0.00 0.00 41.25 42.78 3g9a s ASN 164 CO -0.03 -0.52 0.00 2.22 -2.04 0.00 0.00 177.10 176.72 3g9a n PHE 165 N 0.77 0.00 -4.84 1.54 1.16 -1.12 -2.03 117.46 112.94 3g9a n PHE 165 Ca -0.19 0.00 -0.28 0.00 -1.87 0.00 0.00 57.45 55.11 3g9a n PHE 165 Cb 0.58 0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 38.31 3g9a n PHE 165 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 3g9a s LYS 166 N -2.00 1.66 -0.16 3.97 1.02 -1.26 -0.30 119.74 122.68 3g9a s LYS 166 Ca 0.00 -1.02 -0.08 0.00 0.02 0.00 0.00 55.97 54.89 3g9a s LYS 166 Cb 0.00 -1.79 -0.04 0.00 -0.52 0.00 0.00 37.83 35.48 3g9a s LYS 166 CO 0.00 0.46 0.13 0.42 -0.92 0.00 0.00 175.35 175.44 3g9a s ILE 167 N -0.77 5.41 -0.41 2.17 -1.09 -0.16 -4.93 121.20 121.42 3g9a s ILE 167 Ca 0.10 0.18 -0.15 0.00 -2.23 0.00 0.00 60.65 58.55 3g9a s ILE 167 Cb -0.09 -3.41 0.02 0.00 -1.58 0.00 0.00 42.46 37.40 3g9a s ILE 167 CO 0.02 0.53 0.29 -0.13 -1.23 0.00 0.00 174.94 174.42 3g9a s ARG 168 N -0.37 2.95 -0.28 2.79 0.52 -1.26 -0.92 118.95 122.39 3g9a s ARG 168 Ca 0.11 -1.03 -0.14 0.00 -0.52 0.00 0.00 55.73 54.15 3g9a s ARG 168 Cb -0.12 -3.96 -0.04 0.00 0.52 0.00 0.00 34.95 31.36 3g9a s ARG 168 CO 0.01 -0.75 0.34 -1.01 0.02 0.00 0.00 175.30 173.92 3g9a s HIS 169 N 1.67 3.24 0.22 -0.53 3.76 0.12 -4.55 115.29 119.22 3g9a s HIS 169 Ca 0.05 0.32 -0.30 0.00 -0.15 0.00 0.00 55.06 54.98 3g9a s HIS 169 Cb -0.19 -2.55 -0.10 0.00 1.11 0.00 0.00 32.58 30.85 3g9a s HIS 169 CO 0.10 -0.24 1.40 -0.80 -0.85 0.00 0.00 174.74 174.36 3g9a s ASN 170 N 1.67 6.73 0.10 1.40 0.01 -1.26 -0.54 114.94 123.05 3g9a s ASN 170 Ca 0.13 2.57 0.01 0.00 -0.71 0.00 0.00 52.86 54.87 3g9a s ASN 170 Cb -0.16 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 38.85 3g9a s ASN 170 CO 0.10 -0.65 0.24 -0.63 -1.51 0.00 0.00 177.10 174.65 3g9a s ILE 171 N 0.13 5.34 0.60 0.60 -1.09 0.52 -1.02 121.20 126.27 3g9a s ILE 171 Ca 0.59 -0.54 0.30 0.00 -2.23 0.00 0.00 60.65 58.77 3g9a s ILE 171 Cb -0.40 -3.67 0.36 0.00 -1.58 0.00 0.00 42.46 37.17 3g9a s ILE 171 CO 0.41 0.03 2.21 1.05 -1.23 0.00 0.00 174.94 177.41 3g9a h GLU 172 N 2.63 0.00 -0.31 2.79 4.11 -1.18 -1.21 114.58 121.41 3g9a h GLU 172 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3g9a h GLU 172 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3g9a h GLU 172 CO 0.72 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.40 3g9a n ASP 173 N -3.77 2.36 0.00 3.06 5.68 -1.26 -4.91 116.55 117.71 3g9a n ASP 173 Ca -0.02 -1.87 0.00 0.00 -0.50 0.00 0.00 54.79 52.41 3g9a n ASP 173 Cb 0.16 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 3g9a n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3g9a n GLY 174 N 1.26 0.48 3.35 6.12 0.00 -0.46 -5.08 105.19 110.86 3g9a n GLY 174 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 3g9a n GLY 174 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3g9a n SER 175 N 0.00 0.41 -4.14 1.61 3.41 -1.25 -4.82 113.62 108.84 3g9a n SER 175 Ca 0.00 -1.59 -0.24 0.00 -0.26 0.00 0.00 58.87 56.78 3g9a n SER 175 Cb 0.00 -0.79 -0.15 0.00 -0.26 0.00 0.00 64.21 63.01 3g9a n SER 175 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3g9a s VAL 176 N -3.26 1.31 -0.22 -3.33 1.01 -1.26 -0.36 120.40 114.29 3g9a s VAL 176 Ca 0.63 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 3g9a s VAL 176 Cb -0.02 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 3g9a s VAL 176 CO 0.43 0.37 0.02 -1.58 0.00 0.00 0.00 175.10 174.35 3g9a s GLN 177 N -0.28 3.60 0.15 2.72 2.00 0.30 -4.92 119.66 123.22 3g9a s GLN 177 Ca 0.04 -0.52 -0.19 0.00 -2.00 0.00 0.00 55.36 52.70 3g9a s GLN 177 Cb -0.08 -3.17 -0.07 0.00 0.80 0.00 0.00 33.01 30.49 3g9a s GLN 177 CO -0.00 -0.11 0.63 -0.51 -0.50 0.00 0.00 175.29 174.81 3g9a s LEU 178 N 1.34 4.42 -0.29 3.68 1.43 -1.26 -0.70 118.68 127.30 3g9a s LEU 178 Ca 0.04 1.30 0.00 0.00 -1.03 0.00 0.00 54.13 54.44 3g9a s LEU 178 Cb -0.15 -3.26 0.09 0.00 0.03 0.00 0.00 46.19 42.90 3g9a s LEU 178 CO 0.02 0.14 0.05 0.00 0.23 0.00 0.00 176.35 176.79 3g9a s ALA 179 N -1.35 1.78 0.04 4.21 0.00 -0.09 -1.52 121.76 124.83 3g9a s ALA 179 Ca 0.37 -1.63 -0.30 0.00 0.00 0.00 0.00 51.96 50.39 3g9a s ALA 179 Cb -0.18 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 3g9a s ALA 179 CO 0.20 -1.52 1.08 0.34 0.00 0.00 0.00 175.76 175.86 3g9a s ASP 180 N 1.49 7.25 -0.17 0.00 2.15 -0.20 -0.99 116.67 126.19 3g9a s ASP 180 Ca 0.06 1.84 -0.02 0.00 0.43 0.00 0.00 52.55 54.86 3g9a s ASP 180 Cb -0.18 -2.58 -0.01 0.00 -0.30 0.00 0.00 42.92 39.85 3g9a s ASP 180 CO -0.17 -0.34 -0.09 -1.00 -0.17 0.00 0.00 175.17 173.41 3g9a s HIS 181 N 0.93 2.89 -0.14 -5.34 3.76 0.59 -0.71 115.29 117.27 3g9a s HIS 181 Ca 0.55 -0.78 -0.03 0.00 -0.15 0.00 0.00 55.06 54.64 3g9a s HIS 181 Cb -0.25 -1.97 -0.03 0.00 1.11 0.00 0.00 32.58 31.45 3g9a s HIS 181 CO 0.29 -0.36 -0.04 -0.47 -0.85 0.00 0.00 174.74 173.31 3g9a s TYR 182 N 0.86 3.02 -0.01 1.40 5.04 -0.40 -2.80 117.35 124.45 3g9a s TYR 182 Ca -0.03 -0.26 0.02 0.00 -2.44 0.00 0.00 57.07 54.37 3g9a s TYR 182 Cb -0.15 -1.93 -0.00 0.00 0.35 0.00 0.00 41.96 40.23 3g9a s TYR 182 CO 0.01 0.01 -0.07 -1.14 -1.34 0.00 0.00 175.55 173.02 3g9a s GLN 183 N 0.20 0.68 0.00 4.97 0.74 -0.01 -1.61 119.66 124.63 3g9a s GLN 183 Ca -0.02 -0.26 0.02 0.00 0.05 0.00 0.00 55.36 55.15 3g9a s GLN 183 Cb -0.14 -0.66 -0.01 0.00 1.10 0.00 0.00 33.01 33.31 3g9a s GLN 183 CO 0.03 0.13 -0.08 1.14 -0.55 0.00 0.00 175.29 175.96 3g9a s GLN 184 N -0.01 0.61 -0.07 1.67 -2.07 0.09 -0.90 119.66 118.99 3g9a s GLN 184 Ca 0.00 -0.33 0.02 0.00 -1.82 0.00 0.00 55.36 53.23 3g9a s GLN 184 Cb -0.05 -0.57 0.01 0.00 -1.09 0.00 0.00 33.01 31.31 3g9a s GLN 184 CO -0.00 0.15 -0.13 -0.80 -1.32 0.00 0.00 175.29 173.19 3g9a s ASN 185 N -0.35 1.86 -0.03 12.60 -0.87 -0.25 -0.67 114.94 127.24 3g9a s ASN 185 Ca 0.02 -0.32 0.03 0.00 -1.57 0.00 0.00 52.86 51.02 3g9a s ASN 185 Cb -0.04 -0.86 0.00 0.00 -0.02 0.00 0.00 41.25 40.33 3g9a s ASN 185 CO -0.00 0.04 -0.10 -0.89 -2.57 0.00 0.00 177.10 173.57 3g9a s THR 186 N 0.66 0.90 0.48 1.60 2.01 -0.56 -1.90 115.64 118.83 3g9a s THR 186 Ca -0.15 -0.42 -0.23 0.00 0.31 0.00 0.00 61.69 61.20 3g9a s THR 186 Cb -0.16 -0.79 -0.07 0.00 0.01 0.00 0.00 72.50 71.49 3g9a s THR 186 CO 0.04 0.27 1.30 -2.84 -0.69 0.00 0.00 174.62 172.70 3g9a s PRO 187 N 0.16 3.53 -0.00 4.92 0.02 -1.26 -0.04 135.00 142.32 3g9a s PRO 187 Ca -0.03 2.11 -0.18 0.00 0.02 0.00 0.00 61.00 62.92 3g9a s PRO 187 Cb -0.09 -2.44 -0.34 0.00 0.02 0.00 0.00 34.50 31.65 3g9a s PRO 187 CO 0.01 -0.84 0.94 0.82 -0.33 0.00 0.00 177.00 177.60 3g9a h ILE 188 N 1.85 1.34 -4.31 2.83 2.04 -1.35 -3.44 117.51 116.47 3g9a h ILE 188 Ca -0.50 -2.63 -0.47 0.00 1.00 0.00 0.00 64.86 62.25 3g9a h ILE 188 Cb 1.27 3.08 0.12 0.00 -0.74 0.00 0.00 36.82 40.55 3g9a h ILE 188 CO 0.59 0.78 0.33 -0.83 0.00 0.00 0.00 178.15 179.02 3g9a s GLY 189 N -4.57 1.60 0.00 5.37 0.00 -1.26 -4.98 107.32 103.47 3g9a s GLY 189 Ca -0.11 -0.41 0.21 0.00 0.00 0.00 0.00 44.72 44.41 3g9a s GLY 189 CO 0.90 0.08 1.28 2.09 0.00 0.00 0.00 173.10 177.46 3g9a n ASP 190 N -3.55 3.12 -3.20 1.64 5.68 -1.26 -4.99 116.55 113.98 3g9a n ASP 190 Ca 0.07 -1.93 -0.19 0.00 -0.50 0.00 0.00 54.79 52.24 3g9a n ASP 190 Cb 0.58 -0.14 0.13 0.00 -1.14 0.00 0.00 41.12 40.55 3g9a n ASP 190 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3g9a n GLY 191 N 1.29 -1.47 3.78 6.12 0.00 -1.26 -5.02 105.19 108.64 3g9a n GLY 191 Ca 0.16 -1.68 -0.36 0.00 0.00 0.00 0.00 46.02 44.14 3g9a n GLY 191 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3g9a s PRO 192 N -4.83 4.01 0.24 1.61 0.02 -1.26 -5.06 135.00 129.73 3g9a s PRO 192 Ca 0.48 1.53 0.03 0.00 0.02 0.00 0.00 61.00 63.06 3g9a s PRO 192 Cb -0.01 -2.42 -0.05 0.00 0.02 0.00 0.00 34.50 32.03 3g9a s PRO 192 CO 0.34 -0.28 0.03 0.14 -0.33 0.00 0.00 177.00 176.90 3g9a s VAL 193 N -1.70 0.87 -0.13 3.83 -7.23 -1.26 -4.80 120.40 109.98 3g9a s VAL 193 Ca 0.61 -2.01 -0.21 0.00 -1.81 0.00 0.00 61.98 58.55 3g9a s VAL 193 Cb -0.22 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 3g9a s VAL 193 CO 0.27 -0.21 0.62 -0.76 -0.31 0.00 0.00 175.10 174.72 3g9a s LEU 194 N -3.31 4.25 -0.26 1.32 1.43 -1.26 -5.05 118.68 115.79 3g9a s LEU 194 Ca 0.32 0.98 -0.09 0.00 -1.03 0.00 0.00 54.13 54.30 3g9a s LEU 194 Cb 0.07 -2.92 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 3g9a s LEU 194 CO 0.10 -0.14 0.13 -0.76 0.23 0.00 0.00 176.35 175.91 3g9a s LEU 195 N 1.15 3.79 0.50 1.79 1.43 -1.26 -4.08 118.68 122.01 3g9a s LEU 195 Ca 0.32 -0.07 -0.06 0.00 -1.03 0.00 0.00 54.13 53.29 3g9a s LEU 195 Cb -0.16 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 3g9a s LEU 195 CO 0.13 -0.02 0.83 -2.16 0.23 0.00 0.00 176.35 175.36 3g9a s PRO 196 N 1.55 3.55 0.77 1.29 0.04 -1.26 -4.90 135.00 136.03 3g9a s PRO 196 Ca 0.06 0.29 -0.12 0.00 0.04 0.00 0.00 61.00 61.28 3g9a s PRO 196 Cb -0.15 -2.33 0.05 0.00 0.04 0.00 0.00 34.50 32.11 3g9a s PRO 196 CO 0.07 -0.27 1.12 -0.51 0.04 0.00 0.00 177.00 177.46 3g9a s ASP 197 N -4.12 4.86 0.30 6.66 1.01 -1.26 -4.27 116.67 119.85 3g9a s ASP 197 Ca 0.49 1.06 -0.30 0.00 0.71 0.00 0.00 52.55 54.51 3g9a s ASP 197 Cb -0.10 -1.75 -0.12 0.00 1.01 0.00 0.00 42.92 41.96 3g9a s ASP 197 CO 0.46 -1.71 1.57 0.59 0.21 0.00 0.00 175.17 176.29 3g9a n ASN 198 N -3.23 3.77 -2.75 0.27 3.02 -1.26 -4.85 115.26 110.23 3g9a n ASN 198 Ca 0.07 1.16 -0.06 0.00 -0.03 0.00 0.00 54.58 55.72 3g9a n ASN 198 Cb 0.58 -1.59 0.02 0.00 -0.61 0.00 0.00 39.78 38.19 3g9a n ASN 198 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g9a n HIS 199 N 1.89 -1.88 -4.17 3.10 1.44 -1.09 -4.81 115.22 109.71 3g9a n HIS 199 Ca 0.08 -1.46 -0.11 0.00 -2.01 0.00 0.00 57.72 54.22 3g9a n HIS 199 Cb 0.37 0.73 -0.10 0.00 0.12 0.00 0.00 29.99 31.10 3g9a n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 3g9a s TYR 200 N -2.80 0.90 -0.21 -1.40 -0.85 -0.71 -0.62 117.35 111.67 3g9a s TYR 200 Ca 0.16 -0.88 -0.06 0.00 -0.52 0.00 0.00 57.07 55.77 3g9a s TYR 200 Cb -0.04 -0.52 -0.03 0.00 0.38 0.00 0.00 41.96 41.75 3g9a s TYR 200 CO 0.08 -0.13 0.04 -0.51 -1.52 0.00 0.00 175.55 173.51 3g9a s LEU 201 N -2.97 3.49 -0.24 -3.49 1.43 -0.20 -0.57 118.68 116.14 3g9a s LEU 201 Ca 0.11 -0.11 -0.18 0.00 -1.03 0.00 0.00 54.13 52.92 3g9a s LEU 201 Cb 0.04 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 3g9a s LEU 201 CO -0.04 0.07 0.51 -0.55 0.23 0.00 0.00 176.35 176.57 3g9a s SER 202 N 0.98 6.48 -0.09 2.29 0.15 0.79 -0.76 113.70 123.54 3g9a s SER 202 Ca 0.03 0.58 0.02 0.00 0.70 0.00 0.00 55.95 57.27 3g9a s SER 202 Cb -0.14 -2.28 0.02 0.00 -1.71 0.00 0.00 66.02 61.90 3g9a s SER 202 CO 0.02 -0.24 -0.13 -0.89 1.20 0.00 0.00 173.24 173.21 3g9a s THR 203 N 2.01 1.32 -0.09 6.45 2.01 -0.07 -1.44 115.64 125.84 3g9a s THR 203 Ca 0.22 -0.55 0.03 0.00 0.31 0.00 0.00 61.69 61.71 3g9a s THR 203 Cb -0.15 -1.22 -0.01 0.00 0.01 0.00 0.00 72.50 71.12 3g9a s THR 203 CO 0.09 0.40 -0.20 -1.10 -0.69 0.00 0.00 174.62 173.13 3g9a s GLN 204 N 0.95 2.89 -0.03 4.92 1.11 -0.46 -1.44 119.66 127.59 3g9a s GLN 204 Ca -0.08 -0.80 0.03 0.00 0.01 0.00 0.00 55.36 54.51 3g9a s GLN 204 Cb -0.15 -2.36 0.00 0.00 -1.01 0.00 0.00 33.01 29.49 3g9a s GLN 204 CO -0.00 0.33 -0.11 -1.12 0.01 0.00 0.00 175.29 174.40 3g9a s SER 205 N -0.00 1.43 -0.10 5.90 0.01 -1.26 -1.15 113.70 118.53 3g9a s SER 205 Ca -0.06 -0.23 0.03 0.00 1.31 0.00 0.00 55.95 57.00 3g9a s SER 205 Cb -0.15 -0.39 0.01 0.00 0.21 0.00 0.00 66.02 65.70 3g9a s SER 205 CO 0.05 0.08 -0.19 0.00 0.41 0.00 0.00 173.24 173.59 3g9a s ALA 206 N 0.18 1.86 -0.10 1.44 0.00 0.37 -4.49 121.76 121.02 3g9a s ALA 206 Ca -0.04 -0.80 -0.03 0.00 0.00 0.00 0.00 51.96 51.10 3g9a s ALA 206 Cb -0.09 -0.78 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 3g9a s ALA 206 CO 0.01 0.13 0.01 -0.51 0.00 0.00 0.00 175.76 175.40 3g9a s LEU 207 N 0.62 3.63 0.00 0.00 1.43 -1.26 -1.50 118.68 121.59 3g9a s LEU 207 Ca -0.14 0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.09 3g9a s LEU 207 Cb -0.16 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.22 3g9a s LEU 207 CO 0.04 0.36 0.36 -1.54 0.23 0.00 0.00 176.35 175.80 3g9a n SER 208 N 2.27 -1.00 -4.23 2.29 3.41 -0.01 -4.93 113.62 111.43 3g9a n SER 208 Ca -0.19 -2.30 -0.23 0.00 -0.26 0.00 0.00 58.87 55.90 3g9a n SER 208 Cb 0.54 1.84 -0.13 0.00 -0.26 0.00 0.00 64.21 66.19 3g9a n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3g9a s LYS 209 N -2.51 1.14 -0.33 4.33 -0.14 -1.26 -1.50 119.74 119.46 3g9a s LYS 209 Ca 0.19 -0.97 -0.26 0.00 -1.36 0.00 0.00 55.97 53.58 3g9a s LYS 209 Cb -0.01 -1.26 0.01 0.00 -1.68 0.00 0.00 37.83 34.89 3g9a s LYS 209 CO 0.14 0.31 0.91 0.34 -0.76 0.00 0.00 175.35 176.28 3g9a s ASP 210 N -1.45 6.73 0.62 2.83 -1.08 -1.26 -4.93 116.67 118.12 3g9a s ASP 210 Ca 0.05 0.71 0.35 0.00 -0.52 0.00 0.00 52.55 53.13 3g9a s ASP 210 Cb -0.09 -2.46 2.00 0.00 -1.46 0.00 0.00 42.92 40.91 3g9a s ASP 210 CO 0.02 -0.77 2.26 1.55 0.52 0.00 0.00 175.17 178.75 3g9a h PRO 211 N 8.26 0.00 -0.65 4.34 0.13 -2.04 -1.00 132.00 141.04 3g9a h PRO 211 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3g9a h PRO 211 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3g9a h PRO 211 CO 0.96 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.82 3g9a n ASN 212 N -3.55 3.63 -4.45 1.44 5.03 -1.26 -4.90 115.26 111.20 3g9a n ASN 212 Ca -0.02 -2.07 -0.36 0.00 0.87 0.00 0.00 54.58 52.99 3g9a n ASN 212 Cb 0.12 -0.46 -0.12 0.00 -1.02 0.00 0.00 39.78 38.30 3g9a n ASN 212 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 3g9a s GLU 213 N -1.26 3.66 0.15 3.52 2.56 -0.38 -4.97 118.70 121.99 3g9a s GLU 213 Ca 0.44 -0.48 0.19 0.00 0.00 0.00 0.00 54.97 55.12 3g9a s GLU 213 Cb 0.24 -3.29 -0.04 0.00 2.00 0.00 0.00 34.13 33.03 3g9a s GLU 213 CO 0.28 -0.14 0.99 0.87 -0.56 0.00 0.00 175.26 176.70 3g9a h LYS 214 N 8.08 0.00 -7.36 4.30 6.56 -1.90 -3.47 116.57 122.78 3g9a h LYS 214 Ca -0.38 0.00 -0.50 0.00 -1.06 0.00 0.00 60.65 58.71 3g9a h LYS 214 Cb 1.17 0.00 0.11 0.00 -0.57 0.00 0.00 32.23 32.95 3g9a h LYS 214 CO 0.59 0.17 0.33 1.03 -2.06 0.00 0.00 179.45 179.51 3g9a s ARG 215 N -3.12 2.29 0.02 3.15 0.52 -1.26 -4.98 118.95 115.57 3g9a s ARG 215 Ca -0.01 0.87 -0.30 0.00 -0.52 0.00 0.00 55.73 55.76 3g9a s ARG 215 Cb 0.09 -1.92 -0.05 0.00 0.52 0.00 0.00 34.95 33.58 3g9a s ARG 215 CO 0.79 -1.53 1.28 0.34 0.02 0.00 0.00 175.30 176.20 3g9a s ASP 216 N -3.71 6.98 0.27 0.23 2.15 -1.26 -4.97 116.67 116.35 3g9a s ASP 216 Ca 0.60 2.03 -0.21 0.00 0.43 0.00 0.00 52.55 55.40 3g9a s ASP 216 Cb -0.15 -2.57 0.03 0.00 -0.30 0.00 0.00 42.92 39.93 3g9a s ASP 216 CO 0.55 -0.59 0.78 -1.38 -0.17 0.00 0.00 175.17 174.36 3g9a s HIS 217 N 1.74 -0.14 -0.05 -5.34 -3.43 -1.26 -1.45 115.29 105.35 3g9a s HIS 217 Ca 0.60 -0.31 -0.03 0.00 -0.80 0.00 0.00 55.06 54.53 3g9a s HIS 217 Cb -0.30 0.71 0.03 0.00 -1.43 0.00 0.00 32.58 31.60 3g9a s HIS 217 CO 0.27 -1.19 0.12 1.41 -2.00 0.00 0.00 174.74 173.35 3g9a s MET 218 N -3.62 0.09 -0.21 -0.38 1.75 -0.21 -4.96 119.30 111.74 3g9a s MET 218 Ca 0.12 0.30 -0.10 0.00 -1.25 0.00 0.00 55.69 54.76 3g9a s MET 218 Cb -0.05 -0.13 -0.05 0.00 2.84 0.00 0.00 34.83 37.44 3g9a s MET 218 CO 0.07 -0.13 0.14 0.08 -0.65 0.00 0.00 175.02 174.52 3g9a s VAL 219 N 0.89 5.35 -0.13 10.11 1.01 -0.56 -0.60 120.40 136.47 3g9a s VAL 219 Ca -0.07 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.11 3g9a s VAL 219 Cb -0.09 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.84 3g9a s VAL 219 CO -0.04 0.41 -0.22 -0.22 0.00 0.00 0.00 175.10 175.03 3g9a s LEU 220 N 0.63 2.07 -0.19 3.92 2.96 0.72 -0.83 118.68 127.96 3g9a s LEU 220 Ca 0.08 -0.58 -0.02 0.00 -0.22 0.00 0.00 54.13 53.38 3g9a s LEU 220 Cb -0.12 -1.41 -0.00 0.00 0.50 0.00 0.00 46.19 45.16 3g9a s LEU 220 CO 0.01 0.08 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.79 3g9a s LEU 221 N 0.78 2.63 0.01 -0.68 2.96 -0.56 -1.22 118.68 122.60 3g9a s LEU 221 Ca -0.08 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.39 3g9a s LEU 221 Cb -0.16 -1.63 -0.01 0.00 0.50 0.00 0.00 46.19 44.89 3g9a s LEU 221 CO -0.01 0.02 -0.06 -0.70 -1.32 0.00 0.00 176.35 174.29 3g9a s GLU 222 N 1.20 0.44 -0.07 1.98 2.12 -0.35 -0.48 118.70 123.55 3g9a s GLU 222 Ca 0.02 -0.40 0.04 0.00 0.36 0.00 0.00 54.97 54.99 3g9a s GLU 222 Cb -0.14 -0.33 0.00 0.00 0.26 0.00 0.00 34.13 33.92 3g9a s GLU 222 CO -0.04 0.08 -0.18 -0.06 -0.54 0.00 0.00 175.26 174.52 3g9a s PHE 223 N -0.62 1.93 -0.08 5.30 0.08 -0.30 -0.46 117.98 123.84 3g9a s PHE 223 Ca -0.03 -0.69 0.01 0.00 0.12 0.00 0.00 56.93 56.34 3g9a s PHE 223 Cb -0.05 -1.33 0.02 0.00 -0.57 0.00 0.00 43.02 41.09 3g9a s PHE 223 CO 0.00 -0.29 -0.09 0.08 -0.10 0.00 0.00 175.22 174.82 3g9a s VAL 224 N 0.34 0.99 -0.06 -0.44 1.01 0.22 -1.36 120.40 121.10 3g9a s VAL 224 Ca -0.12 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.52 3g9a s VAL 224 Cb -0.15 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.29 3g9a s VAL 224 CO 0.05 0.34 -0.04 -0.89 0.00 0.00 0.00 175.10 174.56 3g9a s THR 225 N 1.10 0.56 0.38 3.92 2.01 -0.52 -0.87 115.64 122.23 3g9a s THR 225 Ca -0.07 -0.10 -0.25 0.00 0.31 0.00 0.00 61.69 61.58 3g9a s THR 225 Cb -0.14 -0.61 -0.09 0.00 0.01 0.00 0.00 72.50 71.67 3g9a s THR 225 CO -0.01 0.25 1.09 0.00 -0.69 0.00 0.00 174.62 175.25 3g9a s ALA 226 N 1.18 3.14 0.37 7.40 0.00 -0.01 -0.15 121.76 133.69 3g9a s ALA 226 Ca -0.07 0.80 -0.12 0.00 0.00 0.00 0.00 51.96 52.57 3g9a s ALA 226 Cb -0.14 -3.31 0.04 0.00 0.00 0.00 0.00 23.12 19.71 3g9a s ALA 226 CO -0.01 -0.30 0.70 0.00 0.00 0.00 0.00 175.76 176.15 3g9a s ALA 227 N -1.52 -0.33 0.00 0.00 0.00 0.26 -4.58 121.76 115.58 3g9a s ALA 227 Ca 0.56 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.57 3g9a s ALA 227 Cb -0.26 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.68 3g9a s ALA 227 CO 0.32 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.56 3g9a n GLY 228 N -0.54 0.32 3.24 0.00 0.00 -1.26 -1.73 105.19 105.23 3g9a n GLY 228 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 3g9a n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g9a s ILE 229 N -2.07 2.17 -2.92 -0.61 1.01 -1.26 -4.94 121.20 112.59 3g9a s ILE 229 Ca 0.00 -0.98 0.23 0.00 0.00 0.00 0.00 60.65 59.90 3g9a s ILE 229 Cb 0.00 -1.83 0.18 0.00 0.01 0.00 0.00 42.46 40.82 3g9a s ILE 229 CO 0.00 0.56 1.24 0.35 0.00 0.00 0.00 174.94 177.09