#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3o s PHE 7 N 0.00 0.19 -0.27 3.10 -0.71 -1.26 -5.13 117.98 113.90 3i3o s PHE 7 Ca 0.00 -0.58 -0.28 0.00 -1.04 0.00 0.00 56.93 55.03 3i3o s PHE 7 Cb 0.00 0.34 0.01 0.00 -1.21 0.00 0.00 43.02 42.16 3i3o s PHE 7 CO 0.00 -1.05 1.01 0.08 -1.34 0.00 0.00 175.22 173.91 3i3o s VAL 8 N -3.98 4.65 -0.14 -2.49 1.01 -1.26 -4.27 120.40 113.92 3i3o s VAL 8 Ca 0.19 1.81 0.11 0.00 0.00 0.00 0.00 61.98 64.09 3i3o s VAL 8 Cb -0.02 -4.31 -0.16 0.00 0.00 0.00 0.00 36.38 31.89 3i3o s VAL 8 CO 0.08 -0.27 0.02 0.35 0.00 0.00 0.00 175.10 175.28 3i3o n THR 9 N 5.51 0.94 -4.24 3.92 -2.24 0.50 -4.97 114.28 113.69 3i3o n THR 9 Ca 0.11 -0.55 -0.14 0.00 -2.27 0.00 0.00 64.05 61.20 3i3o n THR 9 Cb 0.47 -0.70 -0.10 0.00 -2.10 0.00 0.00 70.33 67.89 3i3o n THR 9 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3i3o s MET 10 N -2.33 1.15 0.45 -0.78 -1.94 -0.83 -5.02 119.30 109.99 3i3o s MET 10 Ca -0.09 -1.57 -0.24 0.00 -1.71 0.00 0.00 55.69 52.09 3i3o s MET 10 Cb 0.04 -0.21 -0.08 0.00 2.01 0.00 0.00 34.83 36.60 3i3o s MET 10 CO 0.54 -0.18 1.21 -2.14 -0.01 0.00 0.00 175.02 174.44 3i3o s PRO 11 N -3.95 3.79 0.08 2.03 0.02 -1.26 -4.33 135.00 131.38 3i3o s PRO 11 Ca 0.27 1.90 -0.31 0.00 0.02 0.00 0.00 61.00 62.88 3i3o s PRO 11 Cb 0.06 -2.51 -0.09 0.00 0.02 0.00 0.00 34.50 31.99 3i3o s PRO 11 CO 0.06 -0.56 1.75 0.00 -0.33 0.00 0.00 177.00 177.92 3i3o s ALA 12 N -1.44 3.70 0.08 -1.55 0.00 -1.26 -4.30 121.76 116.98 3i3o s ALA 12 Ca 0.62 1.29 -0.26 0.00 0.00 0.00 0.00 51.96 53.60 3i3o s ALA 12 Cb -0.32 -3.74 0.08 0.00 0.00 0.00 0.00 23.12 19.15 3i3o s ALA 12 CO 0.39 -1.22 0.77 1.14 0.00 0.00 0.00 175.76 176.84 3i3o s GLN 13 N 2.96 1.06 -0.07 0.00 -2.07 -1.25 -5.00 119.66 115.30 3i3o s GLN 13 Ca 0.78 -0.41 -0.30 0.00 -1.82 0.00 0.00 55.36 53.60 3i3o s GLN 13 Cb -0.42 0.47 0.07 0.00 -1.09 0.00 0.00 33.01 32.05 3i3o s GLN 13 CO 0.34 -0.47 0.68 -1.58 -1.32 0.00 0.00 175.29 172.95 3i3o s HIS 14 N -3.41 -0.67 -0.00 9.60 2.46 -1.26 -4.02 115.29 117.98 3i3o s HIS 14 Ca 0.04 1.19 0.08 0.00 0.47 0.00 0.00 55.06 56.84 3i3o s HIS 14 Cb -0.01 0.40 -0.02 0.00 -0.13 0.00 0.00 32.58 32.81 3i3o s HIS 14 CO -0.09 -0.59 -0.24 -0.65 -2.47 0.00 0.00 174.74 170.70 3i3o s GLN 15 N -1.06 2.09 0.18 2.88 -0.21 -0.12 -4.96 119.66 118.46 3i3o s GLN 15 Ca -0.10 -0.94 -0.13 0.00 0.02 0.00 0.00 55.36 54.20 3i3o s GLN 15 Cb -0.00 -2.09 0.16 0.00 1.00 0.00 0.00 33.01 32.08 3i3o s GLN 15 CO 0.09 0.56 1.75 -0.97 -2.12 0.00 0.00 175.29 174.60 3i3o h ASN 16 N 5.20 0.17 -2.10 5.90 -1.24 -1.91 -3.41 115.58 118.20 3i3o h ASN 16 Ca -0.45 0.06 -0.61 0.00 0.71 0.00 0.00 56.30 56.01 3i3o h ASN 16 Cb 1.13 0.05 -0.14 0.00 0.73 0.00 0.00 38.32 40.09 3i3o h ASN 16 CO 0.47 0.12 -0.71 -1.59 -1.29 0.00 0.00 177.43 174.43 3i3o s LYS 17 N -6.13 1.75 -0.01 6.67 0.00 -1.26 -5.10 119.74 115.66 3i3o s LYS 17 Ca -0.13 -1.87 0.03 0.00 0.00 0.00 0.00 55.97 54.00 3i3o s LYS 17 Cb 0.14 -1.69 -0.01 0.00 0.00 0.00 0.00 37.83 36.27 3i3o s LYS 17 CO 0.73 0.20 -0.10 -1.14 0.00 0.00 0.00 175.35 175.04 3i3o s GLN 18 N -3.58 0.85 0.52 1.78 0.74 -1.26 -4.01 119.66 114.70 3i3o s GLN 18 Ca 0.31 -0.37 -0.23 0.00 0.05 0.00 0.00 55.36 55.13 3i3o s GLN 18 Cb -0.00 -0.82 -0.06 0.00 1.10 0.00 0.00 33.01 33.23 3i3o s GLN 18 CO 0.16 0.22 1.39 -1.25 -0.55 0.00 0.00 175.29 175.25 3i3o s PRO 19 N -0.21 3.30 0.85 1.67 0.04 -1.26 -5.15 135.00 134.24 3i3o s PRO 19 Ca 0.03 2.31 -0.11 0.00 0.04 0.00 0.00 61.00 63.27 3i3o s PRO 19 Cb -0.04 -2.38 0.10 0.00 0.04 0.00 0.00 34.50 32.22 3i3o s PRO 19 CO -0.00 -1.09 1.09 0.20 0.04 0.00 0.00 177.00 177.24 3i3o s GLY 20 N -0.80 1.63 -0.23 0.56 0.00 -1.24 -5.04 107.32 102.19 3i3o s GLY 20 Ca 0.68 -0.06 -0.05 0.00 0.00 0.00 0.00 44.72 45.30 3i3o s GLY 20 CO 0.51 0.40 -0.01 -0.42 0.00 0.00 0.00 173.10 173.57 3i3o s ILE 21 N -2.99 3.67 0.19 0.90 -1.09 -1.26 -4.86 121.20 115.76 3i3o s ILE 21 Ca 0.62 -0.39 -0.09 0.00 -2.23 0.00 0.00 60.65 58.56 3i3o s ILE 21 Cb -0.17 -2.68 0.07 0.00 -1.58 0.00 0.00 42.46 38.10 3i3o s ILE 21 CO 0.56 0.40 1.65 -0.08 -1.23 0.00 0.00 174.94 176.24 3i3o h GLU 22 N 8.07 1.07 0.00 2.79 4.81 -1.96 -2.86 114.58 126.50 3i3o h GLU 22 Ca -0.40 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.49 3i3o h GLU 22 Cb 1.17 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3i3o h GLU 22 CO 0.60 1.04 0.00 -1.13 -0.73 0.00 0.00 179.01 178.79 3i3o n SER 23 N -4.18 0.00 0.07 1.04 3.41 -1.26 -1.34 113.62 111.36 3i3o n SER 23 Ca 0.03 0.50 0.12 0.00 -0.26 0.00 0.00 58.87 59.26 3i3o n SER 23 Cb 0.35 -0.50 0.10 0.00 -0.26 0.00 0.00 64.21 63.90 3i3o n SER 23 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3i3o h LEU 24 N 0.00 0.00 -9.96 1.04 3.38 -1.95 -3.49 115.31 104.34 3i3o h LEU 24 Ca 0.00 -0.19 -0.47 0.00 0.09 0.00 0.00 57.88 57.31 3i3o h LEU 24 Cb 0.08 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.84 3i3o h LEU 24 CO 0.00 0.10 0.39 -0.04 0.09 0.00 0.00 178.44 178.97 3i3o s MET 25 N -3.22 4.24 -0.11 1.13 -1.94 -0.45 -5.07 119.30 113.88 3i3o s MET 25 Ca 0.04 1.42 -0.01 0.00 -1.71 0.00 0.00 55.69 55.43 3i3o s MET 25 Cb 0.13 -2.53 0.04 0.00 2.01 0.00 0.00 34.83 34.47 3i3o s MET 25 CO 0.75 -0.06 -0.01 1.21 -0.01 0.00 0.00 175.02 176.90 3i3o s ASN 26 N -1.67 2.05 0.64 3.03 2.47 -1.26 -3.35 114.94 116.85 3i3o s ASN 26 Ca 0.57 -0.32 -0.14 0.00 0.42 0.00 0.00 52.86 53.40 3i3o s ASN 26 Cb -0.20 -0.57 -0.02 0.00 -1.45 0.00 0.00 41.25 39.01 3i3o s ASN 26 CO 0.25 -0.20 1.06 -2.16 -3.72 0.00 0.00 177.10 172.32 3i3o s PRO 27 N 1.88 3.14 0.29 0.43 0.04 -1.26 -4.42 135.00 135.10 3i3o s PRO 27 Ca 0.03 1.12 -0.30 0.00 0.04 0.00 0.00 61.00 61.89 3i3o s PRO 27 Cb -0.14 -2.01 -0.11 0.00 0.04 0.00 0.00 34.50 32.28 3i3o s PRO 27 CO -0.06 -0.95 1.54 -0.51 0.04 0.00 0.00 177.00 177.05 3i3o s LEU 28 N -4.92 4.36 0.59 -3.56 1.43 -1.21 -4.91 118.68 110.45 3i3o s LEU 28 Ca 0.62 2.87 -0.19 0.00 -1.03 0.00 0.00 54.13 56.40 3i3o s LEU 28 Cb -0.15 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.38 3i3o s LEU 28 CO 0.44 -0.84 1.01 -2.65 0.23 0.00 0.00 176.35 174.54 3i3o n PRO 29 N 2.07 0.99 -3.19 1.29 -0.02 -1.26 -4.92 135.00 129.97 3i3o n PRO 29 Ca 0.07 0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 61.52 3i3o n PRO 29 Cb 0.38 -2.21 -0.07 0.00 -0.02 0.00 0.00 33.50 31.58 3i3o n PRO 29 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3i3o s GLN 30 N -2.75 3.60 0.00 -0.52 -0.21 -1.26 -4.91 119.66 113.60 3i3o s GLN 30 Ca 0.75 -0.12 0.20 0.00 0.02 0.00 0.00 55.36 56.21 3i3o s GLN 30 Cb -0.42 -3.83 -0.09 0.00 1.00 0.00 0.00 33.01 29.67 3i3o s GLN 30 CO 0.47 -0.71 0.94 1.97 -2.12 0.00 0.00 175.29 175.84 3i3o n PHE 31 N 5.89 0.00 -4.07 0.91 1.16 -1.26 -1.95 117.46 118.13 3i3o n PHE 31 Ca -0.03 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.40 3i3o n PHE 31 Cb 0.49 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.22 3i3o n PHE 31 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 3i3o s GLU 32 N -2.51 0.33 -0.36 3.97 2.12 -1.26 -4.18 118.70 116.81 3i3o s GLU 32 Ca 0.13 -0.23 -0.13 0.00 0.36 0.00 0.00 54.97 55.11 3i3o s GLU 32 Cb 0.16 -0.28 -0.00 0.00 0.26 0.00 0.00 34.13 34.27 3i3o s GLU 32 CO 0.63 0.07 0.24 0.34 -0.54 0.00 0.00 175.26 176.00 3i3o s ASP 33 N -0.32 5.96 0.58 -1.70 -1.08 -1.26 -4.92 116.67 113.92 3i3o s ASP 33 Ca -0.01 -0.63 0.39 0.00 -0.52 0.00 0.00 52.55 51.78 3i3o s ASP 33 Cb -0.03 -2.11 1.95 0.00 -1.46 0.00 0.00 42.92 41.28 3i3o s ASP 33 CO -0.00 -0.30 2.17 1.55 0.52 0.00 0.00 175.17 179.10 3i3o h PRO 34 N 8.50 0.00 0.00 4.34 0.13 -2.03 -0.63 132.00 142.31 3i3o h PRO 34 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3i3o h PRO 34 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3i3o h PRO 34 CO 0.66 0.00 -0.20 0.09 -0.23 0.00 0.00 178.00 178.32 3i3o n ASN 35 N -2.96 0.34 -4.69 1.44 3.02 -1.26 -4.84 115.26 106.30 3i3o n ASN 35 Ca -0.02 0.27 -0.42 0.00 -0.03 0.00 0.00 54.58 54.38 3i3o n ASN 35 Cb 0.14 -0.27 -0.03 0.00 -0.61 0.00 0.00 39.78 39.01 3i3o n ASN 35 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3i3o s TYR 36 N -3.03 2.71 -0.14 3.10 5.04 -0.25 -4.99 117.35 119.78 3i3o s TYR 36 Ca 0.12 0.58 -0.00 0.00 -2.44 0.00 0.00 57.07 55.32 3i3o s TYR 36 Cb 0.17 -3.83 -0.01 0.00 0.35 0.00 0.00 41.96 38.63 3i3o s TYR 36 CO 0.61 -3.20 -0.13 0.15 -1.34 0.00 0.00 175.55 171.64 3i3o s LYS 37 N 2.27 3.36 0.63 4.97 1.02 -1.26 -4.99 119.74 125.73 3i3o s LYS 37 Ca 0.69 -0.69 -0.15 0.00 0.02 0.00 0.00 55.97 55.85 3i3o s LYS 37 Cb -0.37 -2.66 -0.02 0.00 -0.52 0.00 0.00 37.83 34.26 3i3o s LYS 37 CO 0.30 0.16 1.07 0.20 -0.92 0.00 0.00 175.35 176.16 3i3o s GLY 38 N 0.49 2.05 -0.21 -3.33 0.00 -1.26 -5.00 107.32 100.07 3i3o s GLY 38 Ca -0.09 0.37 0.21 0.00 0.00 0.00 0.00 44.72 45.21 3i3o s GLY 38 CO 0.04 0.69 1.19 -1.14 0.00 0.00 0.00 173.10 173.88 3i3o n SER 39 N -2.31 0.82 -3.30 1.64 3.41 -1.26 -4.98 113.62 107.64 3i3o n SER 39 Ca 0.09 -2.05 -0.24 0.00 -0.26 0.00 0.00 58.87 56.41 3i3o n SER 39 Cb 0.53 -0.21 0.04 0.00 -0.26 0.00 0.00 64.21 64.31 3i3o n SER 39 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i3o n GLU 40 N -0.50 -5.42 0.20 4.33 1.02 -1.25 -4.87 120.64 114.15 3i3o n GLU 40 Ca 0.01 0.79 0.14 0.00 -0.02 0.00 0.00 57.16 58.08 3i3o n GLU 40 Cb 0.88 -5.68 0.54 0.00 -0.02 0.00 0.00 31.44 27.16 3i3o n GLU 40 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3i3o h LYS 41 N -1.69 0.00 -0.40 3.49 1.57 -1.87 -2.86 116.57 114.80 3i3o h LYS 41 Ca -0.53 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 57.95 3i3o h LYS 41 Cb 1.36 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 33.38 3i3o h LYS 41 CO 0.57 0.00 -0.77 1.28 -0.57 0.00 0.00 179.45 179.96 3i3o n LEU 42 N -2.66 3.47 -4.68 2.94 4.77 -0.34 -4.42 117.00 116.08 3i3o n LEU 42 Ca 0.02 -4.04 -0.55 0.00 -0.03 0.00 0.00 56.01 51.41 3i3o n LEU 42 Cb 0.30 -0.28 -0.07 0.00 -2.33 0.00 0.00 43.42 41.05 3i3o n LEU 42 CO 0.25 1.62 1.22 1.17 -1.33 0.00 0.00 177.39 180.31 3i3o n LYS 43 N -0.73 1.22 -1.39 3.23 4.81 -1.08 -1.17 118.16 123.05 3i3o n LYS 43 Ca 0.28 0.45 -0.13 0.00 -0.87 0.00 0.00 58.31 58.04 3i3o n LYS 43 Cb 0.87 -2.13 -0.05 0.00 0.02 0.00 0.00 35.03 33.74 3i3o n LYS 43 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i3o n GLY 44 N 3.74 1.32 3.86 3.14 0.00 -1.26 -5.00 105.19 110.99 3i3o n GLY 44 Ca 0.24 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 3i3o n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3o s LYS 45 N -3.10 3.22 -0.15 1.61 -0.14 -0.32 -5.01 119.74 115.85 3i3o s LYS 45 Ca 0.00 -0.55 -0.01 0.00 -1.36 0.00 0.00 55.97 54.06 3i3o s LYS 45 Cb 0.00 -2.91 -0.01 0.00 -1.68 0.00 0.00 37.83 33.22 3i3o s LYS 45 CO 0.00 0.59 -0.11 -0.80 -0.76 0.00 0.00 175.35 174.27 3i3o s ASN 46 N -2.49 4.09 0.07 2.83 0.01 -1.26 -1.44 114.94 116.75 3i3o s ASN 46 Ca 0.33 -0.33 0.09 0.00 -0.71 0.00 0.00 52.86 52.24 3i3o s ASN 46 Cb -0.13 -1.64 -0.03 0.00 0.41 0.00 0.00 41.25 39.86 3i3o s ASN 46 CO 0.26 0.14 -0.24 -0.69 -1.51 0.00 0.00 177.10 175.05 3i3o s VAL 47 N 0.53 2.36 -0.17 1.60 1.01 -0.29 -1.00 120.40 124.44 3i3o s VAL 47 Ca -0.08 -1.42 0.01 0.00 0.00 0.00 0.00 61.98 60.49 3i3o s VAL 47 Cb -0.15 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.27 3i3o s VAL 47 CO 0.04 0.29 -0.20 -0.22 0.00 0.00 0.00 175.10 175.01 3i3o s LEU 48 N -1.50 2.17 -0.14 3.92 2.96 0.03 -0.85 118.68 125.26 3i3o s LEU 48 Ca 0.13 -0.62 0.02 0.00 -0.22 0.00 0.00 54.13 53.44 3i3o s LEU 48 Cb -0.10 -1.48 0.01 0.00 0.50 0.00 0.00 46.19 45.12 3i3o s LEU 48 CO 0.04 0.03 -0.19 -0.51 -1.32 0.00 0.00 176.35 174.40 3i3o s ILE 49 N 1.14 1.87 -0.06 6.68 2.07 -0.10 -0.61 121.20 132.18 3i3o s ILE 49 Ca 0.01 -0.85 -0.22 0.00 -1.41 0.00 0.00 60.65 58.18 3i3o s ILE 49 Cb -0.14 -1.68 -0.04 0.00 0.13 0.00 0.00 42.46 40.73 3i3o s ILE 49 CO -0.09 0.51 0.65 0.42 -1.91 0.00 0.00 174.94 174.52 3i3o s THR 50 N 1.03 5.04 -0.36 4.00 -4.23 -0.32 -1.32 115.64 119.49 3i3o s THR 50 Ca -0.03 1.34 0.00 0.00 -1.18 0.00 0.00 61.69 61.82 3i3o s THR 50 Cb -0.15 -3.99 0.00 0.00 1.34 0.00 0.00 72.50 69.70 3i3o s THR 50 CO -0.05 0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.93 3i3o n GLY 51 N 3.02 0.43 0.24 3.99 0.00 0.42 -2.68 105.19 110.61 3i3o n GLY 51 Ca -0.03 -0.81 0.01 0.00 0.00 0.00 0.00 46.02 45.19 3i3o n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3o n GLY 52 N -1.74 -0.25 0.11 -0.02 0.00 -1.18 -4.01 105.19 98.10 3i3o n GLY 52 Ca -0.04 -0.10 0.05 0.00 0.00 0.00 0.00 46.02 45.93 3i3o n GLY 52 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3i3o h ASP 53 N 0.52 0.00 -3.25 1.61 2.03 -1.82 -2.97 116.42 112.54 3i3o h ASP 53 Ca 0.00 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.12 3i3o h ASP 53 Cb 0.20 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.66 3i3o h ASP 53 CO 0.01 0.34 -0.04 -1.54 -1.03 0.00 0.00 179.24 176.98 3i3o n SER 54 N -2.84 -1.22 0.00 4.15 3.41 -1.26 -4.11 113.62 111.74 3i3o n SER 54 Ca -0.05 -2.42 0.00 0.00 -0.26 0.00 0.00 58.87 56.14 3i3o n SER 54 Cb 0.71 2.21 0.00 0.00 -0.26 0.00 0.00 64.21 66.87 3i3o n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i3o n GLY 55 N -0.44 2.52 0.29 5.00 0.00 -1.26 -0.97 105.19 110.32 3i3o n GLY 55 Ca -0.01 -0.18 -0.05 0.00 0.00 0.00 0.00 46.02 45.77 3i3o n GLY 55 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3i3o h ILE 56 N 0.00 1.21 -0.88 -0.61 2.04 -1.90 -2.87 117.51 114.50 3i3o h ILE 56 Ca 0.00 -0.49 0.05 0.00 1.00 0.00 0.00 64.86 65.42 3i3o h ILE 56 Cb 0.00 0.25 -0.06 0.00 -0.74 0.00 0.00 36.82 36.27 3i3o h ILE 56 CO 0.00 0.22 0.56 1.23 0.00 0.00 0.00 178.15 180.16 3i3o h GLY 57 N 0.97 1.32 0.96 5.37 0.00 -1.49 -0.71 103.07 109.50 3i3o h GLY 57 Ca 0.25 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 3i3o h GLY 57 CO -0.04 0.30 0.01 -0.09 0.00 0.00 0.00 176.54 176.71 3i3o h ARG 58 N 1.04 0.01 -0.73 4.80 2.43 -0.88 -0.18 114.38 120.87 3i3o h ARG 58 Ca 0.38 -0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.62 3i3o h ARG 58 Cb 0.12 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.61 3i3o h ARG 58 CO -0.16 0.05 0.40 0.00 -1.51 0.00 0.00 179.97 178.76 3i3o h ALA 59 N 0.96 1.00 -0.38 2.80 0.00 -1.17 -1.23 119.26 121.24 3i3o h ALA 59 Ca 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3i3o h ALA 59 Cb 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3i3o h ALA 59 CO -0.00 0.05 -0.01 0.28 0.00 0.00 0.00 179.25 179.57 3i3o h VAL 60 N 0.71 1.26 -0.41 0.00 2.07 -1.02 -2.23 116.25 116.64 3i3o h VAL 60 Ca 0.34 -1.02 0.08 0.00 0.82 0.00 0.00 66.70 66.92 3i3o h VAL 60 Cb 0.28 1.16 -0.07 0.00 -1.52 0.00 0.00 31.29 31.14 3i3o h VAL 60 CO -0.22 0.34 -0.02 0.28 0.02 0.00 0.00 177.57 177.97 3i3o h SER 61 N 0.50 -0.21 -0.33 0.57 0.02 -0.42 0.61 113.55 114.30 3i3o h SER 61 Ca 0.11 0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 61.10 3i3o h SER 61 Cb 0.49 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 3i3o h SER 61 CO 0.02 -0.07 -0.01 0.40 -1.14 0.00 0.00 176.83 176.03 3i3o h ILE 62 N 0.08 1.26 -0.50 3.27 2.04 -1.14 -1.03 117.51 121.50 3i3o h ILE 62 Ca 0.20 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 65.03 3i3o h ILE 62 Cb 0.29 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 3i3o h ILE 62 CO -0.35 0.32 0.18 0.00 0.00 0.00 0.00 178.15 178.30 3i3o h ALA 63 N 0.84 0.65 -0.84 1.87 0.00 -1.20 -0.48 119.26 120.10 3i3o h ALA 63 Ca 0.09 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3i3o h ALA 63 Cb 0.47 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3i3o h ALA 63 CO 0.02 0.27 0.55 0.74 0.00 0.00 0.00 179.25 180.83 3i3o h PHE 64 N 0.66 1.03 -0.59 0.00 -1.00 -0.73 -1.98 116.94 114.33 3i3o h PHE 64 Ca 0.16 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.97 3i3o h PHE 64 Cb 0.23 -0.34 -0.03 0.00 3.61 0.00 0.00 35.95 39.42 3i3o h PHE 64 CO 0.01 0.60 0.35 0.00 -1.61 0.00 0.00 178.31 177.67 3i3o h ALA 65 N 1.34 0.75 0.00 2.45 0.00 -0.57 -1.82 119.26 121.40 3i3o h ALA 65 Ca 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3i3o h ALA 65 Cb -0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3i3o h ALA 65 CO -0.10 0.23 -0.06 0.87 0.00 0.00 0.00 179.25 180.18 3i3o h LYS 66 N 0.79 0.00 -0.11 0.00 1.57 -0.52 -0.66 116.57 117.63 3i3o h LYS 66 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3i3o h LYS 66 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3i3o h LYS 66 CO -0.04 0.06 0.00 0.39 -0.57 0.00 0.00 179.45 179.29 3i3o n GLU 67 N -3.86 1.64 0.00 3.15 -0.58 -0.76 -4.30 120.64 115.93 3i3o n GLU 67 Ca -0.02 -0.96 0.00 0.00 -0.42 0.00 0.00 57.16 55.75 3i3o n GLU 67 Cb 0.16 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 3i3o n GLU 67 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i3o n GLY 68 N 1.11 0.81 3.81 0.62 0.00 -0.25 -1.20 105.19 110.08 3i3o n GLY 68 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3i3o n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3o s ALA 69 N -2.00 3.55 0.23 4.61 0.00 -0.77 -4.00 121.76 123.39 3i3o s ALA 69 Ca 0.00 0.09 -0.28 0.00 0.00 0.00 0.00 51.96 51.77 3i3o s ALA 69 Cb 0.00 -2.70 -0.09 0.00 0.00 0.00 0.00 23.12 20.33 3i3o s ALA 69 CO 0.00 0.38 0.89 -0.80 0.00 0.00 0.00 175.76 176.23 3i3o s ASN 70 N -1.19 7.52 -0.12 0.00 0.01 -0.52 -4.09 114.94 116.54 3i3o s ASN 70 Ca 0.32 1.84 0.02 0.00 -0.71 0.00 0.00 52.86 54.33 3i3o s ASN 70 Cb -0.20 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 38.90 3i3o s ASN 70 CO 0.20 0.13 -0.17 -0.63 -1.51 0.00 0.00 177.10 175.13 3i3o s ILE 71 N -1.25 1.68 -0.20 0.60 -1.09 -0.64 -1.13 121.20 119.17 3i3o s ILE 71 Ca 0.41 -0.75 -0.08 0.00 -2.23 0.00 0.00 60.65 58.01 3i3o s ILE 71 Cb -0.24 -1.52 -0.04 0.00 -1.58 0.00 0.00 42.46 39.08 3i3o s ILE 71 CO 0.29 0.48 0.08 0.00 -1.23 0.00 0.00 174.94 174.55 3i3o s ALA 72 N 1.00 3.39 -0.26 9.38 0.00 -0.03 -0.99 121.76 134.26 3i3o s ALA 72 Ca -0.05 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 3i3o s ALA 72 Cb -0.15 -2.00 0.03 0.00 0.00 0.00 0.00 23.12 21.00 3i3o s ALA 72 CO -0.03 0.03 -0.05 0.42 0.00 0.00 0.00 175.76 176.13 3i3o s ILE 73 N 0.65 2.93 -0.05 0.00 1.01 0.44 -0.93 121.20 125.26 3i3o s ILE 73 Ca 0.04 -1.05 -0.12 0.00 0.00 0.00 0.00 60.65 59.52 3i3o s ILE 73 Cb -0.13 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.78 3i3o s ILE 73 CO 0.01 0.16 0.32 0.00 0.00 0.00 0.00 174.94 175.44 3i3o s ALA 74 N 1.32 3.75 0.26 9.38 0.00 -0.43 -0.03 121.76 136.01 3i3o s ALA 74 Ca -0.00 -0.36 -0.18 0.00 0.00 0.00 0.00 51.96 51.42 3i3o s ALA 74 Cb -0.17 -2.26 0.01 0.00 0.00 0.00 0.00 23.12 20.70 3i3o s ALA 74 CO -0.04 0.50 0.62 1.52 0.00 0.00 0.00 175.76 178.36 3i3o s TYR 75 N -0.97 0.04 0.00 0.00 -0.85 -1.01 -0.43 117.35 114.12 3i3o s TYR 75 Ca 0.21 -0.46 0.00 0.00 -0.52 0.00 0.00 57.07 56.30 3i3o s TYR 75 Cb -0.15 0.49 0.00 0.00 0.38 0.00 0.00 41.96 42.68 3i3o s TYR 75 CO 0.10 -1.13 0.14 -0.11 -1.52 0.00 0.00 175.55 173.03 3i3o n LEU 76 N -0.43 0.83 -0.35 -3.49 7.94 -1.26 -1.27 117.00 118.97 3i3o n LEU 76 Ca -0.03 0.42 0.00 0.00 -1.11 0.00 0.00 56.01 55.29 3i3o n LEU 76 Cb 0.60 -0.33 0.00 0.00 0.53 0.00 0.00 43.42 44.22 3i3o n LEU 76 CO 0.18 -0.33 0.19 -0.90 -1.11 0.00 0.00 177.39 175.42 3i3o n ASP 77 N -1.50 0.00 -4.21 1.96 5.68 -1.26 -2.14 116.55 115.08 3i3o n ASP 77 Ca 0.00 -1.16 -0.43 0.00 -0.50 0.00 0.00 54.79 52.70 3i3o n ASP 77 Cb 0.00 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 3i3o n ASP 77 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3i3o n GLU 78 N 0.00 3.36 -0.33 0.11 4.71 -1.26 -4.78 120.64 122.45 3i3o n GLU 78 Ca 0.00 -3.50 -0.03 0.00 -0.01 0.00 0.00 57.16 53.62 3i3o n GLU 78 Cb 0.53 -3.12 0.09 0.00 -1.01 0.00 0.00 31.44 27.93 3i3o n GLU 78 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3i3o h GLU 79 N 6.64 1.18 0.30 3.49 4.39 -1.98 0.04 114.58 128.64 3i3o h GLU 79 Ca 0.40 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 60.01 3i3o h GLU 79 Cb 0.77 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 3i3o h GLU 79 CO 1.48 0.79 -0.19 0.78 -1.16 0.00 0.00 179.01 180.71 3i3o h GLY 80 N 1.21 -0.49 1.00 -3.84 0.00 -1.99 -0.03 103.07 98.93 3i3o h GLY 80 Ca 0.32 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.86 3i3o h GLY 80 CO -0.07 -0.19 0.29 -0.55 0.00 0.00 0.00 176.54 176.02 3i3o h ASP 81 N -0.47 0.54 -0.68 0.19 3.32 -1.80 -1.52 116.42 115.99 3i3o h ASP 81 Ca -0.03 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3i3o h ASP 81 Cb 0.39 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 3i3o h ASP 81 CO 0.03 0.41 0.44 0.00 -1.72 0.00 0.00 179.24 178.40 3i3o h ALA 82 N 1.15 0.87 -0.33 3.45 0.00 -0.85 -0.84 119.26 122.71 3i3o h ALA 82 Ca 0.17 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 3i3o h ALA 82 Cb -0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3i3o h ALA 82 CO -0.03 0.31 -0.39 -0.91 0.00 0.00 0.00 179.25 178.22 3i3o h ASN 83 N 0.93 0.85 -0.80 0.00 2.35 -0.78 -0.38 115.58 117.74 3i3o h ASN 83 Ca 0.25 -0.39 -0.02 0.00 -0.55 0.00 0.00 56.30 55.59 3i3o h ASN 83 Cb -0.09 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.01 3i3o h ASN 83 CO -0.05 1.14 0.40 -0.08 -1.65 0.00 0.00 177.43 177.19 3i3o h GLU 84 N 0.66 1.14 -0.35 0.81 4.81 -1.03 -2.16 114.58 118.46 3i3o h GLU 84 Ca 0.05 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 59.04 3i3o h GLU 84 Cb 0.95 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 3i3o h GLU 84 CO 0.09 0.87 -0.11 1.15 -0.73 0.00 0.00 179.01 180.28 3i3o h THR 85 N 1.13 1.28 -0.86 0.32 2.02 -0.90 -2.42 112.91 113.48 3i3o h THR 85 Ca 0.28 -1.19 0.11 0.00 0.77 0.00 0.00 66.41 66.38 3i3o h THR 85 Cb 0.09 1.33 -0.08 0.00 -1.74 0.00 0.00 68.15 67.75 3i3o h THR 85 CO -0.04 0.39 0.49 0.50 0.37 0.00 0.00 175.52 177.23 3i3o h LYS 86 N 0.48 0.76 -0.67 6.66 3.64 -0.93 -0.90 116.57 125.60 3i3o h LYS 86 Ca 0.09 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 3i3o h LYS 86 Cb 0.63 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 3i3o h LYS 86 CO 0.04 0.50 0.21 1.96 -2.27 0.00 0.00 179.45 179.89 3i3o h GLN 87 N 0.78 1.04 -0.60 1.90 1.08 -1.06 -1.15 115.11 117.11 3i3o h GLN 87 Ca 0.43 -0.23 -0.06 0.00 -1.45 0.00 0.00 58.65 57.34 3i3o h GLN 87 Cb 0.46 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 3i3o h GLN 87 CO -0.28 0.91 0.13 1.88 -0.95 0.00 0.00 178.83 180.52 3i3o h TYR 88 N 0.98 1.02 0.25 2.96 0.05 -0.92 -2.23 116.97 119.08 3i3o h TYR 88 Ca 0.22 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 3i3o h TYR 88 Cb 0.30 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 37.76 3i3o h TYR 88 CO 0.02 0.87 -0.12 0.28 -1.05 0.00 0.00 178.16 178.16 3i3o h VAL 89 N 0.88 0.80 0.00 -2.88 2.07 -0.92 -3.02 116.25 113.18 3i3o h VAL 89 Ca 0.19 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 3i3o h VAL 89 Cb 0.37 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3i3o h VAL 89 CO 0.00 0.08 -0.14 -0.33 0.02 0.00 0.00 177.57 177.21 3i3o h GLU 90 N -0.53 0.00 0.00 1.57 5.08 -1.23 -1.03 114.58 118.44 3i3o h GLU 90 Ca -0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3i3o h GLU 90 Cb 0.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 3i3o h GLU 90 CO 0.06 0.14 -0.01 -0.22 -1.00 0.00 0.00 179.01 177.97 3i3o h LYS 91 N 0.00 0.00 -0.22 2.33 3.64 -1.26 -0.76 116.57 120.29 3i3o h LYS 91 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i3o h LYS 91 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3i3o h LYS 91 CO 0.02 0.01 0.00 0.39 -2.27 0.00 0.00 179.45 177.60 3i3o n GLU 92 N -3.71 1.61 -2.43 1.90 -0.58 -0.39 -4.94 120.64 112.10 3i3o n GLU 92 Ca -0.03 -0.93 -0.03 0.00 -0.42 0.00 0.00 57.16 55.75 3i3o n GLU 92 Cb 0.10 -1.27 0.01 0.00 -0.57 0.00 0.00 31.44 29.71 3i3o n GLU 92 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i3o n GLY 93 N 0.97 0.56 3.31 0.62 0.00 -0.29 -4.82 105.19 105.55 3i3o n GLY 93 Ca 0.11 -0.63 -0.16 0.00 0.00 0.00 0.00 46.02 45.34 3i3o n GLY 93 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i3o s VAL 94 N -2.70 0.67 0.35 1.61 -7.23 -1.25 -5.07 120.40 106.78 3i3o s VAL 94 Ca 0.05 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.07 3i3o s VAL 94 Cb -0.02 -2.50 -0.09 0.00 0.56 0.00 0.00 36.38 34.33 3i3o s VAL 94 CO 0.06 -0.14 0.77 -0.54 -0.31 0.00 0.00 175.10 174.94 3i3o s LYS 95 N -3.98 4.00 -0.04 4.82 1.02 -1.26 -4.20 119.74 120.09 3i3o s LYS 95 Ca 0.34 0.70 -0.00 0.00 0.02 0.00 0.00 55.97 57.03 3i3o s LYS 95 Cb 0.07 -2.39 0.03 0.00 -0.52 0.00 0.00 37.83 35.02 3i3o s LYS 95 CO 0.11 0.10 -0.00 0.00 -0.92 0.00 0.00 175.35 174.64 3i3o s VAL 97 N 1.32 2.70 -0.19 0.00 1.01 -0.16 -5.00 120.40 120.09 3i3o s VAL 97 Ca -0.05 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.05 3i3o s VAL 97 Cb -0.13 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 3i3o s VAL 97 CO -0.02 0.53 0.12 -0.76 0.00 0.00 0.00 175.10 174.97 3i3o s LEU 98 N 0.41 4.14 -0.55 3.92 1.43 -1.26 -0.42 118.68 126.36 3i3o s LEU 98 Ca -0.12 0.22 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 3i3o s LEU 98 Cb -0.16 -2.06 0.16 0.00 0.03 0.00 0.00 46.19 44.16 3i3o s LEU 98 CO 0.06 0.20 0.38 -0.76 0.23 0.00 0.00 176.35 176.46 3i3o s LEU 99 N 0.21 3.26 0.76 1.79 1.43 0.96 -4.94 118.68 122.15 3i3o s LEU 99 Ca 0.08 -3.31 -0.11 0.00 -1.03 0.00 0.00 54.13 49.76 3i3o s LEU 99 Cb -0.11 -1.12 0.05 0.00 0.03 0.00 0.00 46.19 45.03 3i3o s LEU 99 CO -0.01 -0.16 1.08 -2.16 0.23 0.00 0.00 176.35 175.33 3i3o s PRO 100 N -0.54 2.40 0.00 1.29 0.04 -1.26 -2.42 135.00 134.51 3i3o s PRO 100 Ca 0.26 0.89 0.00 0.00 0.04 0.00 0.00 61.00 62.19 3i3o s PRO 100 Cb -0.07 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.54 3i3o s PRO 100 CO -0.13 -1.46 0.00 0.41 0.04 0.00 0.00 177.00 175.85 3i3o n GLY 101 N -1.79 3.37 3.52 0.56 0.00 -0.40 -4.87 105.19 105.59 3i3o n GLY 101 Ca 0.08 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 3i3o n GLY 101 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i3o s ASP 102 N 0.00 6.35 0.00 1.61 -1.08 -1.26 -4.05 116.67 118.23 3i3o s ASP 102 Ca 0.00 -0.31 0.18 0.00 -0.52 0.00 0.00 52.55 51.90 3i3o s ASP 102 Cb 0.00 -2.35 1.07 0.00 -1.46 0.00 0.00 42.92 40.18 3i3o s ASP 102 CO 0.00 -0.89 1.66 0.18 0.52 0.00 0.00 175.17 176.64 3i3o n LEU 103 N 6.54 0.00 -0.04 -1.34 4.77 -1.26 -2.44 117.00 123.24 3i3o n LEU 103 Ca -0.00 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 3i3o n LEU 103 Cb 0.48 0.00 0.68 0.00 -2.33 0.00 0.00 43.42 42.25 3i3o n LEU 103 CO 0.57 0.00 0.95 -1.54 -1.33 0.00 0.00 177.39 176.03 3i3o n SER 104 N -0.80 0.17 -4.61 -1.43 3.41 -1.26 -4.53 113.62 104.56 3i3o n SER 104 Ca 0.13 -0.23 -0.38 0.00 -0.26 0.00 0.00 58.87 58.14 3i3o n SER 104 Cb 0.06 -0.21 -0.10 0.00 -0.26 0.00 0.00 64.21 63.70 3i3o n SER 104 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i3o s ASP 105 N -2.59 6.06 0.16 4.04 2.15 -1.02 -4.90 116.67 120.57 3i3o s ASP 105 Ca 0.27 0.04 -0.23 0.00 0.43 0.00 0.00 52.55 53.06 3i3o s ASP 105 Cb 0.20 -2.12 0.04 0.00 -0.30 0.00 0.00 42.92 40.74 3i3o s ASP 105 CO 0.48 -0.02 1.61 -0.08 -0.17 0.00 0.00 175.17 177.00 3i3o h GLU 106 N 8.07 -0.26 -0.98 4.34 4.81 -1.89 -2.22 114.58 126.46 3i3o h GLU 106 Ca -0.36 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 58.97 3i3o h GLU 106 Cb 1.18 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.55 3i3o h GLU 106 CO 0.59 -0.17 0.62 0.37 -0.73 0.00 0.00 179.01 179.69 3i3o h GLN 107 N -0.27 1.05 -0.64 1.92 5.75 -1.95 -0.85 115.11 120.12 3i3o h GLN 107 Ca 0.15 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.53 3i3o h GLN 107 Cb 0.51 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.79 3i3o h GLN 107 CO -0.45 0.69 0.19 1.25 -2.65 0.00 0.00 178.83 177.86 3i3o h HIS 108 N 1.08 1.01 -0.71 3.99 2.76 -1.75 0.14 115.15 121.68 3i3o h HIS 108 Ca 0.45 -0.09 0.06 0.00 -2.20 0.00 0.00 60.37 58.58 3i3o h HIS 108 Cb 0.28 -0.30 -0.06 0.00 1.55 0.00 0.00 27.41 28.89 3i3o h HIS 108 CO -0.01 0.81 0.40 0.00 -1.30 0.00 0.00 177.93 177.84 3i3o h LYS 110 N 0.74 0.70 -0.87 0.00 1.57 -0.54 -3.23 116.57 114.93 3i3o h LYS 110 Ca 0.31 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3i3o h LYS 110 Cb 0.19 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 3i3o h LYS 110 CO -0.18 0.80 0.52 -0.44 -0.57 0.00 0.00 179.45 179.58 3i3o h ASP 111 N 0.52 1.05 -0.24 0.86 3.32 -0.12 -2.33 116.42 119.49 3i3o h ASP 111 Ca 0.11 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3i3o h ASP 111 Cb 0.48 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3i3o h ASP 111 CO 0.02 0.81 0.14 0.16 -1.72 0.00 0.00 179.24 178.66 3i3o h ILE 112 N 1.20 1.08 -0.13 0.35 3.07 -1.29 0.14 117.51 121.93 3i3o h ILE 112 Ca 0.31 -0.21 -0.07 0.00 1.55 0.00 0.00 64.86 66.44 3i3o h ILE 112 Cb -0.04 0.74 -0.00 0.00 -0.27 0.00 0.00 36.82 37.25 3i3o h ILE 112 CO -0.06 0.09 -0.20 0.58 -1.05 0.00 0.00 178.15 177.52 3i3o h VAL 113 N 0.35 1.36 -0.71 0.16 2.07 -1.55 -1.31 116.25 116.62 3i3o h VAL 113 Ca 0.09 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.16 3i3o h VAL 113 Cb 0.01 1.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 3i3o h VAL 113 CO -0.02 0.42 0.33 -0.61 0.02 0.00 0.00 177.57 177.71 3i3o h GLN 114 N -0.03 1.03 -0.38 1.57 4.15 -0.83 -1.96 115.11 118.65 3i3o h GLN 114 Ca 0.01 -0.16 -0.13 0.00 0.77 0.00 0.00 58.65 59.14 3i3o h GLN 114 Cb 0.76 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.26 3i3o h GLN 114 CO 0.05 0.81 -0.30 1.49 -1.93 0.00 0.00 178.83 178.95 3i3o h GLU 115 N 0.99 0.83 -0.21 1.69 4.57 -0.75 -1.06 114.58 120.65 3i3o h GLU 115 Ca 0.24 -0.38 0.02 0.00 -1.18 0.00 0.00 59.36 58.06 3i3o h GLU 115 Cb 0.13 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 3i3o h GLU 115 CO -0.03 1.02 0.09 1.15 -1.18 0.00 0.00 179.01 180.05 3i3o h THR 116 N 0.71 0.97 -0.48 0.32 2.02 -0.90 -0.22 112.91 115.32 3i3o h THR 116 Ca 0.08 -0.07 -0.06 0.00 0.77 0.00 0.00 66.41 67.13 3i3o h THR 116 Cb 0.84 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 3i3o h THR 116 CO 0.07 0.04 0.07 0.58 0.37 0.00 0.00 175.52 176.64 3i3o h VAL 117 N 0.19 1.25 -0.39 3.16 2.07 -1.26 0.32 116.25 121.60 3i3o h VAL 117 Ca 0.09 -0.94 0.03 0.00 0.82 0.00 0.00 66.70 66.69 3i3o h VAL 117 Cb 0.04 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3i3o h VAL 117 CO -0.08 0.33 0.20 -0.09 0.02 0.00 0.00 177.57 177.96 3i3o h ARG 118 N 0.67 0.40 0.19 1.57 2.43 -0.93 0.50 114.38 119.20 3i3o h ARG 118 Ca 0.14 -0.02 -0.34 0.00 -0.81 0.00 0.00 59.98 58.95 3i3o h ARG 118 Cb 0.41 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 29.88 3i3o h ARG 118 CO 0.01 0.26 -1.63 1.96 -1.51 0.00 0.00 179.97 179.07 3i3o h GLN 119 N 0.41 0.39 0.00 0.20 4.20 -0.96 -3.38 115.11 115.98 3i3o h GLN 119 Ca 0.16 -0.67 -0.12 0.00 0.06 0.00 0.00 58.65 58.08 3i3o h GLN 119 Cb 0.06 0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 3i3o h GLN 119 CO -0.11 1.30 -1.48 1.28 -0.67 0.00 0.00 178.83 179.16 3i3o n LEU 120 N -3.59 0.66 0.00 1.46 4.77 0.11 -4.99 117.00 115.42 3i3o n LEU 120 Ca -0.21 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3i3o n LEU 120 Cb 1.07 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 42.23 3i3o n LEU 120 CO 0.53 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 3i3o n GLY 121 N 1.35 2.21 3.80 -0.72 0.00 0.17 -5.01 105.19 107.00 3i3o n GLY 121 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 3i3o n GLY 121 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i3o s SER 122 N -0.40 -0.08 -0.05 1.61 1.04 -1.23 -4.88 113.70 109.71 3i3o s SER 122 Ca 0.00 -0.53 0.01 0.00 0.48 0.00 0.00 55.95 55.92 3i3o s SER 122 Cb 0.00 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.62 3i3o s SER 122 CO 0.00 -0.92 -0.06 -0.22 0.98 0.00 0.00 173.24 173.01 3i3o s LEU 123 N -3.16 1.40 -0.02 2.42 2.96 -1.26 -4.52 118.68 116.50 3i3o s LEU 123 Ca 0.17 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 3i3o s LEU 123 Cb -0.02 -0.55 -0.02 0.00 0.50 0.00 0.00 46.19 46.11 3i3o s LEU 123 CO 0.03 -0.03 -0.01 0.59 -1.32 0.00 0.00 176.35 175.61 3i3o n ASN 124 N 4.01 4.10 -3.85 3.68 4.13 -0.17 -4.51 115.26 122.65 3i3o n ASN 124 Ca -0.24 -0.01 -0.22 0.00 1.68 0.00 0.00 54.58 55.79 3i3o n ASN 124 Cb 0.51 0.18 -0.17 0.00 -1.54 0.00 0.00 39.78 38.76 3i3o n ASN 124 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3i3o s ILE 125 N -2.04 0.57 -0.18 2.41 1.01 -0.85 -1.20 121.20 120.91 3i3o s ILE 125 Ca -0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.52 3i3o s ILE 125 Cb 0.01 -0.64 -0.02 0.00 0.01 0.00 0.00 42.46 41.82 3i3o s ILE 125 CO 0.06 0.26 -0.03 -0.22 0.00 0.00 0.00 174.94 175.01 3i3o s LEU 126 N 1.41 3.17 -0.29 2.97 2.96 -0.48 -0.79 118.68 127.63 3i3o s LEU 126 Ca -0.03 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.70 3i3o s LEU 126 Cb -0.13 -1.78 0.07 0.00 0.50 0.00 0.00 46.19 44.84 3i3o s LEU 126 CO -0.03 0.11 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.37 3i3o s VAL 127 N 0.71 2.37 -0.39 1.68 1.01 0.22 -1.02 120.40 124.99 3i3o s VAL 127 Ca -0.02 -1.73 -0.24 0.00 0.00 0.00 0.00 61.98 59.99 3i3o s VAL 127 Cb -0.14 -2.46 0.02 0.00 0.00 0.00 0.00 36.38 33.79 3i3o s VAL 127 CO 0.02 -0.16 0.85 0.20 0.00 0.00 0.00 175.10 176.01 3i3o s ASN 128 N 1.12 6.57 0.00 3.32 0.01 0.06 -1.17 114.94 124.84 3i3o s ASN 128 Ca -0.04 0.34 0.00 0.00 -0.71 0.00 0.00 52.86 52.45 3i3o s ASN 128 Cb -0.20 -2.43 0.00 0.00 0.41 0.00 0.00 41.25 39.04 3i3o s ASN 128 CO -0.05 -0.84 0.00 -3.20 -1.51 0.00 0.00 177.10 171.50 3i3o n ASN 129 N 6.68 0.00 -4.76 -1.22 2.85 -1.12 -1.05 115.26 116.65 3i3o n ASN 129 Ca 0.05 -0.46 -0.38 0.00 -0.11 0.00 0.00 54.58 53.68 3i3o n ASN 129 Cb 0.48 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.52 3i3o n ASN 129 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 3i3o s VAL 130 N 0.00 2.50 0.13 3.44 -7.23 -1.09 -4.76 120.40 113.38 3i3o s VAL 130 Ca 0.00 0.38 -0.24 0.00 -1.81 0.00 0.00 61.98 60.31 3i3o s VAL 130 Cb 0.00 -3.19 0.07 0.00 0.56 0.00 0.00 36.38 33.82 3i3o s VAL 130 CO 0.00 -0.00 0.62 0.00 -0.31 0.00 0.00 175.10 175.41 3i3o s ALA 131 N -1.40 -1.63 0.05 1.32 0.00 -1.26 -4.66 121.76 114.18 3i3o s ALA 131 Ca 0.68 0.62 0.02 0.00 0.00 0.00 0.00 51.96 53.28 3i3o s ALA 131 Cb -0.36 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 3i3o s ALA 131 CO 0.43 -0.71 -0.08 -0.65 0.00 0.00 0.00 175.76 174.74 3i3o s GLN 132 N -3.38 0.60 -0.01 0.00 -0.21 -1.26 -4.98 119.66 110.42 3i3o s GLN 132 Ca -0.00 -0.86 -0.01 0.00 0.02 0.00 0.00 55.36 54.50 3i3o s GLN 132 Cb -0.01 -0.34 0.00 0.00 1.00 0.00 0.00 33.01 33.67 3i3o s GLN 132 CO -0.10 0.05 0.03 1.14 -2.12 0.00 0.00 175.29 174.29 3i3o s GLN 133 N -1.93 0.03 -0.41 2.91 -2.07 -1.26 -4.92 119.66 112.01 3i3o s GLN 133 Ca -0.06 0.04 0.02 0.00 -1.82 0.00 0.00 55.36 53.54 3i3o s GLN 133 Cb -0.08 0.00 0.13 0.00 -1.09 0.00 0.00 33.01 31.97 3i3o s GLN 133 CO -0.00 -0.01 0.20 0.71 -1.32 0.00 0.00 175.29 174.87 3i3o s TYR 134 N 0.06 2.00 0.43 9.60 2.02 -1.26 -4.76 117.35 125.44 3i3o s TYR 134 Ca -0.00 -2.30 -0.26 0.00 -0.37 0.00 0.00 57.07 54.14 3i3o s TYR 134 Cb -0.01 -1.90 -0.09 0.00 -0.40 0.00 0.00 41.96 39.57 3i3o s TYR 134 CO -0.00 -0.81 1.38 -2.14 -1.57 0.00 0.00 175.55 172.41 3i3o s PRO 135 N 0.65 3.81 0.02 -1.71 0.02 -1.26 -4.91 135.00 131.63 3i3o s PRO 135 Ca 0.16 2.33 -0.04 0.00 0.02 0.00 0.00 61.00 63.47 3i3o s PRO 135 Cb -0.23 -2.71 -0.01 0.00 0.02 0.00 0.00 34.50 31.57 3i3o s PRO 135 CO -0.05 -0.68 0.05 -0.65 -0.33 0.00 0.00 177.00 175.34 3i3o s GLN 136 N -2.35 0.43 0.33 5.54 -1.52 -0.31 -5.03 119.66 116.75 3i3o s GLN 136 Ca 0.59 -0.59 0.26 0.00 -1.95 0.00 0.00 55.36 53.67 3i3o s GLN 136 Cb -0.42 0.17 1.10 0.00 -0.22 0.00 0.00 33.01 33.64 3i3o s GLN 136 CO 0.54 -0.09 1.78 -0.56 -0.25 0.00 0.00 175.29 176.71 3i3o h GLN 137 N 4.29 0.00 -1.98 2.91 3.07 -1.89 -3.40 115.11 118.11 3i3o h GLN 137 Ca -0.32 0.00 0.28 0.00 0.09 0.00 0.00 58.65 58.70 3i3o h GLN 137 Cb 1.20 0.00 -0.08 0.00 0.08 0.00 0.00 27.48 28.67 3i3o h GLN 137 CO 0.43 0.00 0.76 0.20 0.09 0.00 0.00 178.83 180.31 3i3o s GLY 138 N -3.70 -0.20 0.35 0.06 0.00 -1.26 -4.90 107.32 97.67 3i3o s GLY 138 Ca 0.03 0.22 0.03 0.00 0.00 0.00 0.00 44.72 45.00 3i3o s GLY 138 CO 0.42 2.15 1.98 -2.00 0.00 0.00 0.00 173.10 175.65 3i3o h LEU 139 N 2.00 0.73 -1.52 0.66 5.85 -1.90 -1.81 115.31 119.31 3i3o h LEU 139 Ca -0.27 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3i3o h LEU 139 Cb 1.20 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3i3o h LEU 139 CO 0.30 0.50 0.00 -0.33 -0.34 0.00 0.00 178.44 178.57 3i3o h GLU 140 N 0.84 0.00 -0.38 1.25 5.08 -1.99 -2.13 114.58 117.25 3i3o h GLU 140 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3i3o h GLU 140 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3i3o h GLU 140 CO -0.08 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.59 3i3o n TYR 141 N -2.49 0.49 -3.53 4.33 4.02 -0.68 -4.83 117.16 114.46 3i3o n TYR 141 Ca -0.01 -0.25 -0.42 0.00 -0.01 0.00 0.00 57.90 57.22 3i3o n TYR 141 Cb 0.12 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.34 3i3o n TYR 141 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3i3o s ILE 142 N -1.51 4.84 0.63 -0.72 1.01 -0.80 -4.97 121.20 119.68 3i3o s ILE 142 Ca 0.38 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 60.07 3i3o s ILE 142 Cb 0.22 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 3i3o s ILE 142 CO 0.30 -0.31 1.03 0.42 0.00 0.00 0.00 174.94 176.39 3i3o s THR 143 N 1.60 4.59 0.28 2.92 -4.23 -1.26 -4.89 115.64 114.64 3i3o s THR 143 Ca 0.03 0.86 -0.02 0.00 -1.18 0.00 0.00 61.69 61.38 3i3o s THR 143 Cb -0.20 -3.78 0.27 0.00 1.34 0.00 0.00 72.50 70.13 3i3o s THR 143 CO 0.08 -1.08 1.91 0.00 -0.54 0.00 0.00 174.62 174.99 3i3o h ALA 144 N -0.32 1.41 -0.16 3.99 0.00 -1.99 -0.69 119.26 121.50 3i3o h ALA 144 Ca -0.44 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.45 3i3o h ALA 144 Cb 1.19 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3i3o h ALA 144 CO 0.61 0.48 0.05 1.49 0.00 0.00 0.00 179.25 181.89 3i3o h GLU 145 N 1.17 0.12 -0.60 0.00 4.81 -1.99 -0.96 114.58 117.13 3i3o h GLU 145 Ca 0.39 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.59 3i3o h GLU 145 Cb 0.07 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3i3o h GLU 145 CO -0.13 0.08 0.29 0.37 -0.73 0.00 0.00 179.01 178.89 3i3o h GLN 146 N 0.13 0.86 -0.12 1.92 4.15 -1.80 -0.75 115.11 119.50 3i3o h GLN 146 Ca 0.07 -0.13 0.02 0.00 0.77 0.00 0.00 58.65 59.38 3i3o h GLN 146 Cb 0.04 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 3i3o h GLN 146 CO -0.07 0.70 0.00 1.25 -1.93 0.00 0.00 178.83 178.78 3i3o h LEU 147 N 0.82 -0.04 -0.34 -2.39 5.85 -0.88 -1.15 115.31 117.19 3i3o h LEU 147 Ca 0.21 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.85 3i3o h LEU 147 Cb 0.12 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3i3o h LEU 147 CO -0.03 -0.00 -0.19 -0.33 -0.34 0.00 0.00 178.44 177.55 3i3o h GLU 148 N 0.04 0.73 -0.58 1.25 5.08 -1.02 -1.69 114.58 118.39 3i3o h GLU 148 Ca 0.05 -0.33 0.02 0.00 -1.00 0.00 0.00 59.36 58.10 3i3o h GLU 148 Cb 0.06 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3i3o h GLU 148 CO -0.09 0.94 0.37 -0.22 -1.00 0.00 0.00 179.01 179.00 3i3o h LYS 149 N 0.50 0.71 -0.46 2.33 3.64 -1.06 0.12 116.57 122.34 3i3o h LYS 149 Ca 0.07 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 3i3o h LYS 149 Cb 0.73 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 3i3o h LYS 149 CO 0.05 0.47 0.23 1.15 -2.27 0.00 0.00 179.45 179.08 3i3o h THR 150 N 0.73 1.18 -0.43 1.00 2.02 -1.06 -2.69 112.91 113.67 3i3o h THR 150 Ca 0.23 -0.51 -0.11 0.00 0.77 0.00 0.00 66.41 66.78 3i3o h THR 150 Cb -0.01 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 3i3o h THR 150 CO -0.08 0.20 -0.18 -0.26 0.37 0.00 0.00 175.52 175.57 3i3o h PHE 151 N 0.61 1.00 -0.76 3.16 -1.00 -0.93 -1.88 116.94 117.13 3i3o h PHE 151 Ca 0.16 -0.24 0.00 0.00 2.81 0.00 0.00 57.97 60.70 3i3o h PHE 151 Cb 0.11 -0.23 -0.04 0.00 3.61 0.00 0.00 35.95 39.40 3i3o h PHE 151 CO -0.01 1.02 0.49 -0.09 -1.61 0.00 0.00 178.31 178.11 3i3o h ARG 152 N 0.70 1.01 0.19 1.51 2.43 -0.62 -0.70 114.38 118.91 3i3o h ARG 152 Ca 0.10 -0.07 -0.34 0.00 -0.81 0.00 0.00 59.98 58.86 3i3o h ARG 152 Cb 0.74 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3i3o h ARG 152 CO 0.06 0.69 -1.67 0.97 -1.51 0.00 0.00 179.97 178.50 3i3o h ILE 153 N 1.04 1.01 0.00 1.20 6.09 -1.55 -2.38 117.51 122.91 3i3o h ILE 153 Ca 0.28 -2.53 -0.19 0.00 -1.37 0.00 0.00 64.86 61.04 3i3o h ILE 153 Cb -0.10 2.81 -0.01 0.00 0.47 0.00 0.00 36.82 40.00 3i3o h ILE 153 CO -0.06 0.84 -0.85 0.78 -3.07 0.00 0.00 178.15 175.79 3i3o h ASN 154 N 0.08 0.21 0.00 2.19 4.21 -1.28 -3.37 115.58 117.62 3i3o h ASN 154 Ca -0.33 -0.17 0.00 0.00 1.21 0.00 0.00 56.30 57.01 3i3o h ASN 154 Cb 2.08 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 39.22 3i3o h ASN 154 CO 0.19 0.97 -0.67 0.00 -1.29 0.00 0.00 177.43 176.62 3i3o n ILE 155 N -3.65 0.00 -0.01 2.81 0.13 -0.47 -4.62 119.36 113.54 3i3o n ILE 155 Ca -0.03 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.62 3i3o n ILE 155 Cb 0.79 -0.35 0.30 0.00 -0.84 0.00 0.00 39.64 39.55 3i3o n ILE 155 CO 0.00 0.00 0.00 -0.26 2.80 0.00 0.00 176.55 179.09 3i3o h PHE 156 N 0.00 0.56 -0.52 9.51 0.04 -1.16 -2.16 116.94 123.21 3i3o h PHE 156 Ca 0.00 -0.05 -0.06 0.00 2.80 0.00 0.00 57.97 60.66 3i3o h PHE 156 Cb 0.67 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.63 3i3o h PHE 156 CO 0.00 0.52 0.08 0.66 -0.60 0.00 0.00 178.31 178.97 3i3o h SER 157 N 0.52 0.78 -0.69 2.17 4.64 -1.59 -0.17 113.55 119.21 3i3o h SER 157 Ca 0.12 -0.16 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 3i3o h SER 157 Cb 0.29 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.15 3i3o h SER 157 CO 0.01 0.80 0.27 1.88 -0.87 0.00 0.00 176.83 178.91 3i3o h TYR 158 N 0.78 1.06 0.28 4.77 -1.99 -1.66 -0.48 116.97 119.72 3i3o h TYR 158 Ca 0.16 -0.08 -0.01 0.00 2.00 0.00 0.00 58.73 60.80 3i3o h TYR 158 Cb 0.36 -0.31 0.00 0.00 2.00 0.00 0.00 36.73 38.78 3i3o h TYR 158 CO 0.02 0.82 -0.13 0.74 -0.00 0.00 0.00 178.16 179.61 3i3o h PHE 159 N 0.98 -0.35 -0.47 4.88 0.04 -0.76 -2.65 116.94 118.62 3i3o h PHE 159 Ca 0.23 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.90 3i3o h PHE 159 Cb 0.22 0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 3i3o h PHE 159 CO 0.02 -0.20 -0.06 0.45 -0.60 0.00 0.00 178.31 177.92 3i3o h HIS 160 N -0.40 0.97 -0.25 -0.55 3.86 -0.91 -0.25 115.15 117.63 3i3o h HIS 160 Ca -0.04 -0.19 -0.06 0.00 -1.16 0.00 0.00 60.37 58.92 3i3o h HIS 160 Cb 0.31 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 3i3o h HIS 160 CO -0.05 0.94 -0.07 0.28 0.86 0.00 0.00 177.93 179.89 3i3o h VAL 161 N 0.73 1.29 -0.41 2.45 2.07 -1.21 -2.06 116.25 119.11 3i3o h VAL 161 Ca 0.13 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.53 3i3o h VAL 161 Cb 0.59 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 3i3o h VAL 161 CO 0.04 0.34 0.11 0.74 0.02 0.00 0.00 177.57 178.81 3i3o h THR 162 N 0.22 1.22 -0.34 2.57 2.02 -1.43 -0.95 112.91 116.23 3i3o h THR 162 Ca 0.06 -0.76 0.05 0.00 0.77 0.00 0.00 66.41 66.53 3i3o h THR 162 Cb 0.54 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 3i3o h THR 162 CO 0.03 0.27 0.09 0.50 0.37 0.00 0.00 175.52 176.77 3i3o h LYS 163 N 0.51 0.21 -0.15 6.66 3.64 -1.04 -1.53 116.57 124.86 3i3o h LYS 163 Ca 0.13 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 3i3o h LYS 163 Cb 0.29 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3i3o h LYS 163 CO -0.00 0.14 -0.14 0.00 -2.27 0.00 0.00 179.45 177.17 3i3o h ALA 164 N 1.24 1.49 0.00 5.00 0.00 -1.17 -3.01 119.26 122.81 3i3o h ALA 164 Ca 0.16 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3i3o h ALA 164 Cb 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3i3o h ALA 164 CO -0.19 0.36 -0.34 0.00 0.00 0.00 0.00 179.25 179.08 3i3o h ALA 165 N 1.63 1.02 -0.94 0.00 0.00 -0.19 -3.33 119.26 117.45 3i3o h ALA 165 Ca 0.05 -0.31 0.12 0.00 0.00 0.00 0.00 54.91 54.77 3i3o h ALA 165 Cb 0.39 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 3i3o h ALA 165 CO 0.02 0.42 0.57 -0.07 0.00 0.00 0.00 179.25 180.20 3i3o h LEU 166 N 0.00 0.82 -0.72 0.00 3.38 -1.25 0.90 115.31 118.44 3i3o h LEU 166 Ca -0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3i3o h LEU 166 Cb 0.84 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3i3o h LEU 166 CO 0.04 0.43 0.00 -1.54 0.09 0.00 0.00 178.44 177.46 3i3o n SER 167 N -4.68 0.42 -0.00 -0.43 3.41 -1.25 -2.51 113.62 108.57 3i3o n SER 167 Ca 0.18 0.64 0.08 0.00 -0.26 0.00 0.00 58.87 59.51 3i3o n SER 167 Cb 0.35 -0.72 -0.11 0.00 -0.26 0.00 0.00 64.21 63.48 3i3o n SER 167 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3i3o n HIS 168 N -2.01 0.00 -3.28 7.33 8.25 0.27 -4.98 115.22 120.80 3i3o n HIS 168 Ca 0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.11 3i3o n HIS 168 Cb 0.12 -0.20 -0.06 0.00 1.12 0.00 0.00 29.99 30.97 3i3o n HIS 168 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3i3o s LEU 169 N -3.50 4.36 0.34 2.41 1.43 -0.95 -4.58 118.68 118.20 3i3o s LEU 169 Ca -0.01 1.19 0.07 0.00 -1.03 0.00 0.00 54.13 54.36 3i3o s LEU 169 Cb 0.11 -3.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.00 3i3o s LEU 169 CO 0.66 0.11 0.28 -0.54 0.23 0.00 0.00 176.35 177.08 3i3o s LYS 170 N -1.86 1.80 0.18 1.70 1.02 -1.26 -4.97 119.74 116.35 3i3o s LYS 170 Ca 0.38 -2.05 -0.33 0.00 0.02 0.00 0.00 55.97 53.98 3i3o s LYS 170 Cb -0.16 0.26 -0.15 0.00 -0.52 0.00 0.00 37.83 37.27 3i3o s LYS 170 CO 0.20 -0.65 1.37 1.04 -0.92 0.00 0.00 175.35 176.38 3i3o n GLN 171 N -0.66 1.67 0.00 1.68 6.02 -1.19 -1.33 117.38 123.58 3i3o n GLN 171 Ca 0.07 0.60 0.00 0.00 -0.01 0.00 0.00 57.00 57.66 3i3o n GLN 171 Cb 0.62 -2.24 0.00 0.00 1.02 0.00 0.00 30.24 29.64 3i3o n GLN 171 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i3o n GLY 172 N 2.48 1.40 3.89 1.08 0.00 0.35 -4.99 105.19 109.38 3i3o n GLY 172 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3i3o n GLY 172 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i3o s ASP 173 N -2.07 5.39 -0.04 1.61 1.01 -0.44 -4.95 116.67 117.18 3i3o s ASP 173 Ca 0.00 1.10 -0.04 0.00 0.71 0.00 0.00 52.55 54.33 3i3o s ASP 173 Cb 0.00 -1.88 0.01 0.00 1.01 0.00 0.00 42.92 42.06 3i3o s ASP 173 CO 0.00 -1.37 0.11 -0.69 0.21 0.00 0.00 175.17 173.43 3i3o s VAL 174 N -3.37 -0.00 -0.05 -1.27 1.01 -0.34 -2.47 120.40 113.90 3i3o s VAL 174 Ca 0.58 0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.62 3i3o s VAL 174 Cb -0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.09 3i3o s VAL 174 CO 0.51 0.00 -0.23 -0.63 0.00 0.00 0.00 175.10 174.75 3i3o s ILE 175 N 0.07 2.23 -0.06 2.22 1.01 0.28 -1.38 121.20 125.57 3i3o s ILE 175 Ca -0.00 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 59.65 3i3o s ILE 175 Cb -0.01 -1.81 0.02 0.00 0.01 0.00 0.00 42.46 40.66 3i3o s ILE 175 CO 0.00 0.57 -0.09 -0.63 0.00 0.00 0.00 174.94 174.79 3i3o s ILE 176 N -0.30 0.91 -0.13 2.92 1.01 -0.18 -1.88 121.20 123.56 3i3o s ILE 176 Ca 0.01 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.31 3i3o s ILE 176 Cb -0.13 -0.86 -0.01 0.00 0.01 0.00 0.00 42.46 41.48 3i3o s ILE 176 CO 0.02 0.30 -0.16 0.20 0.00 0.00 0.00 174.94 175.30 3i3o s ASN 177 N 0.71 3.66 -0.32 3.58 0.01 -0.34 -0.76 114.94 121.48 3i3o s ASN 177 Ca -0.13 -0.43 -0.26 0.00 -0.71 0.00 0.00 52.86 51.33 3i3o s ASN 177 Cb -0.15 -1.55 0.01 0.00 0.41 0.00 0.00 41.25 39.97 3i3o s ASN 177 CO 0.02 0.13 0.92 -0.89 -1.51 0.00 0.00 177.10 175.78 3i3o s THR 178 N 0.52 4.65 0.00 1.60 2.01 -0.21 -1.89 115.64 122.32 3i3o s THR 178 Ca -0.11 1.38 0.00 0.00 0.31 0.00 0.00 61.69 63.27 3i3o s THR 178 Cb -0.16 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 68.07 3i3o s THR 178 CO 0.04 -0.39 0.00 0.00 -0.69 0.00 0.00 174.62 173.58 3i3o n ALA 179 N 6.56 0.00 -3.58 7.40 0.00 1.00 -4.88 120.51 127.00 3i3o n ALA 179 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.44 3i3o n ALA 179 Cb 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.89 3i3o n ALA 179 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i3o s SER 180 N -0.84 -0.26 0.48 0.00 0.15 -1.26 -4.45 113.70 107.53 3i3o s SER 180 Ca 0.00 0.19 0.21 0.00 0.70 0.00 0.00 55.95 57.05 3i3o s SER 180 Cb 0.00 0.23 1.25 0.00 -1.71 0.00 0.00 66.02 65.79 3i3o s SER 180 CO 0.00 -0.30 1.95 -0.29 1.20 0.00 0.00 173.24 175.80 3i3o h ILE 181 N 2.27 0.75 0.00 6.45 2.10 -1.26 -2.16 117.51 125.65 3i3o h ILE 181 Ca -0.15 -0.06 -0.00 0.00 1.08 0.00 0.00 64.86 65.73 3i3o h ILE 181 Cb 1.18 0.55 -0.00 0.00 -1.09 0.00 0.00 36.82 37.46 3i3o h ILE 181 CO 0.28 0.03 -0.01 -0.37 -1.08 0.00 0.00 178.15 177.00 3i3o h VAL 182 N 0.19 0.04 0.00 2.19 -1.51 -1.86 0.14 116.25 115.43 3i3o h VAL 182 Ca 0.32 -0.16 -0.06 0.00 -1.23 0.00 0.00 66.70 65.57 3i3o h VAL 182 Cb 0.98 1.15 -0.01 0.00 -2.13 0.00 0.00 31.29 31.29 3i3o h VAL 182 CO -0.06 0.01 -0.26 0.00 -1.23 0.00 0.00 177.57 176.03 3i3o h ALA 183 N 1.99 1.13 0.05 5.19 0.00 -1.62 -1.08 119.26 124.93 3i3o h ALA 183 Ca -0.00 -0.24 -0.38 0.00 0.00 0.00 0.00 54.91 54.29 3i3o h ALA 183 Cb 0.15 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 3i3o h ALA 183 CO 0.00 0.33 -2.27 0.66 0.00 0.00 0.00 179.25 177.96 3i3o n TYR 184 N -3.59 0.50 0.17 0.00 4.01 0.35 -4.60 117.16 113.99 3i3o n TYR 184 Ca -0.01 0.11 0.10 0.00 -0.16 0.00 0.00 57.90 57.94 3i3o n TYR 184 Cb 0.40 -1.07 -0.15 0.00 -0.31 0.00 0.00 39.34 38.21 3i3o n TYR 184 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3i3o n GLU 185 N -3.31 0.59 -0.19 -0.72 -0.58 -0.41 -5.07 120.64 110.95 3i3o n GLU 185 Ca -0.39 -0.15 0.02 0.00 -0.42 0.00 0.00 57.16 56.22 3i3o n GLU 185 Cb 1.02 -1.47 -0.01 0.00 -0.57 0.00 0.00 31.44 30.41 3i3o n GLU 185 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i3o n GLY 186 N 1.37 -2.74 2.88 0.62 0.00 -0.41 -5.01 105.19 101.91 3i3o n GLY 186 Ca -0.02 -1.39 -0.11 0.00 0.00 0.00 0.00 46.02 44.50 3i3o n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i3o s ASN 187 N -4.36 0.48 0.48 1.61 3.84 -1.26 -4.78 114.94 110.95 3i3o s ASN 187 Ca 0.00 0.13 0.30 0.00 0.21 0.00 0.00 52.86 53.50 3i3o s ASN 187 Cb 0.00 0.96 1.62 0.00 -0.55 0.00 0.00 41.25 43.28 3i3o s ASN 187 CO 0.00 -0.31 1.90 1.05 -2.79 0.00 0.00 177.10 176.96 3i3o h GLU 188 N 8.21 0.00 -0.02 0.43 4.11 -1.97 -0.82 114.58 124.52 3i3o h GLU 188 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.24 3i3o h GLU 188 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3i3o h GLU 188 CO 0.28 0.00 -0.02 0.25 0.07 0.00 0.00 179.01 179.59 3i3o n THR 189 N -2.59 0.00 -2.84 -1.06 -2.24 -1.26 -4.57 114.28 99.72 3i3o n THR 189 Ca -0.02 -0.49 -0.15 0.00 -2.27 0.00 0.00 64.05 61.11 3i3o n THR 189 Cb 0.11 1.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 3i3o n THR 189 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3i3o n LEU 190 N 0.97 1.84 -0.06 3.22 4.77 -0.32 -1.16 117.00 126.26 3i3o n LEU 190 Ca 0.10 -4.47 -0.10 0.00 -0.03 0.00 0.00 56.01 51.51 3i3o n LEU 190 Cb 0.45 0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 41.85 3i3o n LEU 190 CO 0.12 1.95 0.87 0.40 -1.33 0.00 0.00 177.39 179.40 3i3o h ILE 191 N 2.28 1.16 -0.17 -0.08 2.04 -1.79 0.23 117.51 121.17 3i3o h ILE 191 Ca 0.03 -0.46 -0.06 0.00 1.00 0.00 0.00 64.86 65.36 3i3o h ILE 191 Cb 1.03 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 38.16 3i3o h ILE 191 CO 0.56 0.15 -0.14 -2.24 0.00 0.00 0.00 178.15 176.48 3i3o h ASP 192 N 0.21 0.43 -0.38 1.72 2.03 -1.92 -2.07 116.42 116.44 3i3o h ASP 192 Ca 0.07 -0.46 0.06 0.00 -0.73 0.00 0.00 57.03 55.98 3i3o h ASP 192 Cb 0.16 -0.12 -0.06 0.00 -0.83 0.00 0.00 39.33 38.48 3i3o h ASP 192 CO -0.01 0.80 0.04 0.22 -1.03 0.00 0.00 179.24 179.26 3i3o h TYR 193 N 0.07 0.06 -0.98 4.15 3.20 -1.90 -1.77 116.97 119.80 3i3o h TYR 193 Ca 0.03 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.93 3i3o h TYR 193 Cb 0.67 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.92 3i3o h TYR 193 CO 0.08 -0.02 0.64 0.66 -1.64 0.00 0.00 178.16 177.87 3i3o h SER 194 N 0.16 1.13 -0.55 -2.11 4.64 -0.49 -0.87 113.55 115.46 3i3o h SER 194 Ca 0.18 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.44 3i3o h SER 194 Cb 0.24 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.02 3i3o h SER 194 CO -0.27 0.82 0.24 0.00 -0.87 0.00 0.00 176.83 176.75 3i3o h ALA 195 N 1.38 1.32 -0.29 5.18 0.00 -0.85 0.83 119.26 126.83 3i3o h ALA 195 Ca 0.36 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 3i3o h ALA 195 Cb -0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 3i3o h ALA 195 CO -0.08 0.51 -0.24 1.79 0.00 0.00 0.00 179.25 181.24 3i3o h THR 196 N 0.84 1.27 -0.32 0.00 1.35 -0.35 -1.25 112.91 114.44 3i3o h THR 196 Ca 0.20 -1.28 -0.16 0.00 -0.55 0.00 0.00 66.41 64.62 3i3o h THR 196 Cb 0.15 1.30 -0.00 0.00 -1.73 0.00 0.00 68.15 67.87 3i3o h THR 196 CO -0.02 0.41 -0.45 0.11 -0.25 0.00 0.00 175.52 175.32 3i3o h LYS 197 N 0.50 0.83 -0.82 4.72 1.79 -0.58 -1.70 116.57 121.31 3i3o h LYS 197 Ca 0.07 -0.47 -0.04 0.00 -2.18 0.00 0.00 60.65 58.04 3i3o h LYS 197 Cb 0.68 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.32 3i3o h LYS 197 CO 0.05 1.10 0.36 0.78 -1.08 0.00 0.00 179.45 180.67 3i3o h GLY 198 N 0.83 1.28 1.17 3.86 0.00 -0.65 -1.65 103.07 107.91 3i3o h GLY 198 Ca 0.04 -0.66 -0.00 0.00 0.00 0.00 0.00 47.33 46.71 3i3o h GLY 198 CO 0.10 0.63 0.51 0.00 0.00 0.00 0.00 176.54 177.78 3i3o h ALA 199 N 1.22 1.35 -0.58 3.60 0.00 -1.00 -2.05 119.26 121.81 3i3o h ALA 199 Ca 0.28 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3i3o h ALA 199 Cb 0.16 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3i3o h ALA 199 CO -0.03 0.57 0.19 0.82 0.00 0.00 0.00 179.25 180.81 3i3o h ILE 200 N 1.13 1.24 -0.35 0.00 2.04 -0.46 -0.06 117.51 121.04 3i3o h ILE 200 Ca 0.30 -0.79 0.01 0.00 1.00 0.00 0.00 64.86 65.38 3i3o h ILE 200 Cb -0.07 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 3i3o h ILE 200 CO -0.06 0.30 0.21 0.58 0.00 0.00 0.00 178.15 179.18 3i3o h VAL 201 N 0.81 1.05 -0.40 1.67 2.07 -0.98 -0.53 116.25 119.95 3i3o h VAL 201 Ca 0.19 -0.15 -0.13 0.00 0.82 0.00 0.00 66.70 67.43 3i3o h VAL 201 Cb 0.26 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3i3o h VAL 201 CO -0.01 0.08 -0.25 0.00 0.02 0.00 0.00 177.57 177.41 3i3o h ALA 202 N 1.15 0.80 -0.60 1.67 0.00 -1.25 -1.93 119.26 119.10 3i3o h ALA 202 Ca 0.14 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 54.71 3i3o h ALA 202 Cb -0.01 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3i3o h ALA 202 CO -0.05 0.65 0.32 0.35 0.00 0.00 0.00 179.25 180.51 3i3o h PHE 203 N 0.71 0.59 -0.37 0.00 3.57 -0.76 -1.09 116.94 119.58 3i3o h PHE 203 Ca 0.09 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 3i3o h PHE 203 Cb 0.79 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 3i3o h PHE 203 CO 0.04 0.28 0.08 1.15 -2.23 0.00 0.00 178.31 177.64 3i3o h THR 204 N 0.60 1.23 0.29 4.41 2.02 -0.88 0.18 112.91 120.76 3i3o h THR 204 Ca 0.27 -0.80 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 3i3o h THR 204 Cb 0.16 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3i3o h THR 204 CO -0.17 0.27 -0.14 0.03 0.37 0.00 0.00 175.52 175.88 3i3o h ARG 205 N 0.46 -0.37 -0.32 6.66 3.08 -1.07 -0.69 114.38 122.13 3i3o h ARG 205 Ca 0.12 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 3i3o h ARG 205 Cb 0.33 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3i3o h ARG 205 CO 0.00 -0.22 0.07 0.77 -1.07 0.00 0.00 179.97 179.53 3i3o h SER 206 N -0.42 0.49 -0.54 7.04 0.02 -1.10 -2.72 113.55 116.30 3i3o h SER 206 Ca -0.04 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.63 3i3o h SER 206 Cb 0.32 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 3i3o h SER 206 CO 0.06 0.60 0.19 0.25 -1.14 0.00 0.00 176.83 176.79 3i3o h LEU 207 N 0.36 0.81 -0.73 5.07 5.85 -0.99 -1.20 115.31 124.48 3i3o h LEU 207 Ca 0.10 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.74 3i3o h LEU 207 Cb 0.30 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 3i3o h LEU 207 CO 0.00 0.77 0.44 0.77 -0.34 0.00 0.00 178.44 180.08 3i3o h SER 208 N 0.86 0.70 -0.58 1.25 4.64 -0.82 -1.90 113.55 117.69 3i3o h SER 208 Ca 0.19 0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.42 3i3o h SER 208 Cb 0.24 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 3i3o h SER 208 CO -0.01 0.46 -0.05 1.56 -0.87 0.00 0.00 176.83 177.92 3i3o h GLN 209 N 0.83 1.05 -0.65 4.77 4.20 -1.19 -2.30 115.11 121.81 3i3o h GLN 209 Ca 0.31 -0.36 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 3i3o h GLN 209 Cb 0.11 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 3i3o h GLN 209 CO -0.15 1.06 0.30 1.03 -0.67 0.00 0.00 178.83 180.40 3i3o h SER 210 N 0.94 0.84 -0.01 1.46 0.87 -0.64 -3.27 113.55 113.75 3i3o h SER 210 Ca 0.16 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 3i3o h SER 210 Cb 0.62 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 3i3o h SER 210 CO 0.04 0.73 -0.68 0.18 -0.53 0.00 0.00 176.83 176.57 3i3o n LEU 211 N -4.34 1.60 -0.06 2.23 4.77 -0.77 -4.52 117.00 115.91 3i3o n LEU 211 Ca 0.06 -0.66 0.07 0.00 -0.03 0.00 0.00 56.01 55.45 3i3o n LEU 211 Cb 0.14 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 41.67 3i3o n LEU 211 CO 0.38 0.32 1.18 1.62 -1.33 0.00 0.00 177.39 179.57 3i3o h VAL 212 N 1.44 1.03 0.00 4.08 3.04 -1.46 -0.10 116.25 124.27 3i3o h VAL 212 Ca 0.00 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 3i3o h VAL 212 Cb 0.64 0.43 0.00 0.00 -2.01 0.00 0.00 31.29 30.36 3i3o h VAL 212 CO 0.00 0.10 0.00 1.56 -1.01 0.00 0.00 177.57 178.22 3i3o h GLN 213 N 0.55 0.00 -0.00 4.17 4.20 -1.82 -2.41 115.11 119.79 3i3o h GLN 213 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3i3o h GLN 213 Cb 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 3i3o h GLN 213 CO -0.06 0.00 -0.05 1.63 -0.67 0.00 0.00 178.83 179.68 3i3o n LYS 214 N -2.88 0.39 -2.08 1.46 5.02 -0.08 -4.93 118.16 115.07 3i3o n LYS 214 Ca 0.03 -0.06 -0.04 0.00 -2.02 0.00 0.00 58.31 56.23 3i3o n LYS 214 Cb 0.42 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.93 3i3o n LYS 214 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i3o n GLY 215 N 1.33 0.22 3.31 0.72 0.00 -0.91 -3.17 105.19 106.69 3i3o n GLY 215 Ca 0.13 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 3i3o n GLY 215 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i3o s ILE 216 N -2.19 3.03 0.14 -0.61 1.01 -1.14 -0.50 121.20 120.94 3i3o s ILE 216 Ca 0.00 -0.64 -0.06 0.00 0.00 0.00 0.00 60.65 59.96 3i3o s ILE 216 Cb -0.00 -2.32 -0.06 0.00 0.01 0.00 0.00 42.46 40.10 3i3o s ILE 216 CO 0.00 0.49 0.39 -0.13 0.00 0.00 0.00 174.94 175.69 3i3o s ARG 217 N 0.93 3.65 -0.07 2.79 0.52 -1.03 -4.12 118.95 121.62 3i3o s ARG 217 Ca -0.02 -0.02 -0.02 0.00 -0.52 0.00 0.00 55.73 55.15 3i3o s ARG 217 Cb -0.15 -2.85 0.03 0.00 0.52 0.00 0.00 34.95 32.51 3i3o s ARG 217 CO -0.01 0.47 0.04 0.08 0.02 0.00 0.00 175.30 175.90 3i3o s VAL 218 N -1.64 0.09 0.28 3.52 1.01 -1.26 -0.55 120.40 121.86 3i3o s VAL 218 Ca 0.40 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.63 3i3o s VAL 218 Cb -0.12 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 3i3o s VAL 218 CO 0.23 0.13 0.23 0.20 0.00 0.00 0.00 175.10 175.89 3i3o s ASN 219 N 2.08 1.13 0.12 3.32 0.01 -0.79 0.21 114.94 121.04 3i3o s ASN 219 Ca 0.04 -1.63 0.01 0.00 -0.71 0.00 0.00 52.86 50.57 3i3o s ASN 219 Cb -0.13 0.50 -0.04 0.00 0.41 0.00 0.00 41.25 41.98 3i3o s ASN 219 CO -0.05 -0.99 -0.00 -0.83 -1.51 0.00 0.00 177.10 173.72 3i3o s GLY 220 N -3.30 0.93 -0.05 0.66 0.00 0.11 -1.20 107.32 104.47 3i3o s GLY 220 Ca 0.40 -1.44 0.06 0.00 0.00 0.00 0.00 44.72 43.74 3i3o s GLY 220 CO 0.22 -1.43 -0.25 0.14 0.00 0.00 0.00 173.10 171.78 3i3o s VAL 221 N -3.80 2.08 -0.53 1.40 1.01 -0.79 -1.32 120.40 118.45 3i3o s VAL 221 Ca 0.18 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 61.12 3i3o s VAL 221 Cb 0.07 -1.74 0.14 0.00 0.00 0.00 0.00 36.38 34.84 3i3o s VAL 221 CO -0.01 0.57 0.29 0.00 0.00 0.00 0.00 175.10 175.95 3i3o s ALA 222 N -0.23 3.34 0.58 5.51 0.00 0.01 -0.00 121.76 130.98 3i3o s ALA 222 Ca -0.02 -3.16 -0.15 0.00 0.00 0.00 0.00 51.96 48.63 3i3o s ALA 222 Cb -0.13 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 3i3o s ALA 222 CO 0.03 -2.00 1.03 -2.14 0.00 0.00 0.00 175.76 172.68 3i3o s PRO 223 N -0.04 3.48 0.00 0.00 0.02 -1.26 -2.29 135.00 134.90 3i3o s PRO 223 Ca 0.16 1.07 0.00 0.00 0.02 0.00 0.00 61.00 62.25 3i3o s PRO 223 Cb -0.23 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.23 3i3o s PRO 223 CO -0.02 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.39 3i3o n GLY 224 N -1.38 1.51 3.59 0.52 0.00 -0.44 -1.01 105.19 107.98 3i3o n GLY 224 Ca 0.08 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 3i3o n GLY 224 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i3o s PRO 225 N 2.72 3.32 -0.09 1.61 0.04 -1.26 -4.92 135.00 136.42 3i3o s PRO 225 Ca 0.00 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.11 3i3o s PRO 225 Cb 0.00 -4.16 -0.03 0.00 0.04 0.00 0.00 34.50 30.35 3i3o s PRO 225 CO 0.00 -1.88 -0.08 0.42 0.04 0.00 0.00 177.00 175.50 3i3o s ILE 226 N 6.61 3.61 -0.71 0.56 -1.09 -1.26 -0.12 121.20 128.80 3i3o s ILE 226 Ca 0.69 -0.50 -0.26 0.00 -2.23 0.00 0.00 60.65 58.35 3i3o s ILE 226 Cb -0.17 -2.49 0.00 0.00 -1.58 0.00 0.00 42.46 38.22 3i3o s ILE 226 CO 0.31 0.57 1.58 0.86 -1.23 0.00 0.00 174.94 177.03 3i3o s TRP 227 N -0.46 1.99 0.17 3.97 -0.00 0.21 -4.86 118.94 119.97 3i3o s TRP 227 Ca 0.07 0.32 -0.06 0.00 -0.00 0.00 0.00 56.10 56.42 3i3o s TRP 227 Cb -0.12 -4.36 -0.02 0.00 -0.00 0.00 0.00 33.47 28.97 3i3o s TRP 227 CO 0.02 -2.16 0.23 0.95 -0.00 0.00 0.00 176.95 175.99 3i3o s THR 228 N 7.41 0.06 -0.30 5.86 -4.23 -1.26 -4.36 115.64 118.82 3i3o s THR 228 Ca 0.52 -1.61 0.20 0.00 -1.18 0.00 0.00 61.69 59.61 3i3o s THR 228 Cb -0.10 -2.03 0.20 0.00 1.34 0.00 0.00 72.50 71.91 3i3o s THR 228 CO 0.15 -0.26 1.60 -2.65 -0.54 0.00 0.00 174.62 172.92 3i3o n PRO 229 N -0.21 0.13 0.12 3.99 -0.02 -1.26 -1.97 135.00 135.78 3i3o n PRO 229 Ca -0.05 0.61 0.01 0.00 -2.02 0.00 0.00 63.50 62.04 3i3o n PRO 229 Cb 0.63 -1.91 0.33 0.00 -0.02 0.00 0.00 33.50 32.53 3i3o n PRO 229 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3i3o h LEU 230 N 0.00 0.21 0.32 2.45 5.85 -1.94 -3.07 115.31 119.13 3i3o h LEU 230 Ca 0.00 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 3i3o h LEU 230 Cb 0.03 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.01 3i3o h LEU 230 CO 0.00 0.47 -0.15 0.40 -0.34 0.00 0.00 178.44 178.82 3i3o h ILE 231 N 0.19 0.00 0.00 4.05 5.03 -1.73 -2.34 117.51 122.72 3i3o h ILE 231 Ca 0.03 -0.54 -0.00 0.00 -0.12 0.00 0.00 64.86 64.22 3i3o h ILE 231 Cb 0.57 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.36 3i3o h ILE 231 CO 0.04 0.00 -0.02 1.55 -0.68 0.00 0.00 178.15 179.04 3i3o h PRO 232 N -0.97 0.00 0.00 2.37 0.13 -1.72 0.03 132.00 131.84 3i3o h PRO 232 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 3i3o h PRO 232 Cb 0.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.46 3i3o h PRO 232 CO 0.07 0.02 -0.51 0.66 -0.23 0.00 0.00 178.00 178.01 3i3o h SER 233 N 0.00 0.00 0.00 1.44 4.64 -1.62 -0.28 113.55 117.73 3i3o h SER 233 Ca -0.00 -0.06 -0.28 0.00 -0.47 0.00 0.00 61.79 60.98 3i3o h SER 233 Cb 0.04 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.08 3i3o h SER 233 CO 0.00 0.03 -2.06 -1.54 -0.87 0.00 0.00 176.83 172.39 3i3o n SER 234 N -2.59 2.41 -4.95 4.97 3.41 -0.88 -4.59 113.62 111.40 3i3o n SER 234 Ca 0.03 -0.09 -0.24 0.00 -0.26 0.00 0.00 58.87 58.31 3i3o n SER 234 Cb 0.50 -0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.27 3i3o n SER 234 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3i3o s PHE 235 N -2.37 3.47 0.83 7.33 0.08 -0.04 -4.55 117.98 122.73 3i3o s PHE 235 Ca -0.23 0.15 -0.11 0.00 0.12 0.00 0.00 56.93 56.85 3i3o s PHE 235 Cb 0.06 -1.71 0.09 0.00 -0.57 0.00 0.00 43.02 40.89 3i3o s PHE 235 CO 0.45 0.38 1.09 0.16 -0.10 0.00 0.00 175.22 177.20 3i3o s ASP 236 N -3.70 4.11 0.18 1.36 -4.77 -1.26 -4.71 116.67 107.88 3i3o s ASP 236 Ca 0.36 1.45 -0.14 0.00 -3.30 0.00 0.00 52.55 50.92 3i3o s ASP 236 Cb -0.10 -2.16 0.15 0.00 -1.09 0.00 0.00 42.92 39.72 3i3o s ASP 236 CO 0.30 -2.23 1.71 -0.33 0.70 0.00 0.00 175.17 175.33 3i3o h GLU 237 N -1.27 0.19 -0.46 2.11 5.08 -1.94 -1.12 114.58 117.17 3i3o h GLU 237 Ca -0.48 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 57.74 3i3o h GLU 237 Cb 1.27 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3i3o h GLU 237 CO 0.56 0.13 -0.23 0.87 -1.00 0.00 0.00 179.01 179.34 3i3o h LYS 238 N 0.20 0.97 0.05 2.33 6.56 -1.94 0.40 116.57 125.14 3i3o h LYS 238 Ca 0.22 -0.43 0.02 0.00 -1.06 0.00 0.00 60.65 59.40 3i3o h LYS 238 Cb 0.30 -0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 31.90 3i3o h LYS 238 CO -0.31 1.10 -0.17 -0.22 -2.06 0.00 0.00 179.45 177.79 3i3o h LYS 239 N 0.82 -0.30 -0.64 3.15 1.63 -1.89 -1.87 116.57 117.47 3i3o h LYS 239 Ca 0.10 0.02 0.10 0.00 -0.85 0.00 0.00 60.65 60.02 3i3o h LYS 239 Cb 0.81 0.07 -0.08 0.00 -0.60 0.00 0.00 32.23 32.44 3i3o h LYS 239 CO 0.07 -0.20 0.25 0.28 -3.45 0.00 0.00 179.45 176.40 3i3o h VAL 240 N -0.31 0.76 -0.09 2.00 2.07 -1.07 -1.53 116.25 118.09 3i3o h VAL 240 Ca 0.04 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.44 3i3o h VAL 240 Cb 0.35 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3i3o h VAL 240 CO -0.13 0.08 0.09 0.77 0.02 0.00 0.00 177.57 178.40 3i3o h SER 241 N 0.43 0.00 -0.25 0.57 4.64 -0.15 -1.80 113.55 116.99 3i3o h SER 241 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3i3o h SER 241 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3i3o h SER 241 CO -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.64 3i3o n GLN 242 N -3.96 2.08 -1.66 4.77 6.02 -0.64 -0.37 117.38 123.62 3i3o n GLN 242 Ca -0.01 -1.94 -0.49 0.00 -0.01 0.00 0.00 57.00 54.55 3i3o n GLN 242 Cb 0.19 -1.39 -0.05 0.00 1.02 0.00 0.00 30.24 30.01 3i3o n GLN 242 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3i3o n PHE 243 N 1.11 2.10 0.00 1.08 7.35 -0.68 -1.48 117.46 126.94 3i3o n PHE 243 Ca 0.14 0.31 0.00 0.00 -0.76 0.00 0.00 57.45 57.14 3i3o n PHE 243 Cb 0.50 -2.52 0.00 0.00 0.35 0.00 0.00 39.48 37.81 3i3o n PHE 243 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3i3o n GLY 244 N 3.56 2.79 0.32 7.13 0.00 -1.26 -4.15 105.19 113.57 3i3o n GLY 244 Ca 0.20 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.40 3i3o n GLY 244 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i3o h SER 245 N 0.00 0.00 1.00 1.61 4.64 -1.51 -2.82 113.55 116.47 3i3o h SER 245 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i3o h SER 245 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3i3o h SER 245 CO 0.00 0.00 -0.19 -0.46 -0.87 0.00 0.00 176.83 175.31 3i3o n ASN 246 N -3.55 0.40 -4.92 4.97 6.94 -1.26 -4.58 115.26 113.26 3i3o n ASN 246 Ca -0.03 0.32 -0.26 0.00 -0.02 0.00 0.00 54.58 54.59 3i3o n ASN 246 Cb 0.10 -0.33 0.01 0.00 -2.36 0.00 0.00 39.78 37.19 3i3o n ASN 246 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 3i3o s VAL 247 N -3.05 4.55 0.44 3.53 -7.23 -1.13 -4.96 120.40 112.56 3i3o s VAL 247 Ca 0.11 0.02 0.11 0.00 -1.81 0.00 0.00 61.98 60.41 3i3o s VAL 247 Cb 0.16 -3.73 0.28 0.00 0.56 0.00 0.00 36.38 33.65 3i3o s VAL 247 CO 0.61 -0.68 2.06 -0.65 -0.31 0.00 0.00 175.10 176.13 3i3o h PRO 248 N 0.21 0.37 0.00 4.82 0.11 -1.83 0.37 132.00 136.04 3i3o h PRO 248 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3i3o h PRO 248 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3i3o h PRO 248 CO 0.61 0.24 0.00 -1.33 -0.21 0.00 0.00 178.00 177.31 3i3o n MET 249 N -4.49 0.22 -2.63 1.05 2.81 -0.50 -4.90 117.12 108.69 3i3o n MET 249 Ca 0.03 0.08 -0.21 0.00 -1.81 0.00 0.00 57.70 55.79 3i3o n MET 249 Cb 0.14 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.16 3i3o n MET 249 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3i3o n GLN 250 N -1.35 -2.83 -3.51 0.03 6.02 0.12 -4.95 117.38 110.90 3i3o n GLN 250 Ca 0.09 0.96 -0.13 0.00 -0.01 0.00 0.00 57.00 57.90 3i3o n GLN 250 Cb 0.21 -5.69 -0.04 0.00 1.02 0.00 0.00 30.24 25.74 3i3o n GLN 250 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3i3o s ARG 251 N -5.29 1.15 0.74 -1.09 1.70 -1.08 -4.60 118.95 110.47 3i3o s ARG 251 Ca 0.11 -0.31 -0.11 0.00 -0.47 0.00 0.00 55.73 54.95 3i3o s ARG 251 Cb -0.05 0.53 0.03 0.00 -0.57 0.00 0.00 34.95 34.89 3i3o s ARG 251 CO 0.14 -0.45 1.10 -1.25 -1.08 0.00 0.00 175.30 173.75 3i3o s PRO 252 N -2.95 2.59 0.59 3.89 0.04 -1.26 -4.75 135.00 133.16 3i3o s PRO 252 Ca -0.03 0.51 -0.07 0.00 0.04 0.00 0.00 61.00 61.45 3i3o s PRO 252 Cb -0.00 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 3i3o s PRO 252 CO -0.06 -1.23 0.93 0.20 0.04 0.00 0.00 177.00 176.88 3i3o s GLY 253 N -4.23 1.59 0.01 0.56 0.00 0.83 -4.86 107.32 101.23 3i3o s GLY 253 Ca 0.59 -0.52 -0.00 0.00 0.00 0.00 0.00 44.72 44.79 3i3o s GLY 253 CO 0.52 -0.24 0.11 1.20 0.00 0.00 0.00 173.10 174.69 3i3o s GLN 254 N -5.03 3.13 0.42 2.90 -1.52 -1.26 -0.62 119.66 117.68 3i3o s GLN 254 Ca 0.53 -0.48 0.17 0.00 -1.95 0.00 0.00 55.36 53.63 3i3o s GLN 254 Cb -0.11 -2.89 1.08 0.00 -0.22 0.00 0.00 33.01 30.87 3i3o s GLN 254 CO 0.47 0.64 1.86 -1.35 -0.25 0.00 0.00 175.29 176.66 3i3o h PRO 255 N 3.86 0.40 0.00 2.91 0.11 -1.74 0.12 132.00 137.66 3i3o h PRO 255 Ca -0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3i3o h PRO 255 Cb 1.18 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3i3o h PRO 255 CO 0.65 0.26 -0.05 0.10 -0.21 0.00 0.00 178.00 178.75 3i3o h TYR 256 N 0.41 0.00 0.00 0.65 -0.00 -1.55 -1.07 116.97 115.41 3i3o h TYR 256 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.19 3i3o h TYR 256 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.86 3i3o h TYR 256 CO -0.00 0.05 0.00 0.39 -0.00 0.00 0.00 178.16 178.60 3i3o n GLU 257 N -3.71 0.11 -0.03 0.10 1.02 0.42 -2.94 120.64 115.62 3i3o n GLU 257 Ca -0.02 0.30 -0.11 0.00 -0.02 0.00 0.00 57.16 57.30 3i3o n GLU 257 Cb 0.15 -1.69 -0.14 0.00 -0.02 0.00 0.00 31.44 29.73 3i3o n GLU 257 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3i3o n LEU 258 N -1.90 1.12 -0.25 -4.62 4.32 -0.41 -4.61 117.00 110.66 3i3o n LEU 258 Ca 0.03 0.33 0.04 0.00 -0.02 0.00 0.00 56.01 56.39 3i3o n LEU 258 Cb 0.24 -0.03 0.16 0.00 -1.62 0.00 0.00 43.42 42.17 3i3o n LEU 258 CO 0.19 0.49 1.02 0.00 -1.22 0.00 0.00 177.39 177.87 3i3o h ALA 259 N 0.83 1.00 0.00 -1.18 0.00 -1.50 -2.38 119.26 116.02 3i3o h ALA 259 Ca -0.34 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3i3o h ALA 259 Cb 2.04 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.89 3i3o h ALA 259 CO 0.07 -0.18 -0.12 -1.35 0.00 0.00 0.00 179.25 177.67 3i3o h PRO 260 N 0.46 0.00 -0.36 0.00 0.11 -1.82 0.03 132.00 130.43 3i3o h PRO 260 Ca 0.38 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.47 3i3o h PRO 260 Cb 0.54 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 3i3o h PRO 260 CO -0.36 0.12 0.12 0.00 -0.21 0.00 0.00 178.00 177.67 3i3o h ALA 261 N 1.88 0.47 -0.72 -0.75 0.00 -1.72 0.15 119.26 118.57 3i3o h ALA 261 Ca -0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3i3o h ALA 261 Cb 0.26 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3i3o h ALA 261 CO 0.02 0.10 0.19 1.88 0.00 0.00 0.00 179.25 181.43 3i3o h TYR 262 N 0.43 1.20 -0.39 0.00 0.05 -1.29 -1.50 116.97 115.48 3i3o h TYR 262 Ca 0.12 -0.14 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 3i3o h TYR 262 Cb 0.23 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 37.61 3i3o h TYR 262 CO 0.00 0.96 0.16 0.28 -1.05 0.00 0.00 178.16 178.52 3i3o h VAL 263 N 1.09 1.19 0.07 -2.88 2.07 -0.78 0.49 116.25 117.50 3i3o h VAL 263 Ca 0.23 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 67.19 3i3o h VAL 263 Cb 0.36 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 3i3o h VAL 263 CO 0.00 0.21 -0.32 0.22 0.02 0.00 0.00 177.57 177.70 3i3o h TYR 264 N 0.48 -0.87 -0.09 1.57 3.20 -0.51 -1.31 116.97 119.44 3i3o h TYR 264 Ca 0.13 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 3i3o h TYR 264 Cb 0.18 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 3i3o h TYR 264 CO -0.00 -0.42 -0.18 -0.07 -1.64 0.00 0.00 178.16 175.85 3i3o h LEU 265 N -0.51 0.14 -0.19 2.82 3.38 -1.14 -3.11 115.31 116.69 3i3o h LEU 265 Ca 0.04 -0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.78 3i3o h LEU 265 Cb 0.57 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 3i3o h LEU 265 CO -0.22 0.34 -0.93 0.00 0.09 0.00 0.00 178.44 177.72 3i3o h ALA 266 N 1.68 0.47 -2.11 1.53 0.00 -0.52 -3.46 119.26 116.85 3i3o h ALA 266 Ca 0.03 -0.79 -0.46 0.00 0.00 0.00 0.00 54.91 53.69 3i3o h ALA 266 Cb 0.41 -0.10 0.05 0.00 0.00 0.00 0.00 17.79 18.15 3i3o h ALA 266 CO 0.03 1.03 0.06 -1.54 0.00 0.00 0.00 179.25 178.83 3i3o s SER 267 N -6.86 5.42 0.00 0.00 1.04 -0.53 -4.87 113.70 107.90 3i3o s SER 267 Ca -0.01 0.35 0.10 0.00 0.48 0.00 0.00 55.95 56.87 3i3o s SER 267 Cb 0.10 -1.31 0.52 0.00 0.10 0.00 0.00 66.02 65.42 3i3o s SER 267 CO 0.82 -1.09 1.21 -1.54 0.98 0.00 0.00 173.24 173.62 3i3o n SER 268 N -2.45 0.00 0.11 7.02 3.41 -1.26 -2.11 113.62 118.35 3i3o n SER 268 Ca 0.05 0.13 0.17 0.00 -0.26 0.00 0.00 58.87 58.96 3i3o n SER 268 Cb 0.59 -0.28 0.73 0.00 -0.26 0.00 0.00 64.21 64.99 3i3o n SER 268 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3i3o h ASP 269 N 0.00 0.00 -0.57 4.04 3.32 -1.91 -2.26 116.42 119.04 3i3o h ASP 269 Ca 0.00 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.74 3i3o h ASP 269 Cb 0.09 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 39.46 3i3o h ASP 269 CO 0.00 0.00 0.12 -1.54 -1.72 0.00 0.00 179.24 176.10 3i3o n SER 270 N -4.18 3.18 0.08 6.45 3.41 -0.90 -4.78 113.62 116.88 3i3o n SER 270 Ca 0.05 -3.75 0.21 0.00 -0.26 0.00 0.00 58.87 55.11 3i3o n SER 270 Cb 0.43 -0.69 0.74 0.00 -0.26 0.00 0.00 64.21 64.43 3i3o n SER 270 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3i3o h SER 271 N 1.11 0.00 -0.59 4.04 4.64 -1.59 0.85 113.55 122.02 3i3o h SER 271 Ca 0.36 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.56 3i3o h SER 271 Cb 1.92 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.93 3i3o h SER 271 CO 0.66 0.00 0.13 0.00 -0.87 0.00 0.00 176.83 176.75 3i3o n TYR 272 N -3.74 2.01 -4.14 4.77 9.36 -1.26 -4.91 117.16 119.24 3i3o n TYR 272 Ca 0.08 -1.06 -0.31 0.00 3.32 0.00 0.00 57.90 59.93 3i3o n TYR 272 Cb 0.63 -0.57 -0.16 0.00 -0.63 0.00 0.00 39.34 38.61 3i3o n TYR 272 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3i3o s VAL 273 N -2.93 1.79 -0.06 2.97 1.01 0.29 -5.11 120.40 118.35 3i3o s VAL 273 Ca 0.52 -0.78 -0.17 0.00 0.00 0.00 0.00 61.98 61.56 3i3o s VAL 273 Cb 0.42 -1.64 0.03 0.00 0.00 0.00 0.00 36.38 35.19 3i3o s VAL 273 CO 0.12 0.50 0.39 0.28 0.00 0.00 0.00 175.10 176.39 3i3o s THR 274 N 1.32 0.03 0.00 3.92 -1.32 -1.26 -4.70 115.64 113.63 3i3o s THR 274 Ca 0.03 -0.26 0.00 0.00 -1.21 0.00 0.00 61.69 60.25 3i3o s THR 274 Cb -0.13 -0.65 0.00 0.00 -1.51 0.00 0.00 72.50 70.21 3i3o s THR 274 CO -0.10 -0.14 0.00 0.61 -2.21 0.00 0.00 174.62 172.77 3i3o n GLY 275 N 1.75 0.43 3.83 6.08 0.00 0.13 -4.97 105.19 112.45 3i3o n GLY 275 Ca -0.18 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 44.95 3i3o n GLY 275 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i3o s GLN 276 N -1.18 2.34 -0.03 1.61 -1.52 -1.26 -4.69 119.66 114.94 3i3o s GLN 276 Ca 0.00 -1.79 0.04 0.00 -1.95 0.00 0.00 55.36 51.65 3i3o s GLN 276 Cb 0.00 -2.14 -0.00 0.00 -0.22 0.00 0.00 33.01 30.64 3i3o s GLN 276 CO 0.00 -0.28 -0.14 1.41 -0.25 0.00 0.00 175.29 176.03 3i3o s MET 277 N -4.08 1.33 -0.23 2.91 1.75 -1.26 0.09 119.30 119.80 3i3o s MET 277 Ca 0.41 -0.48 -0.07 0.00 -1.25 0.00 0.00 55.69 54.31 3i3o s MET 277 Cb -0.00 -1.21 -0.03 0.00 2.84 0.00 0.00 34.83 36.43 3i3o s MET 277 CO 0.24 0.21 0.05 0.42 -0.65 0.00 0.00 175.02 175.29 3i3o s ILE 278 N -0.00 4.21 -0.40 10.11 -1.09 -0.43 -4.96 121.20 128.63 3i3o s ILE 278 Ca -0.01 -0.21 -0.18 0.00 -2.23 0.00 0.00 60.65 58.02 3i3o s ILE 278 Cb -0.09 -2.94 0.01 0.00 -1.58 0.00 0.00 42.46 37.86 3i3o s ILE 278 CO 0.01 0.37 0.49 -1.00 -1.23 0.00 0.00 174.94 173.58 3i3o s HIS 279 N 1.37 3.15 -0.57 3.97 3.76 -1.26 -0.81 115.29 124.91 3i3o s HIS 279 Ca 0.05 -0.17 0.03 0.00 -0.15 0.00 0.00 55.06 54.82 3i3o s HIS 279 Cb -0.15 -2.98 0.14 0.00 1.11 0.00 0.00 32.58 30.71 3i3o s HIS 279 CO 0.03 -0.68 0.32 0.08 -0.85 0.00 0.00 174.74 173.64 3i3o s VAL 280 N 2.32 2.78 -0.00 -0.90 1.01 -0.97 -4.91 120.40 119.72 3i3o s VAL 280 Ca 0.15 -3.45 0.00 0.00 0.00 0.00 0.00 61.98 58.69 3i3o s VAL 280 Cb -0.16 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.33 3i3o s VAL 280 CO 0.15 -0.84 0.60 -0.46 0.00 0.00 0.00 175.10 174.54 3i3o n ASN 281 N 2.95 0.10 0.00 3.32 0.23 -1.26 -1.33 115.26 119.27 3i3o n ASN 281 Ca 0.08 -1.20 0.00 0.00 -0.53 0.00 0.00 54.58 52.93 3i3o n ASN 281 Cb 0.33 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.00 3i3o n ASN 281 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3i3o n GLY 282 N -0.03 0.48 0.00 4.83 0.00 -1.26 -4.08 105.19 105.14 3i3o n GLY 282 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3i3o n GLY 282 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3o n GLY 283 N -2.94 0.87 3.67 -0.02 0.00 -1.26 -1.41 105.19 104.10 3i3o n GLY 283 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3i3o n GLY 283 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i3o s VAL 284 N -2.00 3.60 -0.06 1.61 1.01 -1.26 -4.71 120.40 118.60 3i3o s VAL 284 Ca 0.00 0.82 -0.30 0.00 0.00 0.00 0.00 61.98 62.50 3i3o s VAL 284 Cb 0.00 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 3i3o s VAL 284 CO 0.00 -0.05 1.07 -0.63 0.00 0.00 0.00 175.10 175.49 3i3o s ILE 285 N 3.54 4.59 -0.09 2.22 -1.09 -1.26 -4.93 121.20 124.19 3i3o s ILE 285 Ca 0.70 1.87 0.12 0.00 -2.23 0.00 0.00 60.65 61.12 3i3o s ILE 285 Cb -0.33 -4.20 0.20 0.00 -1.58 0.00 0.00 42.46 36.55 3i3o s ILE 285 CO 0.28 0.04 1.10 1.33 -1.23 0.00 0.00 174.94 176.47 3i3o n VAL 286 N 4.39 1.20 -3.57 2.92 0.24 -1.26 -4.96 118.33 117.29 3i3o n VAL 286 Ca 0.09 -1.51 -0.23 0.00 -2.04 0.00 0.00 64.34 60.64 3i3o n VAL 286 Cb 0.48 0.05 0.08 0.00 -1.47 0.00 0.00 33.84 32.98 3i3o n VAL 286 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3i3o n ASN 287 N -0.86 -6.20 -0.40 -1.34 5.15 -1.26 -5.01 115.26 105.33 3i3o n ASN 287 Ca 0.10 -0.53 0.14 0.00 -0.60 0.00 0.00 54.58 53.70 3i3o n ASN 287 Cb 0.68 -4.91 0.59 0.00 -0.53 0.00 0.00 39.78 35.61 3i3o n ASN 287 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27