#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1joa s LYS 2 N 0.00 2.06 -0.07 3.17 2.20 -1.26 -0.01 119.74 125.83 1joa s LYS 2 Ca 0.00 -0.90 -0.01 0.00 -0.36 0.00 0.00 55.97 54.70 1joa s LYS 2 Cb 0.00 -1.98 0.03 0.00 -1.51 0.00 0.00 37.83 34.37 1joa s LYS 2 CO 0.00 0.53 -0.01 0.08 -0.36 0.00 0.00 175.35 175.59 1joa s VAL 3 N -0.57 0.43 -0.09 4.02 1.01 0.14 -1.45 120.40 123.89 1joa s VAL 3 Ca 0.09 0.08 -0.12 0.00 0.00 0.00 0.00 61.98 62.03 1joa s VAL 3 Cb -0.10 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 1joa s VAL 3 CO -0.01 0.27 0.29 -0.63 0.00 0.00 0.00 175.10 175.02 1joa s ILE 4 N 1.89 5.26 -0.16 2.22 1.01 -1.11 -0.77 121.20 129.54 1joa s ILE 4 Ca 0.04 0.56 0.01 0.00 0.00 0.00 0.00 60.65 61.25 1joa s ILE 4 Cb -0.12 -3.60 0.02 0.00 0.01 0.00 0.00 42.46 38.77 1joa s ILE 4 CO -0.05 0.52 -0.17 -0.69 0.00 0.00 0.00 174.94 174.55 1joa s VAL 5 N -0.49 1.82 -0.22 2.92 1.01 0.63 -1.56 120.40 124.51 1joa s VAL 5 Ca 0.19 -0.79 -0.13 0.00 0.00 0.00 0.00 61.98 61.25 1joa s VAL 5 Cb -0.14 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1joa s VAL 5 CO 0.07 0.50 0.28 -0.22 0.00 0.00 0.00 175.10 175.73 1joa s LEU 6 N 1.37 4.13 0.00 3.92 0.20 -0.76 -0.56 118.68 126.98 1joa s LEU 6 Ca 0.05 0.32 0.00 0.00 0.69 0.00 0.00 54.13 55.18 1joa s LEU 6 Cb -0.13 -2.31 0.00 0.00 -0.43 0.00 0.00 46.19 43.32 1joa s LEU 6 CO -0.11 -0.01 0.00 0.61 -0.29 0.00 0.00 176.35 176.55 1joa n GLY 7 N 4.10 2.62 0.90 7.98 0.00 -0.10 -1.41 105.19 119.29 1joa n GLY 7 Ca -0.12 -1.45 0.09 0.00 0.00 0.00 0.00 46.02 44.54 1joa n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1joa n SER 8 N 0.00 3.89 -1.60 1.61 3.41 -1.26 -3.69 113.62 115.98 1joa n SER 8 Ca 0.00 -3.03 0.00 0.00 -0.26 0.00 0.00 58.87 55.58 1joa n SER 8 Cb 0.00 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 1joa n SER 8 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1joa n SER 9 N -0.51 0.00 -0.12 4.04 2.88 -1.26 -2.97 113.62 115.67 1joa n SER 9 Ca 0.22 -0.65 -0.09 0.00 -1.33 0.00 0.00 58.87 57.02 1joa n SER 9 Cb 0.90 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.33 1joa n SER 9 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1joa h HIS 10 N -0.18 -1.08 -0.38 0.66 3.86 -1.93 -1.31 115.15 114.79 1joa h HIS 10 Ca 0.00 0.06 -0.13 0.00 -1.16 0.00 0.00 60.37 59.14 1joa h HIS 10 Cb 0.00 0.53 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 1joa h HIS 10 CO 0.00 -0.42 -0.28 0.78 0.86 0.00 0.00 177.93 178.87 1joa h GLY 11 N -0.29 0.88 0.94 2.45 0.00 -1.89 -2.21 103.07 102.94 1joa h GLY 11 Ca 0.16 -0.80 -0.04 0.00 0.00 0.00 0.00 47.33 46.64 1joa h GLY 11 CO -0.56 0.73 -0.49 -1.33 0.00 0.00 0.00 176.54 174.89 1joa h GLY 12 N 0.93 -1.40 0.14 4.60 0.00 -1.61 -2.17 103.07 103.57 1joa h GLY 12 Ca 0.08 0.54 0.12 0.00 0.00 0.00 0.00 47.33 48.07 1joa h GLY 12 CO 0.07 -0.50 0.15 -1.82 0.00 0.00 0.00 176.54 174.44 1joa h TYR 13 N -1.31 0.23 0.00 5.60 3.20 -1.25 -1.92 116.97 121.52 1joa h TYR 13 Ca -0.13 0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.65 1joa h TYR 13 Cb 1.02 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.26 1joa h TYR 13 CO -0.04 -0.03 -0.62 0.93 -1.64 0.00 0.00 178.16 176.76 1joa h GLU 14 N 0.28 0.00 -0.86 1.82 4.39 -1.36 -0.80 114.58 118.05 1joa h GLU 14 Ca 0.34 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.01 1joa h GLU 14 Cb 0.51 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.12 1joa h GLU 14 CO -0.42 0.62 0.45 0.00 -1.16 0.00 0.00 179.01 178.50 1joa h ALA 15 N 1.38 1.10 0.00 3.43 0.00 -0.68 -1.24 119.26 123.25 1joa h ALA 15 Ca -0.01 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.58 1joa h ALA 15 Cb 1.12 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1joa h ALA 15 CO 0.08 0.63 -0.87 -0.39 0.00 0.00 0.00 179.25 178.71 1joa h VAL 16 N 1.21 1.57 0.10 0.00 -1.51 -0.94 -0.02 116.25 116.66 1joa h VAL 16 Ca 0.30 -2.83 0.01 0.00 -1.23 0.00 0.00 66.70 62.95 1joa h VAL 16 Cb 0.06 2.55 -0.02 0.00 -2.13 0.00 0.00 31.29 31.75 1joa h VAL 16 CO -0.04 0.81 -0.18 -0.33 -1.23 0.00 0.00 177.57 176.60 1joa h GLU 17 N 0.03 -0.34 0.00 5.19 4.39 -0.95 -0.59 114.58 122.32 1joa h GLU 17 Ca -0.02 0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1joa h GLU 17 Cb 1.51 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 30.23 1joa h GLU 17 CO 0.12 -0.23 -0.30 1.49 -1.16 0.00 0.00 179.01 178.93 1joa h GLU 18 N -0.35 0.00 -0.65 2.33 4.57 -1.12 -1.52 114.58 117.85 1joa h GLU 18 Ca 0.03 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1joa h GLU 18 Cb 0.37 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.93 1joa h GLU 18 CO -0.10 0.30 0.36 -0.07 -1.18 0.00 0.00 179.01 178.32 1joa h LEU 19 N 0.00 0.80 -1.83 1.64 3.38 -0.48 0.83 115.31 119.65 1joa h LEU 19 Ca -0.00 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1joa h LEU 19 Cb 0.82 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1joa h LEU 19 CO 0.04 0.66 -0.14 -0.07 0.09 0.00 0.00 178.44 179.02 1joa h LEU 20 N 0.88 0.00 0.00 1.67 4.07 -0.12 0.45 115.31 122.26 1joa h LEU 20 Ca 0.23 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.17 1joa h LEU 20 Cb 0.03 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.77 1joa h LEU 20 CO -0.04 0.14 -0.39 0.78 -1.08 0.00 0.00 178.44 177.85 1joa h ASN 21 N 0.00 0.00 1.72 -0.43 -0.26 -0.66 -3.32 115.58 112.62 1joa h ASN 21 Ca -0.00 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.67 1joa h ASN 21 Cb 0.34 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.60 1joa h ASN 21 CO 0.02 0.74 -0.12 -0.07 -1.06 0.00 0.00 177.43 176.93 1joa h LEU 22 N -1.00 0.00 -4.96 1.61 3.38 -0.90 -3.37 115.31 110.08 1joa h LEU 22 Ca -0.02 -0.01 -0.38 0.00 0.09 0.00 0.00 57.88 57.56 1joa h LEU 22 Cb 0.43 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.77 1joa h LEU 22 CO -0.01 0.01 -1.11 1.41 0.09 0.00 0.00 178.44 178.82 1joa n HIS 23 N -2.80 1.54 0.21 1.13 8.25 0.16 -4.93 115.22 118.78 1joa n HIS 23 Ca 0.04 -2.72 0.12 0.00 -0.26 0.00 0.00 57.72 54.90 1joa n HIS 23 Cb 0.50 -0.31 0.61 0.00 1.12 0.00 0.00 29.99 31.91 1joa n HIS 23 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1joa h PRO 24 N 2.85 0.00 -0.62 -0.41 0.13 -1.64 0.17 132.00 132.48 1joa h PRO 24 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1joa h PRO 24 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1joa h PRO 24 CO 0.51 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.88 1joa n ASP 25 N -2.31 3.33 -4.90 1.44 5.75 -1.26 -4.98 116.55 113.61 1joa n ASP 25 Ca -0.01 -2.00 -0.31 0.00 -0.01 0.00 0.00 54.79 52.46 1joa n ASP 25 Cb 0.07 -0.41 -0.04 0.00 -1.03 0.00 0.00 41.12 39.70 1joa n ASP 25 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1joa s ALA 26 N -1.17 3.80 -0.27 2.12 0.00 0.59 -4.48 121.76 122.35 1joa s ALA 26 Ca 0.42 -0.61 -0.28 0.00 0.00 0.00 0.00 51.96 51.48 1joa s ALA 26 Cb 0.22 -2.11 0.01 0.00 0.00 0.00 0.00 23.12 21.24 1joa s ALA 26 CO 0.28 0.61 1.00 -2.00 0.00 0.00 0.00 175.76 175.66 1joa s GLU 27 N -2.82 4.15 -0.09 0.00 2.12 0.98 -4.93 118.70 118.11 1joa s GLU 27 Ca 0.41 1.12 -0.00 0.00 0.36 0.00 0.00 54.97 56.86 1joa s GLU 27 Cb -0.12 -3.69 -0.03 0.00 0.26 0.00 0.00 34.13 30.56 1joa s GLU 27 CO 0.26 -0.72 -0.07 0.42 -0.54 0.00 0.00 175.26 174.61 1joa s ILE 28 N 3.30 3.70 -0.10 -3.70 1.01 -1.26 0.26 121.20 124.42 1joa s ILE 28 Ca 0.42 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.65 1joa s ILE 28 Cb -0.14 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 39.79 1joa s ILE 28 CO 0.10 0.57 -0.23 -1.10 0.00 0.00 0.00 174.94 174.28 1joa s GLN 29 N -0.47 2.94 -0.21 2.79 -0.21 0.05 -2.30 119.66 122.23 1joa s GLN 29 Ca 0.07 -0.84 -0.02 0.00 0.02 0.00 0.00 55.36 54.59 1joa s GLN 29 Cb -0.12 -2.23 0.01 0.00 1.00 0.00 0.00 33.01 31.67 1joa s GLN 29 CO 0.02 0.16 -0.10 -0.46 -2.12 0.00 0.00 175.29 172.79 1joa s TRP 30 N 0.38 2.93 -0.05 0.91 -0.00 -0.12 -0.27 118.94 122.72 1joa s TRP 30 Ca -0.18 -1.33 0.00 0.00 -0.00 0.00 0.00 56.10 54.59 1joa s TRP 30 Cb -0.18 -2.03 -0.03 0.00 -0.00 0.00 0.00 33.47 31.23 1joa s TRP 30 CO 0.08 -0.68 -0.01 0.71 -0.00 0.00 0.00 176.95 177.05 1joa s TYR 31 N 1.38 3.08 -0.08 5.86 1.51 0.28 -0.96 117.35 128.41 1joa s TYR 31 Ca 0.04 0.11 -0.03 0.00 -1.01 0.00 0.00 57.07 56.19 1joa s TYR 31 Cb -0.14 -1.72 0.04 0.00 -0.11 0.00 0.00 41.96 40.02 1joa s TYR 31 CO -0.07 0.44 0.06 -2.00 -1.11 0.00 0.00 175.55 172.87 1joa s GLU 32 N -1.14 0.03 0.51 -0.62 2.56 -0.38 -0.92 118.70 118.75 1joa s GLU 32 Ca 0.16 0.21 0.23 0.00 0.00 0.00 0.00 54.97 55.56 1joa s GLU 32 Cb -0.11 -0.97 1.34 0.00 2.00 0.00 0.00 34.13 36.39 1joa s GLU 32 CO 0.05 -0.43 2.00 -0.22 -0.56 0.00 0.00 175.26 176.10 1joa h LYS 33 N 8.42 0.06 0.00 4.30 3.64 -1.70 0.27 116.57 131.56 1joa h LYS 33 Ca -0.14 -0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.79 1joa h LYS 33 Cb 1.13 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 1joa h LYS 33 CO 0.20 0.04 -0.18 0.41 -2.27 0.00 0.00 179.45 177.65 1joa n GLY 34 N -1.62 2.60 0.14 5.01 0.00 -1.26 -3.68 105.19 106.38 1joa n GLY 34 Ca 0.09 -2.26 0.02 0.00 0.00 0.00 0.00 46.02 43.87 1joa n GLY 34 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1joa h ASP 35 N 0.42 0.00 -3.32 1.61 2.03 -1.94 0.24 116.42 115.46 1joa h ASP 35 Ca -0.27 0.00 -0.65 0.00 -0.73 0.00 0.00 57.03 55.38 1joa h ASP 35 Cb 1.02 0.00 -0.26 0.00 -0.83 0.00 0.00 39.33 39.26 1joa h ASP 35 CO 0.41 0.56 -0.75 0.12 -1.03 0.00 0.00 179.24 178.55 1joa s PHE 36 N -3.08 2.85 -0.06 4.15 2.19 -1.26 -4.81 117.98 117.96 1joa s PHE 36 Ca 0.02 -0.58 -0.27 0.00 0.33 0.00 0.00 56.93 56.43 1joa s PHE 36 Cb 0.09 -1.86 -0.03 0.00 -1.31 0.00 0.00 43.02 39.91 1joa s PHE 36 CO 0.74 -0.18 0.88 0.42 1.83 0.00 0.00 175.22 178.92 1joa s ILE 37 N 0.34 4.91 -1.22 3.12 -1.09 -1.26 -4.56 121.20 121.45 1joa s ILE 37 Ca -0.10 1.82 -0.00 0.00 -2.23 0.00 0.00 60.65 60.14 1joa s ILE 37 Cb -0.16 -4.21 0.00 0.00 -1.58 0.00 0.00 42.46 36.51 1joa s ILE 37 CO 0.05 0.14 0.98 -1.20 -1.23 0.00 0.00 174.94 173.68 1joa n SER 38 N 4.24 -2.10 -4.79 3.58 7.64 -1.16 -4.70 113.62 116.33 1joa n SER 38 Ca 0.04 -0.64 -0.35 0.00 1.01 0.00 0.00 58.87 58.93 1joa n SER 38 Cb 0.50 -5.03 -0.03 0.00 -1.01 0.00 0.00 64.21 58.64 1joa n SER 38 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1joa s PHE 39 N -3.39 3.09 -0.67 1.43 5.36 -1.26 -2.55 117.98 120.00 1joa s PHE 39 Ca 0.02 1.60 -0.16 0.00 -0.96 0.00 0.00 56.93 57.44 1joa s PHE 39 Cb -0.01 -3.13 0.16 0.00 -0.34 0.00 0.00 43.02 39.70 1joa s PHE 39 CO 0.74 -0.83 0.64 -1.17 -1.46 0.00 0.00 175.22 173.14 1joa s LEU 40 N -3.06 6.31 0.00 6.12 2.96 0.15 -4.91 118.68 126.24 1joa s LEU 40 Ca 0.63 -2.12 0.00 0.00 -0.22 0.00 0.00 54.13 52.42 1joa s LEU 40 Cb -0.20 -2.22 0.00 0.00 0.50 0.00 0.00 46.19 44.26 1joa s LEU 40 CO 0.25 -0.78 0.62 -1.20 -1.32 0.00 0.00 176.35 173.92 1joa n SER 41 N 4.89 0.00 0.00 3.68 7.64 -1.26 -3.65 113.62 124.92 1joa n SER 41 Ca -0.02 -1.61 0.00 0.00 1.01 0.00 0.00 58.87 58.25 1joa n SER 41 Cb 0.43 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 1joa n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1joa n GLY 43 N 3.23 0.00 0.29 0.23 0.00 -1.26 -4.55 105.19 103.13 1joa n GLY 43 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1joa n GLY 43 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1joa h MET 44 N 0.00 -0.00 -0.30 1.61 2.86 -1.96 -1.32 114.93 115.81 1joa h MET 44 Ca 0.00 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 1joa h MET 44 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1joa h MET 44 CO 0.00 -0.00 -0.16 0.37 1.06 0.00 0.00 176.91 178.18 1joa h GLN 45 N -0.00 0.53 -0.25 1.72 4.15 -1.94 0.29 115.11 119.60 1joa h GLN 45 Ca 0.38 -0.17 -0.14 0.00 0.77 0.00 0.00 58.65 59.49 1joa h GLN 45 Cb 0.57 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 1joa h GLN 45 CO -0.81 0.67 -0.40 -0.07 -1.93 0.00 0.00 178.83 176.29 1joa h LEU 46 N 0.49 0.64 0.36 -2.39 3.38 -1.65 0.34 115.31 116.46 1joa h LEU 46 Ca 0.08 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1joa h LEU 46 Cb 0.55 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1joa h LEU 46 CO 0.04 0.97 -0.17 0.22 0.09 0.00 0.00 178.44 179.58 1joa h TYR 47 N 0.50 -0.45 -0.54 1.13 3.20 -1.12 0.10 116.97 119.79 1joa h TYR 47 Ca 0.04 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.98 1joa h TYR 47 Cb 0.91 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 39.27 1joa h TYR 47 CO 0.04 -0.13 0.20 -0.07 -1.64 0.00 0.00 178.16 176.56 1joa h LEU 48 N -0.79 0.20 0.00 2.82 3.38 -0.33 -1.32 115.31 119.28 1joa h LEU 48 Ca -0.05 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1joa h LEU 48 Cb 0.52 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1joa h LEU 48 CO 0.08 0.14 0.00 -0.62 0.09 0.00 0.00 178.44 178.13 1joa n GLU 49 N -5.00 0.81 -0.02 1.13 1.02 0.12 -4.91 120.64 113.78 1joa n GLU 49 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1joa n GLU 49 Cb 0.22 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 1joa n GLU 49 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1joa n GLY 50 N 1.07 0.33 0.13 0.62 0.00 -0.50 -4.95 105.19 101.90 1joa n GLY 50 Ca 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.19 1joa n GLY 50 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1joa h LYS 51 N 4.15 0.07 -5.29 1.61 3.64 -1.07 -3.41 116.57 116.27 1joa h LYS 51 Ca 0.00 -0.06 -0.63 0.00 -1.27 0.00 0.00 60.65 58.69 1joa h LYS 51 Cb 0.00 0.01 -0.19 0.00 -0.41 0.00 0.00 32.23 31.65 1joa h LYS 51 CO 0.00 0.76 -0.62 0.08 -2.27 0.00 0.00 179.45 177.40 1joa s VAL 52 N -3.43 4.33 -0.24 2.00 1.01 -0.90 -4.98 120.40 118.20 1joa s VAL 52 Ca -0.02 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.77 1joa s VAL 52 Cb 0.12 -2.93 -0.18 0.00 0.00 0.00 0.00 36.38 33.39 1joa s VAL 52 CO 0.79 0.48 -0.14 0.29 0.00 0.00 0.00 175.10 176.52 1joa n LYS 53 N 3.52 0.67 -2.90 2.72 4.76 -1.26 -4.25 118.16 121.42 1joa n LYS 53 Ca -0.17 0.17 -0.43 0.00 -2.87 0.00 0.00 58.31 55.01 1joa n LYS 53 Cb 0.52 -1.55 -0.05 0.00 -1.84 0.00 0.00 35.03 32.12 1joa n LYS 53 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1joa s ASP 54 N -6.60 6.40 0.65 4.39 2.15 -1.26 -4.92 116.67 117.48 1joa s ASP 54 Ca -0.33 -0.17 0.40 0.00 0.43 0.00 0.00 52.55 52.89 1joa s ASP 54 Cb 0.09 -2.41 2.20 0.00 -0.30 0.00 0.00 42.92 42.49 1joa s ASP 54 CO 0.63 -1.05 2.24 1.62 -0.17 0.00 0.00 175.17 178.44 1joa h VAL 55 N 6.01 0.00 0.00 1.11 3.04 -1.99 -0.61 116.25 123.82 1joa h VAL 55 Ca -0.25 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 1joa h VAL 55 Cb 1.08 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 1joa h VAL 55 CO 1.02 0.00 -0.46 0.78 -1.01 0.00 0.00 177.57 177.90 1joa h ASN 56 N 0.00 0.00 0.92 3.17 2.35 -2.02 -3.04 115.58 116.96 1joa h ASN 56 Ca 0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1joa h ASN 56 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1joa h ASN 56 CO 0.00 0.06 0.00 -1.54 -1.65 0.00 0.00 177.43 174.30 1joa n SER 57 N -2.26 0.46 -3.76 5.81 3.41 -0.23 -4.28 113.62 112.77 1joa n SER 57 Ca 0.04 0.58 -0.42 0.00 -0.26 0.00 0.00 58.87 58.81 1joa n SER 57 Cb 0.45 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 1joa n SER 57 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1joa n VAL 58 N -1.97 4.17 -3.94 -3.33 0.31 -1.15 -4.82 118.33 107.59 1joa n VAL 58 Ca 0.04 -3.91 -0.10 0.00 -0.01 0.00 0.00 64.34 60.36 1joa n VAL 58 Cb 0.29 -2.42 -0.02 0.00 -0.91 0.00 0.00 33.84 30.78 1joa n VAL 58 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1joa s ARG 59 N 1.13 1.91 0.00 5.55 1.70 -1.26 0.32 118.95 128.30 1joa s ARG 59 Ca 0.44 -1.41 0.00 0.00 -0.47 0.00 0.00 55.73 54.30 1joa s ARG 59 Cb 0.12 0.54 0.00 0.00 -0.57 0.00 0.00 34.95 35.04 1joa s ARG 59 CO -0.03 -0.84 0.48 2.48 -1.08 0.00 0.00 175.30 176.31 1joa n TYR 60 N -0.49 0.00 -3.47 5.89 4.11 -1.06 -4.89 117.16 117.25 1joa n TYR 60 Ca -0.03 -0.01 -0.12 0.00 -0.00 0.00 0.00 57.90 57.73 1joa n TYR 60 Cb 0.61 -0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.92 1joa n TYR 60 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.86 178.27 1joa s MET 61 N -0.02 1.07 0.22 -3.48 0.00 -1.26 -5.11 119.30 110.72 1joa s MET 61 Ca 0.00 -0.25 0.10 0.00 0.00 0.00 0.00 55.69 55.54 1joa s MET 61 Cb 0.00 0.49 -0.05 0.00 0.00 0.00 0.00 34.83 35.28 1joa s MET 61 CO 0.00 -0.44 -0.18 0.95 0.00 0.00 0.00 175.02 175.36 1joa s THR 62 N -2.92 2.05 0.08 10.11 -4.23 -1.26 -4.57 115.64 114.89 1joa s THR 62 Ca -0.00 -2.21 -0.30 0.00 -1.18 0.00 0.00 61.69 57.99 1joa s THR 62 Cb -0.01 -2.10 -0.17 0.00 1.34 0.00 0.00 72.50 71.56 1joa s THR 62 CO -0.07 -0.44 1.66 1.23 -0.54 0.00 0.00 174.62 176.46 1joa h GLY 63 N 2.63 -0.65 -0.80 3.99 0.00 -2.00 -3.08 103.07 103.16 1joa h GLY 63 Ca -0.40 0.26 0.15 0.00 0.00 0.00 0.00 47.33 47.33 1joa h GLY 63 CO 0.58 -0.24 -0.34 0.83 0.00 0.00 0.00 176.54 177.37 1joa h GLU 64 N -0.63 -0.04 -0.72 4.80 3.07 -1.97 0.26 114.58 119.35 1joa h GLU 64 Ca -0.06 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.87 1joa h GLU 64 Cb 0.49 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.37 1joa h GLU 64 CO 0.08 -0.03 0.47 -0.22 -1.40 0.00 0.00 179.01 177.92 1joa h LYS 65 N -0.04 0.75 -0.19 2.33 1.63 -1.95 0.62 116.57 119.71 1joa h LYS 65 Ca 0.34 -0.04 -0.19 0.00 -0.85 0.00 0.00 60.65 59.90 1joa h LYS 65 Cb 0.60 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1joa h LYS 65 CO -0.89 0.49 -0.65 0.52 -3.45 0.00 0.00 179.45 175.47 1joa h MET 66 N 0.77 0.69 -0.46 1.90 2.86 -0.52 -2.60 114.93 117.57 1joa h MET 66 Ca 0.31 -0.50 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1joa h MET 66 Cb 0.23 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1joa h MET 66 CO -0.10 1.12 0.29 0.93 1.06 0.00 0.00 176.91 180.21 1joa h GLU 67 N 0.51 0.61 -0.87 1.72 5.08 0.01 0.22 114.58 121.85 1joa h GLU 67 Ca -0.02 -0.04 0.25 0.00 -1.00 0.00 0.00 59.36 58.55 1joa h GLU 67 Cb 1.24 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 1joa h GLU 67 CO 0.13 0.42 0.77 0.77 -1.00 0.00 0.00 179.01 180.10 1joa h SER 68 N 0.61 0.00 -0.63 1.42 0.02 -0.54 0.63 113.55 115.07 1joa h SER 68 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1joa h SER 68 Cb -0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1joa h SER 68 CO -0.03 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.20 1joa n ARG 69 N -3.84 2.57 -0.06 3.45 1.74 0.72 -4.94 116.66 116.29 1joa n ARG 69 Ca 0.18 -2.42 0.00 0.00 -0.77 0.00 0.00 57.85 54.84 1joa n ARG 69 Cb 1.07 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.97 1joa n ARG 69 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1joa n GLY 70 N 1.57 0.97 3.68 -0.13 0.00 0.21 -5.07 105.19 106.42 1joa n GLY 70 Ca 0.22 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 1joa n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1joa s VAL 71 N -2.00 4.87 -0.69 1.61 1.01 -0.87 -4.61 120.40 119.72 1joa s VAL 71 Ca 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 61.98 61.72 1joa s VAL 71 Cb 0.00 -3.17 0.05 0.00 0.00 0.00 0.00 36.38 33.26 1joa s VAL 71 CO 0.00 0.50 1.11 0.20 0.00 0.00 0.00 175.10 176.91 1joa s ASN 72 N 0.05 6.19 -0.33 3.32 0.01 -0.97 -3.55 114.94 119.65 1joa s ASN 72 Ca 0.06 -0.67 -0.15 0.00 -0.71 0.00 0.00 52.86 51.39 1joa s ASN 72 Cb -0.12 -2.49 -0.02 0.00 0.41 0.00 0.00 41.25 39.03 1joa s ASN 72 CO 0.01 -1.61 0.36 -0.69 -1.51 0.00 0.00 177.10 173.65 1joa s VAL 73 N 4.85 5.17 -0.47 1.60 1.01 -1.26 -0.94 120.40 130.35 1joa s VAL 73 Ca 0.29 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.39 1joa s VAL 73 Cb -0.12 -3.79 0.13 0.00 0.00 0.00 0.00 36.38 32.59 1joa s VAL 73 CO 0.13 -0.04 0.25 -0.36 0.00 0.00 0.00 175.10 175.08 1joa s PHE 74 N 2.02 3.52 0.89 5.22 0.08 -0.13 -4.96 117.98 124.62 1joa s PHE 74 Ca 0.12 -2.69 -0.11 0.00 0.12 0.00 0.00 56.93 54.37 1joa s PHE 74 Cb -0.16 -3.12 0.19 0.00 -0.57 0.00 0.00 43.02 39.35 1joa s PHE 74 CO 0.11 -0.90 1.23 -1.54 -0.10 0.00 0.00 175.22 174.02 1joa s SER 75 N 1.09 3.42 -0.61 1.36 1.04 -1.26 -1.25 113.70 117.50 1joa s SER 75 Ca 0.12 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1joa s SER 75 Cb -0.22 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 65.79 1joa s SER 75 CO -0.04 -2.51 0.00 0.59 0.98 0.00 0.00 173.24 172.26 1joa n ASN 76 N -3.49 -2.12 -3.96 7.02 3.02 0.78 -4.78 115.26 111.72 1joa n ASN 76 Ca 0.16 0.26 -0.28 0.00 -0.03 0.00 0.00 54.58 54.69 1joa n ASN 76 Cb 0.60 -2.03 -0.17 0.00 -0.61 0.00 0.00 39.78 37.57 1joa n ASN 76 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1joa s THR 77 N -1.95 1.24 -0.19 3.41 2.01 -0.26 -0.50 115.64 119.39 1joa s THR 77 Ca 0.00 -0.44 -0.05 0.00 0.31 0.00 0.00 61.69 61.51 1joa s THR 77 Cb 0.00 -1.20 -0.02 0.00 0.01 0.00 0.00 72.50 71.28 1joa s THR 77 CO 0.00 0.40 -0.01 -0.70 -0.69 0.00 0.00 174.62 173.62 1joa s GLU 78 N 1.49 3.63 -0.16 4.92 2.12 -0.89 -2.05 118.70 127.77 1joa s GLU 78 Ca 0.02 -0.52 -0.29 0.00 0.36 0.00 0.00 54.97 54.54 1joa s GLU 78 Cb -0.13 -3.05 -0.01 0.00 0.26 0.00 0.00 34.13 31.20 1joa s GLU 78 CO -0.07 0.06 1.22 0.42 -0.54 0.00 0.00 175.26 176.34 1joa s ILE 79 N 0.88 4.35 -0.13 -3.70 1.01 -1.26 -1.45 121.20 120.89 1joa s ILE 79 Ca 0.01 1.64 0.18 0.00 0.00 0.00 0.00 60.65 62.47 1joa s ILE 79 Cb -0.14 -4.05 -0.23 0.00 0.01 0.00 0.00 42.46 38.05 1joa s ILE 79 CO 0.02 -0.12 0.46 0.35 0.00 0.00 0.00 174.94 175.65 1joa n THR 80 N 5.25 1.06 -3.53 2.92 -2.24 -0.04 -4.98 114.28 112.72 1joa n THR 80 Ca 0.13 -0.72 -0.13 0.00 -2.27 0.00 0.00 64.05 61.06 1joa n THR 80 Cb 0.45 -0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 68.13 1joa n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1joa s ALA 81 N -2.86 -1.38 -0.05 6.98 0.00 -1.19 -4.99 121.76 118.27 1joa s ALA 81 Ca -0.07 0.52 0.06 0.00 0.00 0.00 0.00 51.96 52.47 1joa s ALA 81 Cb 0.09 0.55 -0.01 0.00 0.00 0.00 0.00 23.12 23.74 1joa s ALA 81 CO 0.84 -0.59 -0.23 0.42 0.00 0.00 0.00 175.76 176.19 1joa s ILE 82 N -2.94 2.25 -0.69 0.00 1.01 -1.26 -0.97 121.20 118.59 1joa s ILE 82 Ca -0.03 -1.00 0.05 0.00 0.00 0.00 0.00 60.65 59.67 1joa s ILE 82 Cb -0.00 -1.83 0.17 0.00 0.01 0.00 0.00 42.46 40.81 1joa s ILE 82 CO -0.06 0.57 0.49 -1.10 0.00 0.00 0.00 174.94 174.84 1joa s GLN 83 N -0.28 2.39 0.39 2.79 1.11 0.94 -4.96 119.66 122.05 1joa s GLN 83 Ca 0.00 -3.30 0.16 0.00 0.01 0.00 0.00 55.36 52.24 1joa s GLN 83 Cb -0.13 -3.32 0.82 0.00 -1.01 0.00 0.00 33.01 29.37 1joa s GLN 83 CO 0.03 -1.29 1.84 -1.00 0.01 0.00 0.00 175.29 174.87 1joa h PRO 84 N 5.39 0.00 0.06 2.91 0.13 -1.95 -0.13 132.00 138.41 1joa h PRO 84 Ca 0.16 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.03 1joa h PRO 84 Cb 0.76 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.91 1joa h PRO 84 CO 0.70 0.34 -1.02 0.87 -0.23 0.00 0.00 178.00 178.66 1joa h LYS 85 N 0.00 0.59 0.00 0.86 1.79 -1.93 -3.06 116.57 114.82 1joa h LYS 85 Ca -0.00 -0.71 0.00 0.00 -2.18 0.00 0.00 60.65 57.76 1joa h LYS 85 Cb 0.68 0.22 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 1joa h LYS 85 CO 0.04 1.30 0.00 0.39 -1.08 0.00 0.00 179.45 180.10 1joa n GLU 86 N -3.92 0.22 -3.76 3.15 4.71 -0.22 -4.87 120.64 115.95 1joa n GLU 86 Ca -0.12 0.11 -0.25 0.00 -0.01 0.00 0.00 57.16 56.88 1joa n GLU 86 Cb 0.88 -1.50 0.04 0.00 -1.01 0.00 0.00 31.44 29.85 1joa n GLU 86 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1joa n HIS 87 N -1.34 -2.30 -4.22 -0.32 8.25 -0.29 -4.96 115.22 110.04 1joa n HIS 87 Ca 0.09 0.91 -0.12 0.00 -0.26 0.00 0.00 57.72 58.33 1joa n HIS 87 Cb 0.18 -4.39 -0.10 0.00 1.12 0.00 0.00 29.99 26.80 1joa n HIS 87 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1joa s GLN 88 N -6.28 1.09 0.14 -0.41 -0.21 -1.11 -1.84 119.66 111.04 1joa s GLN 88 Ca 0.41 -1.54 0.02 0.00 0.02 0.00 0.00 55.36 54.27 1joa s GLN 88 Cb -0.20 -0.05 -0.04 0.00 1.00 0.00 0.00 33.01 33.72 1joa s GLN 88 CO 0.80 -0.22 -0.04 0.14 -2.12 0.00 0.00 175.29 173.85 1joa s VAL 89 N -3.84 0.75 -0.17 1.09 -7.23 -0.06 -0.04 120.40 110.91 1joa s VAL 89 Ca 0.27 -1.97 -0.05 0.00 -1.81 0.00 0.00 61.98 58.42 1joa s VAL 89 Cb 0.07 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 35.08 1joa s VAL 89 CO 0.05 -0.68 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.26 1joa s THR 90 N -3.60 4.08 0.32 5.32 2.01 -0.15 -0.69 115.64 122.93 1joa s THR 90 Ca 0.18 -0.29 0.10 0.00 0.31 0.00 0.00 61.69 61.99 1joa s THR 90 Cb 0.05 -2.80 -0.06 0.00 0.01 0.00 0.00 72.50 69.70 1joa s THR 90 CO -0.00 0.48 -0.08 0.68 -0.69 0.00 0.00 174.62 175.00 1joa s VAL 91 N 0.43 2.48 -0.08 3.82 -7.23 -0.02 -0.87 120.40 118.94 1joa s VAL 91 Ca -0.02 -2.17 -0.03 0.00 -1.81 0.00 0.00 61.98 57.95 1joa s VAL 91 Cb -0.14 -2.62 0.04 0.00 0.56 0.00 0.00 36.38 34.22 1joa s VAL 91 CO 0.02 -0.26 0.08 -0.75 -0.31 0.00 0.00 175.10 173.88 1joa s LYS 92 N -3.62 -0.03 -0.01 4.82 2.20 -0.53 -0.88 119.74 121.68 1joa s LYS 92 Ca 0.32 0.25 -0.30 0.00 -0.36 0.00 0.00 55.97 55.89 1joa s LYS 92 Cb -0.01 -0.90 -0.06 0.00 -1.51 0.00 0.00 37.83 35.36 1joa s LYS 92 CO 0.17 -0.43 1.60 0.34 -0.36 0.00 0.00 175.35 176.66 1joa s ASP 93 N 2.17 6.69 0.31 1.43 -1.08 -0.03 -2.08 116.67 124.08 1joa s ASP 93 Ca 0.04 2.26 0.18 0.00 -0.52 0.00 0.00 52.55 54.52 1joa s ASP 93 Cb -0.13 -2.55 0.14 0.00 -1.46 0.00 0.00 42.92 38.92 1joa s ASP 93 CO -0.05 -0.87 1.42 -0.07 0.52 0.00 0.00 175.17 176.12 1joa h LEU 94 N 9.43 0.00 0.00 -1.34 3.38 -1.12 0.36 115.31 126.03 1joa h LEU 94 Ca -0.40 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 1joa h LEU 94 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1joa h LEU 94 CO 0.94 0.30 -0.00 1.62 0.09 0.00 0.00 178.44 181.38 1joa h VAL 95 N 0.00 1.59 0.00 1.22 3.04 -1.90 -3.37 116.25 116.83 1joa h VAL 95 Ca -0.02 -2.16 0.00 0.00 -1.01 0.00 0.00 66.70 63.52 1joa h VAL 95 Cb 1.24 2.98 0.00 0.00 -2.01 0.00 0.00 31.29 33.50 1joa h VAL 95 CO 0.04 0.53 -0.16 0.77 -1.01 0.00 0.00 177.57 177.74 1joa h SER 96 N -0.98 0.00 0.00 3.17 4.64 -1.93 -3.47 113.55 114.97 1joa h SER 96 Ca -0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1joa h SER 96 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1joa h SER 96 CO 0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1joa n GLY 97 N 1.17 1.50 3.73 -0.77 0.00 0.13 -5.01 105.19 105.93 1joa n GLY 97 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1joa n GLY 97 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1joa s GLU 98 N -0.29 4.23 0.16 1.61 -6.30 -1.23 -4.70 118.70 112.17 1joa s GLU 98 Ca 0.00 2.34 0.01 0.00 -2.50 0.00 0.00 54.97 54.82 1joa s GLU 98 Cb 0.00 -3.14 -0.04 0.00 0.00 0.00 0.00 34.13 30.95 1joa s GLU 98 CO 0.00 -0.54 0.32 -1.21 0.02 0.00 0.00 175.26 173.85 1joa s GLU 99 N 0.58 3.47 0.24 4.30 2.02 -1.26 -0.85 118.70 127.20 1joa s GLU 99 Ca 0.66 -0.48 -0.21 0.00 0.02 0.00 0.00 54.97 54.97 1joa s GLU 99 Cb -0.43 -2.92 0.03 0.00 0.10 0.00 0.00 34.13 30.91 1joa s GLU 99 CO 0.36 0.48 0.66 0.50 0.02 0.00 0.00 175.26 177.28 1joa s ARG 100 N -3.18 1.61 0.06 1.61 3.52 -0.06 -4.97 118.95 117.53 1joa s ARG 100 Ca 0.36 -0.86 0.06 0.00 -0.13 0.00 0.00 55.73 55.16 1joa s ARG 100 Cb -0.11 0.59 -0.03 0.00 -1.56 0.00 0.00 34.95 33.84 1joa s ARG 100 CO 0.29 -0.72 -0.18 0.14 -0.81 0.00 0.00 175.30 174.02 1joa s VAL 101 N -3.88 1.43 0.04 7.11 -7.23 -1.26 -0.84 120.40 115.77 1joa s VAL 101 Ca 0.09 -1.21 0.07 0.00 -1.81 0.00 0.00 61.98 59.12 1joa s VAL 101 Cb -0.04 -1.28 -0.02 0.00 0.56 0.00 0.00 36.38 35.60 1joa s VAL 101 CO 0.01 0.04 -0.20 -1.61 -0.31 0.00 0.00 175.10 173.03 1joa s GLU 102 N -1.37 1.36 0.18 4.82 0.41 0.13 -4.94 118.70 119.30 1joa s GLU 102 Ca 0.04 -0.92 0.03 0.00 -0.41 0.00 0.00 54.97 53.71 1joa s GLU 102 Cb -0.09 -1.47 -0.03 0.00 -1.78 0.00 0.00 34.13 30.76 1joa s GLU 102 CO 0.02 0.37 0.31 -0.80 -0.49 0.00 0.00 175.26 174.67 1joa s ASN 103 N -1.16 6.32 0.18 -0.19 -0.87 -1.26 -0.88 114.94 117.08 1joa s ASN 103 Ca 0.07 0.13 -0.00 0.00 -1.57 0.00 0.00 52.86 51.49 1joa s ASN 103 Cb -0.09 -1.89 -0.04 0.00 -0.02 0.00 0.00 41.25 39.21 1joa s ASN 103 CO 0.02 0.01 0.08 -0.72 -2.57 0.00 0.00 177.10 173.92 1joa s TYR 104 N -1.83 1.09 -0.18 2.20 -0.85 -0.77 -4.92 117.35 112.10 1joa s TYR 104 Ca 0.34 -1.26 -0.07 0.00 -0.52 0.00 0.00 57.07 55.56 1joa s TYR 104 Cb -0.10 -0.58 -0.08 0.00 0.38 0.00 0.00 41.96 41.57 1joa s TYR 104 CO 0.29 -0.51 -0.22 -0.25 -1.52 0.00 0.00 175.55 173.34 1joa n ASP 105 N -0.22 1.49 -4.25 -0.18 8.00 -0.53 -4.82 116.55 116.04 1joa n ASP 105 Ca -0.02 0.17 -0.24 0.00 0.71 0.00 0.00 54.79 55.40 1joa n ASP 105 Cb 0.65 -0.49 -0.13 0.00 -0.02 0.00 0.00 41.12 41.13 1joa n ASP 105 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1joa s LYS 106 N -2.33 1.26 -0.05 -1.24 -0.14 -1.19 -4.85 119.74 111.19 1joa s LYS 106 Ca -0.25 -1.00 0.04 0.00 -1.36 0.00 0.00 55.97 53.40 1joa s LYS 106 Cb 0.09 -1.41 -0.00 0.00 -1.68 0.00 0.00 37.83 34.82 1joa s LYS 106 CO 0.33 0.35 -0.19 -1.17 -0.76 0.00 0.00 175.35 173.91 1joa s LEU 107 N -1.43 1.94 -0.21 3.17 2.96 0.66 -2.73 118.68 123.03 1joa s LEU 107 Ca 0.07 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 1joa s LEU 107 Cb -0.09 -1.06 0.04 0.00 0.50 0.00 0.00 46.19 45.58 1joa s LEU 107 CO 0.03 0.16 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.45 1joa s ILE 108 N 0.06 1.97 -0.07 6.68 1.01 -0.60 -0.77 121.20 129.47 1joa s ILE 108 Ca -0.05 -1.17 0.03 0.00 0.00 0.00 0.00 60.65 59.45 1joa s ILE 108 Cb -0.13 -1.94 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 1joa s ILE 108 CO 0.03 0.26 -0.13 0.27 0.00 0.00 0.00 174.94 175.36 1joa s ILE 109 N 1.26 3.14 -0.52 2.92 -4.36 0.80 -1.83 121.20 122.61 1joa s ILE 109 Ca -0.01 -0.68 0.06 0.00 -0.26 0.00 0.00 60.65 59.76 1joa s ILE 109 Cb -0.16 -2.25 0.22 0.00 1.25 0.00 0.00 42.46 41.51 1joa s ILE 109 CO -0.09 0.58 0.54 -0.24 0.24 0.00 0.00 174.94 175.96 1joa n SER 110 N 2.54 1.50 0.11 4.36 2.88 -0.50 -1.35 113.62 123.17 1joa n SER 110 Ca -0.17 -2.91 0.13 0.00 -1.33 0.00 0.00 58.87 54.58 1joa n SER 110 Cb 0.52 -0.65 0.43 0.00 -0.75 0.00 0.00 64.21 63.76 1joa n SER 110 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1joa n PRO 111 N 1.69 0.25 0.00 -1.46 -0.04 -1.26 -4.49 135.00 129.69 1joa n PRO 111 Ca 0.25 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 1joa n PRO 111 Cb 0.45 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 1joa n PRO 111 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1joa n GLY 112 N 0.99 2.13 3.37 0.55 0.00 -1.26 -4.63 105.19 106.33 1joa n GLY 112 Ca 0.05 -0.48 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 1joa n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1joa s ALA 113 N -2.00 1.44 -0.00 4.61 0.00 -1.26 -0.71 121.76 123.84 1joa s ALA 113 Ca 0.00 -1.87 -0.08 0.00 0.00 0.00 0.00 51.96 50.02 1joa s ALA 113 Cb 0.00 1.35 0.00 0.00 0.00 0.00 0.00 23.12 24.47 1joa s ALA 113 CO 0.00 -0.72 0.15 0.14 0.00 0.00 0.00 175.76 175.33 1joa s VAL 114 N -3.24 0.07 0.40 0.00 -7.23 0.21 -4.75 120.40 105.87 1joa s VAL 114 Ca 0.37 -0.62 -0.25 0.00 -1.81 0.00 0.00 61.98 59.67 1joa s VAL 114 Cb 0.01 -0.43 -0.11 0.00 0.56 0.00 0.00 36.38 36.42 1joa s VAL 114 CO 0.25 -0.34 1.09 -2.65 -0.31 0.00 0.00 175.10 173.14 1joa n PRO 115 N 1.58 1.53 -2.97 4.82 -0.02 -1.26 0.81 135.00 139.49 1joa n PRO 115 Ca -0.22 0.55 -0.37 0.00 -2.02 0.00 0.00 63.50 61.44 1joa n PRO 115 Cb 0.56 -2.12 -0.06 0.00 -0.02 0.00 0.00 33.50 31.86 1joa n PRO 115 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1joa s PHE 116 N -1.22 3.74 0.08 6.00 5.36 0.33 -4.45 117.98 127.82 1joa s PHE 116 Ca 0.62 1.58 0.09 0.00 -0.96 0.00 0.00 56.93 58.25 1joa s PHE 116 Cb -0.56 -2.75 -0.03 0.00 -0.34 0.00 0.00 43.02 39.34 1joa s PHE 116 CO 0.58 0.35 -0.25 -1.21 -1.46 0.00 0.00 175.22 173.23 1joa s GLU 117 N -1.76 1.50 -0.17 10.12 2.02 -1.26 -4.53 118.70 124.62 1joa s GLU 117 Ca 0.43 -1.15 -0.22 0.00 0.02 0.00 0.00 54.97 54.04 1joa s GLU 117 Cb -0.19 -1.78 -0.02 0.00 0.10 0.00 0.00 34.13 32.24 1joa s GLU 117 CO 0.23 0.44 0.70 -0.51 0.02 0.00 0.00 175.26 176.14 1joa s LEU 118 N -1.56 4.17 -1.31 1.80 1.43 -1.26 -4.95 118.68 117.01 1joa s LEU 118 Ca 0.11 0.98 -0.08 0.00 -1.03 0.00 0.00 54.13 54.11 1joa s LEU 118 Cb -0.10 -3.01 0.14 0.00 0.03 0.00 0.00 46.19 43.25 1joa s LEU 118 CO 0.03 -0.29 2.12 -0.67 0.23 0.00 0.00 176.35 177.78 1joa n ASP 119 N 4.95 6.42 -4.57 2.29 2.03 -1.26 -4.79 116.55 121.62 1joa n ASP 119 Ca 0.00 -3.11 -0.25 0.00 0.52 0.00 0.00 54.79 51.96 1joa n ASP 119 Cb 0.50 -1.43 -0.09 0.00 -0.72 0.00 0.00 41.12 39.38 1joa n ASP 119 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1joa s ILE 120 N -0.20 3.09 0.34 5.18 -4.36 -1.26 -5.05 121.20 118.92 1joa s ILE 120 Ca 0.46 -1.96 -0.28 0.00 -0.26 0.00 0.00 60.65 58.61 1joa s ILE 120 Cb 0.14 -2.60 -0.12 0.00 1.25 0.00 0.00 42.46 41.12 1joa s ILE 120 CO -0.04 -0.29 1.27 -0.81 0.24 0.00 0.00 174.94 175.31 1joa n PRO 121 N -0.49 2.06 -0.25 0.37 -0.04 -1.26 -1.49 135.00 133.89 1joa n PRO 121 Ca -0.08 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 1joa n PRO 121 Cb 0.58 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 1joa n PRO 121 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1joa n GLY 122 N 0.83 1.06 0.00 0.55 0.00 -1.26 -1.23 105.19 105.14 1joa n GLY 122 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1joa n GLY 122 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1joa n LYS 123 N -2.00 0.00 -0.20 1.61 2.85 -0.56 -0.96 118.16 118.90 1joa n LYS 123 Ca 0.00 0.32 0.08 0.00 -1.05 0.00 0.00 58.31 57.66 1joa n LYS 123 Cb 0.00 -1.55 0.19 0.00 -0.65 0.00 0.00 35.03 33.01 1joa n LYS 123 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1joa n ASP 124 N -1.30 3.12 -4.78 -5.58 5.68 -1.26 -5.01 116.55 107.42 1joa n ASP 124 Ca 0.00 -1.92 -0.34 0.00 -0.50 0.00 0.00 54.79 52.03 1joa n ASP 124 Cb 0.05 -0.26 0.01 0.00 -1.14 0.00 0.00 41.12 39.79 1joa n ASP 124 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1joa s LEU 125 N -1.09 3.64 0.75 -2.12 1.43 -0.14 -5.02 118.68 116.14 1joa s LEU 125 Ca 0.30 2.04 -0.12 0.00 -1.03 0.00 0.00 54.13 55.33 1joa s LEU 125 Cb 0.17 -4.56 0.05 0.00 0.03 0.00 0.00 46.19 41.87 1joa s LEU 125 CO 0.23 -1.25 1.10 -1.81 0.23 0.00 0.00 176.35 174.85 1joa s ASP 126 N -2.16 4.55 -1.07 2.29 1.01 -0.70 -3.87 116.67 116.73 1joa s ASP 126 Ca 0.69 1.89 -0.06 0.00 0.71 0.00 0.00 52.55 55.78 1joa s ASP 126 Cb -0.21 -2.53 0.01 0.00 1.01 0.00 0.00 42.92 41.20 1joa s ASP 126 CO 0.31 -2.00 0.93 0.59 0.21 0.00 0.00 175.17 175.20 1joa n ASN 127 N -3.30 -5.04 -4.03 0.27 5.03 -1.26 -0.81 115.26 106.12 1joa n ASN 127 Ca 0.10 -0.44 -0.31 0.00 0.87 0.00 0.00 54.58 54.79 1joa n ASN 127 Cb 0.53 -4.13 -0.15 0.00 -1.02 0.00 0.00 39.78 35.01 1joa n ASN 127 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1joa s ILE 128 N -3.26 2.29 0.45 2.41 1.01 -1.25 -1.66 121.20 121.19 1joa s ILE 128 Ca 0.41 -2.20 0.06 0.00 0.00 0.00 0.00 60.65 58.91 1joa s ILE 128 Cb -0.18 -2.63 0.02 0.00 0.01 0.00 0.00 42.46 39.68 1joa s ILE 128 CO 0.58 -0.49 0.62 -0.31 0.00 0.00 0.00 174.94 175.34 1joa s TYR 129 N 0.95 2.84 0.39 3.97 1.51 -0.03 -4.95 117.35 122.02 1joa s TYR 129 Ca 0.07 -0.28 0.06 0.00 -1.01 0.00 0.00 57.07 55.91 1joa s TYR 129 Cb -0.19 -2.47 -0.07 0.00 -0.11 0.00 0.00 41.96 39.12 1joa s TYR 129 CO -0.07 -0.53 0.03 -0.51 -1.11 0.00 0.00 175.55 173.35 1joa s LEU 130 N -4.46 2.63 -0.50 -1.29 2.01 -1.26 -0.65 118.68 115.15 1joa s LEU 130 Ca 0.55 -1.39 0.03 0.00 0.01 0.00 0.00 54.13 53.33 1joa s LEU 130 Cb -0.10 -0.73 0.15 0.00 0.01 0.00 0.00 46.19 45.52 1joa s LEU 130 CO 0.34 -0.53 0.33 -0.32 1.01 0.00 0.00 176.35 177.19 1joa s MET 131 N -3.77 1.53 -0.26 1.70 1.75 -1.26 -4.87 119.30 114.12 1joa s MET 131 Ca 0.34 -2.39 -0.18 0.00 -1.25 0.00 0.00 55.69 52.20 1joa s MET 131 Cb 0.09 -2.45 0.07 0.00 2.84 0.00 0.00 34.83 35.38 1joa s MET 131 CO 0.16 -1.24 0.67 0.50 -0.65 0.00 0.00 175.02 174.46 1joa s ARG 132 N -0.20 0.72 0.12 4.11 3.52 -1.26 -5.02 118.95 120.93 1joa s ARG 132 Ca 0.23 1.09 0.00 0.00 -0.13 0.00 0.00 55.73 56.92 1joa s ARG 132 Cb -0.13 0.22 0.00 0.00 -1.56 0.00 0.00 34.95 33.48 1joa s ARG 132 CO -0.08 -0.13 0.00 0.41 -0.81 0.00 0.00 175.30 174.69 1joa n GLY 133 N 3.72 -1.69 0.22 8.12 0.00 -1.26 -4.14 105.19 110.16 1joa n GLY 133 Ca -0.18 -1.41 -0.08 0.00 0.00 0.00 0.00 46.02 44.35 1joa n GLY 133 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1joa h ARG 134 N -0.40 0.70 -0.31 1.61 2.43 -1.96 -0.13 114.38 116.33 1joa h ARG 134 Ca -0.00 -0.10 -0.10 0.00 -0.81 0.00 0.00 59.98 58.96 1joa h ARG 134 Cb 0.40 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1joa h ARG 134 CO 0.01 0.59 -0.20 1.96 -1.51 0.00 0.00 179.97 180.82 1joa h GLN 135 N 0.64 0.68 -0.75 0.20 1.08 -2.00 -0.26 115.11 114.70 1joa h GLN 135 Ca 0.17 -0.32 -0.05 0.00 -1.45 0.00 0.00 58.65 57.00 1joa h GLN 135 Cb 0.12 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 1joa h GLN 135 CO -0.02 0.92 0.28 -1.49 -0.95 0.00 0.00 178.83 177.57 1joa h TRP 136 N 0.44 1.16 -0.46 2.96 -0.00 -1.71 -1.39 115.95 116.95 1joa h TRP 136 Ca 0.06 -0.09 0.05 0.00 -0.00 0.00 0.00 58.89 58.91 1joa h TRP 136 Cb 0.75 -0.34 -0.05 0.00 -0.00 0.00 0.00 29.16 29.52 1joa h TRP 136 CO 0.06 0.89 0.19 0.00 -0.00 0.00 0.00 178.44 179.58 1joa h ALA 137 N 1.20 0.57 -0.02 1.49 0.00 -0.47 -0.02 119.26 122.01 1joa h ALA 137 Ca 0.25 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1joa h ALA 137 Cb 0.24 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1joa h ALA 137 CO -0.02 -0.19 0.01 0.82 0.00 0.00 0.00 179.25 179.87 1joa h ILE 138 N 0.38 1.19 -0.76 0.00 2.04 -0.85 -1.82 117.51 117.69 1joa h ILE 138 Ca 0.21 -0.56 0.02 0.00 1.00 0.00 0.00 64.86 65.53 1joa h ILE 138 Cb 0.18 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 1joa h ILE 138 CO -0.19 0.15 0.50 0.11 0.00 0.00 0.00 178.15 178.71 1joa h LYS 139 N -0.19 0.97 -0.70 2.37 1.57 -0.97 -1.65 116.57 117.97 1joa h LYS 139 Ca 0.01 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1joa h LYS 139 Cb 0.24 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1joa h LYS 139 CO 0.00 0.64 0.39 1.25 -0.57 0.00 0.00 179.45 181.16 1joa h LEU 140 N 1.00 0.86 -0.59 2.94 5.85 -0.95 -2.56 115.31 121.86 1joa h LEU 140 Ca 0.29 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1joa h LEU 140 Cb -0.07 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 1joa h LEU 140 CO -0.08 0.70 0.26 0.50 -0.34 0.00 0.00 178.44 179.48 1joa h LYS 141 N 0.95 0.86 -0.32 1.25 3.11 -0.67 -1.72 116.57 120.03 1joa h LYS 141 Ca 0.25 -0.14 -0.06 0.00 -2.81 0.00 0.00 60.65 57.89 1joa h LYS 141 Cb 0.02 -0.15 -0.02 0.00 -1.00 0.00 0.00 32.23 31.08 1joa h LYS 141 CO -0.04 0.71 -0.04 1.96 -2.81 0.00 0.00 179.45 179.23 1joa h GLN 142 N 0.80 0.51 0.00 1.90 1.08 -1.14 -1.48 115.11 116.78 1joa h GLN 142 Ca 0.20 -0.12 -0.06 0.00 -1.45 0.00 0.00 58.65 57.21 1joa h GLN 142 Cb 0.16 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 1joa h GLN 142 CO -0.02 0.57 -0.30 0.87 -0.95 0.00 0.00 178.83 179.00 1joa h LYS 143 N 0.48 0.00 -0.03 1.46 1.79 -0.93 -1.81 116.57 117.53 1joa h LYS 143 Ca 0.10 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.51 1joa h LYS 143 Cb 0.38 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 1joa h LYS 143 CO 0.02 0.30 -0.26 1.79 -1.08 0.00 0.00 179.45 180.22 1joa h THR 144 N 0.00 1.20 -0.13 -0.16 1.35 -0.46 -2.38 112.91 112.33 1joa h THR 144 Ca -0.00 -0.96 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 1joa h THR 144 Cb 0.55 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1joa h THR 144 CO 0.04 0.28 0.00 1.33 -0.25 0.00 0.00 175.52 176.92 1joa n VAL 145 N -4.21 0.15 -2.13 6.82 0.24 -0.99 -4.89 118.33 113.32 1joa n VAL 145 Ca -0.02 -0.54 -0.42 0.00 -2.04 0.00 0.00 64.34 61.32 1joa n VAL 145 Cb 0.33 1.22 -0.03 0.00 -1.47 0.00 0.00 33.84 33.89 1joa n VAL 145 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1joa s ASP 146 N -1.84 6.78 0.00 -1.34 -1.08 -0.72 -4.90 116.67 113.57 1joa s ASP 146 Ca 0.32 2.31 0.06 0.00 -0.52 0.00 0.00 52.55 54.72 1joa s ASP 146 Cb 0.21 -2.57 0.31 0.00 -1.46 0.00 0.00 42.92 39.40 1joa s ASP 146 CO 0.31 -0.73 1.05 -0.81 0.52 0.00 0.00 175.17 175.51 1joa n PRO 147 N 4.69 0.08 0.00 4.34 -0.04 -1.26 -2.85 135.00 139.97 1joa n PRO 147 Ca 0.13 0.24 0.07 0.00 -0.04 0.00 0.00 63.50 63.89 1joa n PRO 147 Cb 0.42 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.40 1joa n PRO 147 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1joa n GLU 148 N -1.30 1.51 -3.38 0.54 1.02 -1.26 -4.85 120.64 112.93 1joa n GLU 148 Ca 0.03 -0.94 -0.38 0.00 -0.02 0.00 0.00 57.16 55.84 1joa n GLU 148 Cb 0.05 -1.21 -0.07 0.00 -0.02 0.00 0.00 31.44 30.19 1joa n GLU 148 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1joa s VAL 149 N -1.45 5.19 0.00 2.62 1.01 -1.13 -4.80 120.40 121.84 1joa s VAL 149 Ca 0.13 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.85 1joa s VAL 149 Cb 0.11 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1joa s VAL 149 CO 0.27 0.26 0.00 0.59 0.00 0.00 0.00 175.10 176.22 1joa n ASN 150 N 4.39 1.60 -4.24 3.32 3.02 -1.26 -4.95 115.26 117.15 1joa n ASN 150 Ca -0.08 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.20 1joa n ASN 150 Cb 0.51 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.53 1joa n ASN 150 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1joa s ASN 151 N -4.30 2.51 -0.01 6.41 0.01 -1.26 -0.81 114.94 117.49 1joa s ASN 151 Ca 0.00 -0.46 0.00 0.00 -0.71 0.00 0.00 52.86 51.69 1joa s ASN 151 Cb 0.00 -0.24 0.02 0.00 0.41 0.00 0.00 41.25 41.43 1joa s ASN 151 CO 0.00 0.21 0.01 0.54 -1.51 0.00 0.00 177.10 176.35 1joa s VAL 152 N -0.65 0.00 -0.16 1.60 0.11 0.18 -0.86 120.40 120.62 1joa s VAL 152 Ca 0.08 0.10 -0.03 0.00 -2.93 0.00 0.00 61.98 59.19 1joa s VAL 152 Cb -0.09 -0.07 -0.02 0.00 -1.53 0.00 0.00 36.38 34.67 1joa s VAL 152 CO 0.01 0.05 -0.05 -0.69 -3.33 0.00 0.00 175.10 171.09 1joa s VAL 153 N 0.55 3.66 -0.14 2.04 1.01 -0.61 -1.79 120.40 125.12 1joa s VAL 153 Ca -0.05 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 1joa s VAL 153 Cb -0.07 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1joa s VAL 153 CO -0.01 0.48 -0.03 0.68 0.00 0.00 0.00 175.10 176.22 1joa s VAL 154 N 0.59 3.97 -0.31 2.92 -7.23 -0.05 -1.75 120.40 118.53 1joa s VAL 154 Ca -0.04 -0.34 -0.11 0.00 -1.81 0.00 0.00 61.98 59.68 1joa s VAL 154 Cb -0.15 -2.72 -0.02 0.00 0.56 0.00 0.00 36.38 34.06 1joa s VAL 154 CO 0.03 0.52 0.19 -0.63 -0.31 0.00 0.00 175.10 174.89 1joa s ILE 155 N 0.04 4.92 0.00 -0.62 1.01 -0.05 -1.91 121.20 124.59 1joa s ILE 155 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.39 1joa s ILE 155 Cb -0.13 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.85 1joa s ILE 155 CO 0.03 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.65 1joa n GLY 156 N 5.03 3.36 1.70 6.18 0.00 -0.48 -0.86 105.19 120.12 1joa n GLY 156 Ca -0.14 -1.16 -0.08 0.00 0.00 0.00 0.00 46.02 44.64 1joa n GLY 156 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1joa n SER 157 N 0.00 3.83 -2.05 1.61 3.41 -1.26 -4.29 113.62 114.87 1joa n SER 157 Ca 0.00 -3.44 0.00 0.00 -0.26 0.00 0.00 58.87 55.17 1joa n SER 157 Cb 0.00 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 1joa n SER 157 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1joa n GLY 158 N -0.71 -0.29 0.41 5.00 0.00 -1.26 -0.98 105.19 107.35 1joa n GLY 158 Ca 0.41 -1.78 -0.08 0.00 0.00 0.00 0.00 46.02 44.58 1joa n GLY 158 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1joa h TYR 159 N -0.59 -1.53 -0.09 1.61 3.20 -1.95 -0.07 116.97 117.55 1joa h TYR 159 Ca 0.00 0.11 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 1joa h TYR 159 Cb 0.00 0.79 -0.00 0.00 1.54 0.00 0.00 36.73 39.05 1joa h TYR 159 CO 0.00 -0.40 -0.04 0.82 -1.64 0.00 0.00 178.16 176.90 1joa h ILE 160 N -0.07 1.31 -0.85 1.81 2.04 -1.93 -0.79 117.51 119.03 1joa h ILE 160 Ca 0.21 -1.04 0.03 0.00 1.00 0.00 0.00 64.86 65.07 1joa h ILE 160 Cb 0.51 1.81 -0.05 0.00 -0.74 0.00 0.00 36.82 38.35 1joa h ILE 160 CO -0.88 0.29 0.56 1.23 0.00 0.00 0.00 178.15 179.35 1joa h GLY 161 N -0.16 1.20 1.13 5.37 0.00 -1.63 0.11 103.07 109.09 1joa h GLY 161 Ca 0.02 -0.42 -0.22 0.00 0.00 0.00 0.00 47.33 46.72 1joa h GLY 161 CO 0.01 0.37 -0.76 -2.22 0.00 0.00 0.00 176.54 173.94 1joa h ILE 162 N 1.06 1.29 -0.87 2.60 1.08 -0.94 -0.52 117.51 121.20 1joa h ILE 162 Ca 0.33 -1.97 0.06 0.00 -0.39 0.00 0.00 64.86 62.90 1joa h ILE 162 Cb 0.02 2.04 -0.06 0.00 -3.07 0.00 0.00 36.82 35.74 1joa h ILE 162 CO -0.10 0.62 0.55 -0.33 -0.69 0.00 0.00 178.15 178.20 1joa h GLU 163 N 0.47 0.98 -0.26 2.37 5.08 -0.23 0.16 114.58 123.15 1joa h GLU 163 Ca -0.06 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 1joa h GLU 163 Cb 1.39 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1joa h GLU 163 CO 0.16 0.65 -0.05 0.00 -1.00 0.00 0.00 179.01 178.76 1joa h ALA 164 N 1.40 0.35 -0.37 3.43 0.00 -0.71 -1.06 119.26 122.32 1joa h ALA 164 Ca 0.37 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1joa h ALA 164 Cb 0.14 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1joa h ALA 164 CO -0.16 0.15 0.17 0.00 0.00 0.00 0.00 179.25 179.41 1joa h ALA 165 N 0.77 0.45 -0.43 0.00 0.00 -0.56 -0.93 119.26 118.56 1joa h ALA 165 Ca 0.07 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1joa h ALA 165 Cb 0.51 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1joa h ALA 165 CO 0.02 -0.20 0.14 1.49 0.00 0.00 0.00 179.25 180.70 1joa h GLU 166 N 0.36 0.67 0.35 0.00 4.81 -0.53 0.12 114.58 120.36 1joa h GLU 166 Ca 0.16 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1joa h GLU 166 Cb 0.08 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 1joa h GLU 166 CO -0.12 0.66 -0.19 0.00 -0.73 0.00 0.00 179.01 178.63 1joa h ALA 167 N 0.99 -0.50 0.00 2.92 0.00 -0.76 -0.25 119.26 121.66 1joa h ALA 167 Ca 0.14 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1joa h ALA 167 Cb 0.26 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1joa h ALA 167 CO -0.00 -0.78 -0.44 0.74 0.00 0.00 0.00 179.25 178.76 1joa h PHE 168 N -0.50 0.00 0.01 0.00 0.04 -1.08 -0.94 116.94 114.47 1joa h PHE 168 Ca -0.04 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.73 1joa h PHE 168 Cb 0.40 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.55 1joa h PHE 168 CO -0.07 0.44 -0.01 0.00 -0.60 0.00 0.00 178.31 178.08 1joa h ALA 169 N 1.56 -0.02 0.00 2.45 0.00 -0.51 -0.92 119.26 121.83 1joa h ALA 169 Ca -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1joa h ALA 169 Cb 0.92 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1joa h ALA 169 CO 0.06 -0.33 -0.10 0.87 0.00 0.00 0.00 179.25 179.75 1joa h LYS 170 N -0.37 0.00 0.00 0.00 1.57 -0.94 -1.29 116.57 115.54 1joa h LYS 170 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1joa h LYS 170 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1joa h LYS 170 CO 0.00 0.10 0.00 0.00 -0.57 0.00 0.00 179.45 178.98 1joa n ALA 171 N -2.35 1.64 0.00 3.86 0.00 -0.37 -4.84 120.51 118.46 1joa n ALA 171 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1joa n ALA 171 Cb 0.19 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1joa n ALA 171 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1joa n GLY 172 N -0.05 0.79 3.94 0.00 0.00 -0.49 -4.95 105.19 104.43 1joa n GLY 172 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1joa n GLY 172 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1joa s LYS 173 N -0.59 2.77 -0.42 1.61 3.01 -0.37 -5.02 119.74 120.72 1joa s LYS 173 Ca 0.00 -0.37 -0.19 0.00 -1.01 0.00 0.00 55.97 54.40 1joa s LYS 173 Cb 0.00 -2.40 0.02 0.00 -1.01 0.00 0.00 37.83 34.44 1joa s LYS 173 CO 0.00 -0.65 0.53 0.15 0.51 0.00 0.00 175.35 175.89 1joa s LYS 174 N -4.84 3.21 -0.02 1.68 1.02 0.01 -4.42 119.74 116.38 1joa s LYS 174 Ca 0.54 -0.56 -0.01 0.00 0.02 0.00 0.00 55.97 55.97 1joa s LYS 174 Cb -0.10 -3.95 -0.04 0.00 -0.52 0.00 0.00 37.83 33.22 1joa s LYS 174 CO 0.41 -0.91 0.06 0.08 -0.92 0.00 0.00 175.35 174.07 1joa s VAL 175 N 2.45 4.61 -0.02 3.17 1.01 -1.26 -0.64 120.40 129.72 1joa s VAL 175 Ca 0.17 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.80 1joa s VAL 175 Cb -0.16 -3.07 -0.00 0.00 0.00 0.00 0.00 36.38 33.15 1joa s VAL 175 CO 0.16 0.41 -0.12 -0.89 0.00 0.00 0.00 175.10 174.65 1joa s THR 176 N -1.12 1.02 -0.26 3.92 2.01 -0.74 -1.57 115.64 118.90 1joa s THR 176 Ca 0.20 -0.51 -0.06 0.00 0.31 0.00 0.00 61.69 61.63 1joa s THR 176 Cb -0.12 -0.88 -0.01 0.00 0.01 0.00 0.00 72.50 71.51 1joa s THR 176 CO 0.11 0.30 0.04 -0.69 -0.69 0.00 0.00 174.62 173.68 1joa s VAL 177 N -0.03 3.84 -0.11 3.82 1.01 0.12 -0.87 120.40 128.19 1joa s VAL 177 Ca -0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 1joa s VAL 177 Cb -0.08 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 1joa s VAL 177 CO 0.00 0.26 -0.01 -0.63 0.00 0.00 0.00 175.10 174.72 1joa s ILE 178 N 1.52 4.18 -0.16 2.22 1.01 -0.80 0.17 121.20 129.33 1joa s ILE 178 Ca 0.04 -0.28 -0.29 0.00 0.00 0.00 0.00 60.65 60.13 1joa s ILE 178 Cb -0.16 -2.78 0.09 0.00 0.01 0.00 0.00 42.46 39.62 1joa s ILE 178 CO 0.01 0.56 0.81 -0.62 0.00 0.00 0.00 174.94 175.70 1joa s ASP 179 N -0.43 -0.59 0.34 3.58 -1.08 -0.61 -1.38 116.67 116.49 1joa s ASP 179 Ca 0.08 0.85 0.04 0.00 -0.52 0.00 0.00 52.55 53.00 1joa s ASP 179 Cb -0.12 0.76 0.61 0.00 -1.46 0.00 0.00 42.92 42.71 1joa s ASP 179 CO 0.02 -0.40 1.88 0.40 0.52 0.00 0.00 175.17 177.59 1joa h ILE 180 N 3.23 1.20 -3.72 4.11 5.03 -1.65 0.88 117.51 126.58 1joa h ILE 180 Ca -0.26 -0.77 -0.55 0.00 -0.12 0.00 0.00 64.86 63.16 1joa h ILE 180 Cb 1.15 0.93 0.18 0.00 -3.03 0.00 0.00 36.82 36.06 1joa h ILE 180 CO 0.25 0.27 0.03 0.18 -0.68 0.00 0.00 178.15 178.19 1joa n LEU 181 N -4.28 3.04 -0.70 1.44 4.77 -1.26 -2.67 117.00 117.33 1joa n LEU 181 Ca 0.02 0.63 0.12 0.00 -0.03 0.00 0.00 56.01 56.74 1joa n LEU 181 Cb 0.24 -1.38 0.13 0.00 -2.33 0.00 0.00 43.42 40.08 1joa n LEU 181 CO 0.39 -2.23 0.54 -0.90 -1.33 0.00 0.00 177.39 173.86 1joa n ASP 182 N -1.65 2.38 -4.08 -1.43 5.68 -1.26 -1.43 116.55 114.75 1joa n ASP 182 Ca 0.12 -1.71 -0.23 0.00 -0.50 0.00 0.00 54.79 52.48 1joa n ASP 182 Cb 0.50 0.17 -0.15 0.00 -1.14 0.00 0.00 41.12 40.50 1joa n ASP 182 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1joa s ARG 183 N -2.20 1.25 0.69 0.11 0.52 -1.26 -4.77 118.95 113.30 1joa s ARG 183 Ca 0.25 -0.47 -0.17 0.00 -0.52 0.00 0.00 55.73 54.82 1joa s ARG 183 Cb 0.19 -1.16 0.01 0.00 0.52 0.00 0.00 34.95 34.52 1joa s ARG 183 CO 0.41 0.23 1.28 -0.35 0.02 0.00 0.00 175.30 176.89 1joa n PRO 184 N 3.00 0.89 -1.37 3.54 -0.04 -1.26 -3.55 135.00 136.21 1joa n PRO 184 Ca -0.16 0.37 -0.12 0.00 -0.04 0.00 0.00 63.50 63.55 1joa n PRO 184 Cb 0.54 -2.51 -0.05 0.00 -0.04 0.00 0.00 33.50 31.44 1joa n PRO 184 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1joa n LEU 185 N -2.25 -0.85 0.33 1.53 4.77 -0.16 -4.86 117.00 115.51 1joa n LEU 185 Ca 0.15 0.28 0.21 0.00 -0.03 0.00 0.00 56.01 56.63 1joa n LEU 185 Cb 0.49 -1.82 1.11 0.00 -2.33 0.00 0.00 43.42 40.86 1joa n LEU 185 CO 0.47 -0.59 1.17 1.23 -1.33 0.00 0.00 177.39 178.34 1joa h GLY 186 N 0.00 0.00 2.00 -0.72 0.00 -1.76 0.13 103.07 102.72 1joa h GLY 186 Ca -0.24 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1joa h GLY 186 CO 0.35 0.00 -0.14 -2.08 0.00 0.00 0.00 176.54 174.66 1joa h VAL 187 N 0.00 0.34 0.00 4.60 2.07 -1.91 -3.35 116.25 118.00 1joa h VAL 187 Ca 0.01 -0.97 -0.24 0.00 0.82 0.00 0.00 66.70 66.32 1joa h VAL 187 Cb 0.12 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 1joa h VAL 187 CO -0.00 0.14 -1.86 -1.22 0.02 0.00 0.00 177.57 174.65 1joa n TYR 188 N -3.26 0.00 -4.43 1.57 4.01 0.33 -4.81 117.16 110.57 1joa n TYR 188 Ca 0.01 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.53 1joa n TYR 188 Cb 0.41 -0.57 -0.10 0.00 -0.31 0.00 0.00 39.34 38.77 1joa n TYR 188 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1joa s LEU 189 N -6.29 2.58 0.58 7.72 1.02 -0.41 -4.87 118.68 118.99 1joa s LEU 189 Ca -0.21 -1.07 0.03 0.00 0.02 0.00 0.00 54.13 52.90 1joa s LEU 189 Cb 0.07 -0.86 0.06 0.00 0.02 0.00 0.00 46.19 45.47 1joa s LEU 189 CO 0.31 -0.12 0.80 -1.81 0.02 0.00 0.00 176.35 175.55 1joa s ASP 190 N -3.44 5.09 0.31 2.29 1.11 -1.26 -4.40 116.67 116.37 1joa s ASP 190 Ca 0.27 -0.25 0.02 0.00 0.18 0.00 0.00 52.55 52.78 1joa s ASP 190 Cb -0.01 -0.50 0.60 0.00 1.07 0.00 0.00 42.92 44.07 1joa s ASP 190 CO 0.12 -1.28 1.90 0.50 1.18 0.00 0.00 175.17 177.59 1joa h LYS 191 N 0.02 0.92 0.00 8.23 3.64 -1.97 -0.16 116.57 127.25 1joa h LYS 191 Ca -0.39 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1joa h LYS 191 Cb 1.29 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1joa h LYS 191 CO 0.47 0.61 0.00 -0.85 -2.27 0.00 0.00 179.45 177.41 1joa n GLU 192 N -4.51 0.03 -0.11 1.90 0.00 -1.26 -1.23 120.64 115.46 1joa n GLU 192 Ca 0.14 0.28 -0.18 0.00 0.00 0.00 0.00 57.16 57.41 1joa n GLU 192 Cb 0.26 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.10 1joa n GLU 192 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1joa n PHE 193 N -1.46 0.00 0.37 -1.84 3.01 -0.15 -4.50 117.46 112.89 1joa n PHE 193 Ca 0.03 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.63 1joa n PHE 193 Cb 0.12 -0.83 0.42 0.00 -0.01 0.00 0.00 39.48 39.18 1joa n PHE 193 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1joa h THR 194 N -0.25 0.00 -0.33 4.37 1.35 -0.73 -1.44 112.91 115.88 1joa h THR 194 Ca -0.51 -0.60 -0.04 0.00 -0.55 0.00 0.00 66.41 64.70 1joa h THR 194 Cb 1.68 1.55 -0.01 0.00 -1.73 0.00 0.00 68.15 69.64 1joa h THR 194 CO -0.16 0.00 0.03 0.44 -0.25 0.00 0.00 175.52 175.58 1joa h ASP 195 N 0.00 0.54 -0.40 5.36 3.32 -1.42 0.35 116.42 124.16 1joa h ASP 195 Ca 0.00 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 56.74 1joa h ASP 195 Cb 0.69 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 1joa h ASP 195 CO 0.00 0.68 0.14 0.58 -1.72 0.00 0.00 179.24 178.92 1joa h VAL 196 N 0.37 1.21 -0.10 -1.35 2.07 -1.63 -0.71 116.25 116.10 1joa h VAL 196 Ca 0.10 -0.67 -0.07 0.00 0.82 0.00 0.00 66.70 66.88 1joa h VAL 196 Cb 0.39 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1joa h VAL 196 CO 0.01 0.24 -0.24 -0.07 0.02 0.00 0.00 177.57 177.52 1joa h LEU 197 N 0.51 0.17 -0.73 2.57 3.38 -1.21 -0.26 115.31 119.74 1joa h LEU 197 Ca 0.13 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1joa h LEU 197 Cb 0.23 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1joa h LEU 197 CO -0.01 0.43 -0.09 0.74 0.09 0.00 0.00 178.44 179.60 1joa h THR 198 N 0.16 1.26 -0.29 0.22 2.02 0.11 0.43 112.91 116.82 1joa h THR 198 Ca 0.03 -1.19 -0.19 0.00 0.77 0.00 0.00 66.41 65.83 1joa h THR 198 Cb 0.53 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1joa h THR 198 CO 0.04 0.41 -0.54 -0.33 0.37 0.00 0.00 175.52 175.47 1joa h GLU 199 N 0.79 0.88 -0.49 6.66 5.08 -0.78 -0.13 114.58 126.59 1joa h GLU 199 Ca 0.13 -0.56 -0.03 0.00 -1.00 0.00 0.00 59.36 57.90 1joa h GLU 199 Cb 0.60 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1joa h GLU 199 CO 0.04 1.20 0.20 1.49 -1.00 0.00 0.00 179.01 180.93 1joa h GLU 200 N 0.67 0.73 -0.60 2.33 4.57 -0.73 0.46 114.58 122.01 1joa h GLU 200 Ca 0.01 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.06 1joa h GLU 200 Cb 1.16 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.60 1joa h GLU 200 CO 0.12 0.65 0.37 0.52 -1.18 0.00 0.00 179.01 179.49 1joa h MET 201 N 0.65 0.81 -0.45 1.92 2.86 -0.80 -2.36 114.93 117.56 1joa h MET 201 Ca 0.16 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.64 1joa h MET 201 Cb 0.19 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1joa h MET 201 CO -0.01 0.57 -0.09 0.93 1.06 0.00 0.00 176.91 179.37 1joa h GLU 202 N 0.82 0.80 0.00 1.72 5.08 -0.42 -0.11 114.58 122.46 1joa h GLU 202 Ca 0.22 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1joa h GLU 202 Cb -0.04 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1joa h GLU 202 CO -0.04 0.86 -0.08 0.00 -1.00 0.00 0.00 179.01 178.75 1joa h ALA 203 N 1.17 1.38 -0.74 3.43 0.00 -0.55 0.29 119.26 124.26 1joa h ALA 203 Ca 0.13 -0.07 -0.38 0.00 0.00 0.00 0.00 54.91 54.58 1joa h ALA 203 Cb 0.57 -0.01 -0.23 0.00 0.00 0.00 0.00 17.79 18.12 1joa h ALA 203 CO 0.03 0.09 0.49 0.09 0.00 0.00 0.00 179.25 179.96 1joa n ASN 204 N -3.74 3.58 -2.26 0.00 4.13 -0.08 -4.89 115.26 112.00 1joa n ASN 204 Ca -0.02 -3.19 -0.19 0.00 1.68 0.00 0.00 54.58 52.86 1joa n ASN 204 Cb 0.18 -0.75 -0.02 0.00 -1.54 0.00 0.00 39.78 37.64 1joa n ASN 204 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1joa n ASN 205 N -0.71 -5.46 -4.86 6.41 5.15 0.10 -4.90 115.26 111.00 1joa n ASN 205 Ca 0.44 0.10 -0.37 0.00 -0.60 0.00 0.00 54.58 54.15 1joa n ASN 205 Cb 1.36 -4.60 -0.06 0.00 -0.53 0.00 0.00 39.78 35.95 1joa n ASN 205 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1joa s ILE 206 N -2.90 5.19 -0.22 -1.44 1.01 -1.05 -4.26 121.20 117.51 1joa s ILE 206 Ca 0.00 0.57 -0.10 0.00 0.00 0.00 0.00 60.65 61.11 1joa s ILE 206 Cb 0.00 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.81 1joa s ILE 206 CO 0.00 0.54 0.15 -0.89 0.00 0.00 0.00 174.94 174.74 1joa s THR 207 N -1.13 5.38 -0.53 2.92 2.01 -0.61 -4.08 115.64 119.60 1joa s THR 207 Ca 0.23 0.19 -0.17 0.00 0.31 0.00 0.00 61.69 62.25 1joa s THR 207 Cb -0.15 -3.49 0.10 0.00 0.01 0.00 0.00 72.50 68.97 1joa s THR 207 CO 0.12 0.38 0.53 -0.63 -0.69 0.00 0.00 174.62 174.33 1joa s ILE 208 N 0.79 5.09 -1.11 1.82 -1.09 -1.26 0.16 121.20 125.61 1joa s ILE 208 Ca 0.08 -1.18 -0.08 0.00 -2.23 0.00 0.00 60.65 57.25 1joa s ILE 208 Cb -0.13 -4.32 0.29 0.00 -1.58 0.00 0.00 42.46 36.72 1joa s ILE 208 CO 0.02 -0.85 1.25 0.00 -1.23 0.00 0.00 174.94 174.13 1joa n ALA 209 N 5.58 4.54 -1.98 9.38 0.00 0.13 -4.95 120.51 133.21 1joa n ALA 209 Ca -0.12 -4.70 -0.25 0.00 0.00 0.00 0.00 53.44 48.37 1joa n ALA 209 Cb 0.42 -2.45 0.05 0.00 0.00 0.00 0.00 19.45 17.47 1joa n ALA 209 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1joa s THR 210 N -1.68 2.67 -0.65 0.00 -4.23 -1.26 -1.58 115.64 108.92 1joa s THR 210 Ca 0.31 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 1joa s THR 210 Cb -0.05 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.69 1joa s THR 210 CO -0.02 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 1joa n GLY 211 N -2.72 0.79 3.38 3.99 0.00 0.19 -4.85 105.19 105.98 1joa n GLY 211 Ca 0.07 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1joa n GLY 211 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1joa s GLU 212 N -2.10 2.62 -0.30 1.61 2.02 -0.54 -4.85 118.70 117.15 1joa s GLU 212 Ca 0.00 -0.78 -0.16 0.00 0.02 0.00 0.00 54.97 54.05 1joa s GLU 212 Cb 0.00 -2.32 -0.02 0.00 0.10 0.00 0.00 34.13 31.88 1joa s GLU 212 CO 0.00 0.48 0.43 0.99 0.02 0.00 0.00 175.26 177.18 1joa s THR 213 N -0.37 5.12 -0.04 3.63 2.01 -1.26 -1.75 115.64 122.97 1joa s THR 213 Ca 0.03 0.45 -0.30 0.00 0.31 0.00 0.00 61.69 62.18 1joa s THR 213 Cb -0.12 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 1joa s THR 213 CO 0.02 -0.00 1.36 -0.69 -0.69 0.00 0.00 174.62 174.62 1joa s VAL 214 N 2.18 3.90 -0.17 3.82 1.01 -1.26 -0.64 120.40 129.23 1joa s VAL 214 Ca 0.16 1.23 -0.18 0.00 0.00 0.00 0.00 61.98 63.19 1joa s VAL 214 Cb -0.16 -3.79 -0.22 0.00 0.00 0.00 0.00 36.38 32.21 1joa s VAL 214 CO 0.11 -0.02 0.34 -0.08 0.00 0.00 0.00 175.10 175.45 1joa h GLU 215 N 7.94 0.09 -1.73 2.72 4.57 -0.85 -3.47 114.58 123.84 1joa h GLU 215 Ca -0.36 -0.16 0.06 0.00 -1.18 0.00 0.00 59.36 57.72 1joa h GLU 215 Cb 1.16 0.06 -0.21 0.00 -0.16 0.00 0.00 28.75 29.60 1joa h GLU 215 CO 0.91 1.08 0.47 0.50 -1.18 0.00 0.00 179.01 180.79 1joa s ARG 216 N -2.41 0.71 -0.14 1.92 3.00 -0.85 -4.57 118.95 116.61 1joa s ARG 216 Ca -0.25 0.12 -0.06 0.00 -1.00 0.00 0.00 55.73 54.53 1joa s ARG 216 Cb 0.05 0.34 -0.04 0.00 0.00 0.00 0.00 34.95 35.30 1joa s ARG 216 CO 0.66 -0.23 0.05 0.71 0.00 0.00 0.00 175.30 176.49 1joa s TYR 217 N -1.36 3.28 0.13 5.12 2.02 -0.37 -1.56 117.35 124.61 1joa s TYR 217 Ca -0.03 0.17 0.08 0.00 -0.37 0.00 0.00 57.07 56.92 1joa s TYR 217 Cb -0.00 -1.97 -0.04 0.00 -0.40 0.00 0.00 41.96 39.54 1joa s TYR 217 CO 0.02 0.33 -0.14 -1.21 -1.57 0.00 0.00 175.55 172.99 1joa s GLU 218 N -0.21 1.95 0.00 -0.62 2.02 0.02 -4.10 118.70 117.76 1joa s GLU 218 Ca 0.07 -1.15 0.00 0.00 0.02 0.00 0.00 54.97 53.91 1joa s GLU 218 Cb -0.12 -2.18 0.00 0.00 0.10 0.00 0.00 34.13 31.93 1joa s GLU 218 CO 0.01 0.48 0.00 0.41 0.02 0.00 0.00 175.26 176.18 1joa n GLY 219 N 0.59 2.68 3.18 -1.39 0.00 -1.26 -0.17 105.19 108.81 1joa n GLY 219 Ca -0.14 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.51 1joa n GLY 219 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1joa s ASP 220 N 0.00 5.56 0.00 1.61 2.15 -1.26 -4.74 116.67 119.98 1joa s ASP 220 Ca 0.00 -2.01 0.00 0.00 0.43 0.00 0.00 52.55 50.97 1joa s ASP 220 Cb 0.00 -1.95 0.00 0.00 -0.30 0.00 0.00 42.92 40.67 1joa s ASP 220 CO 0.00 -0.63 0.00 0.61 -0.17 0.00 0.00 175.17 174.98 1joa n GLY 221 N 4.73 1.85 3.58 2.66 0.00 -1.26 -4.83 105.19 111.92 1joa n GLY 221 Ca -0.05 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 1joa n GLY 221 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1joa s ARG 222 N 0.00 2.13 0.33 1.61 1.70 -1.26 -1.72 118.95 121.74 1joa s ARG 222 Ca 0.00 -1.05 -0.29 0.00 -0.47 0.00 0.00 55.73 53.92 1joa s ARG 222 Cb 0.00 -2.30 -0.12 0.00 -0.57 0.00 0.00 34.95 31.97 1joa s ARG 222 CO 0.00 0.50 1.49 1.55 -1.08 0.00 0.00 175.30 177.76 1joa n VAL 223 N 0.59 1.52 0.00 4.99 3.14 0.01 -4.46 118.33 124.12 1joa n VAL 223 Ca -0.13 -0.38 0.00 0.00 -2.96 0.00 0.00 64.34 60.87 1joa n VAL 223 Cb 0.53 -1.85 0.00 0.00 -1.06 0.00 0.00 33.84 31.46 1joa n VAL 223 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1joa n GLN 224 N 1.27 2.44 -3.80 1.45 6.02 0.76 -4.52 117.38 121.01 1joa n GLN 224 Ca 0.06 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.92 1joa n GLN 224 Cb 0.37 -0.88 -0.14 0.00 1.02 0.00 0.00 30.24 30.61 1joa n GLN 224 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1joa s LYS 225 N -1.66 0.10 -0.22 -1.09 2.47 -0.01 -1.09 119.74 118.24 1joa s LYS 225 Ca 0.00 0.24 -0.05 0.00 -1.56 0.00 0.00 55.97 54.59 1joa s LYS 225 Cb 0.00 -0.06 -0.02 0.00 -1.46 0.00 0.00 37.83 36.29 1joa s LYS 225 CO 0.00 -0.08 0.01 0.08 0.16 0.00 0.00 175.35 175.51 1joa s VAL 226 N 0.56 3.86 -0.11 4.02 1.01 0.80 -0.80 120.40 129.75 1joa s VAL 226 Ca -0.04 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1joa s VAL 226 Cb -0.06 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 1joa s VAL 226 CO -0.02 0.40 -0.19 0.54 0.00 0.00 0.00 175.10 175.83 1joa s VAL 227 N 1.31 2.50 0.53 2.92 0.11 -0.60 0.42 120.40 127.59 1joa s VAL 227 Ca 0.04 -0.87 0.07 0.00 -2.93 0.00 0.00 61.98 58.29 1joa s VAL 227 Cb -0.15 -1.99 0.04 0.00 -1.53 0.00 0.00 36.38 32.75 1joa s VAL 227 CO 0.01 0.55 0.50 0.42 -3.33 0.00 0.00 175.10 173.24 1joa s THR 228 N 0.28 1.92 0.40 5.04 -4.23 0.96 -0.18 115.64 119.84 1joa s THR 228 Ca -0.14 -1.35 0.19 0.00 -1.18 0.00 0.00 61.69 59.21 1joa s THR 228 Cb -0.17 -2.27 0.20 0.00 1.34 0.00 0.00 72.50 71.60 1joa s THR 228 CO 0.07 0.00 1.97 -2.24 -0.54 0.00 0.00 174.62 173.88 1joa h ASP 229 N 0.65 0.00 -0.09 3.99 2.03 -1.23 -3.15 116.42 118.61 1joa h ASP 229 Ca -0.36 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 1joa h ASP 229 Cb 1.29 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.79 1joa h ASP 229 CO 0.53 0.22 0.00 0.29 -1.03 0.00 0.00 179.24 179.25 1joa n LYS 230 N -3.99 1.20 -3.61 4.15 5.02 -1.26 -5.03 118.16 114.64 1joa n LYS 230 Ca -0.02 -1.29 -0.03 0.00 -2.02 0.00 0.00 58.31 54.95 1joa n LYS 230 Cb 0.29 -1.14 -0.01 0.00 -0.02 0.00 0.00 35.03 34.15 1joa n LYS 230 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1joa s ASN 231 N -0.74 -0.16 -0.04 4.39 3.84 -1.19 -5.15 114.94 115.89 1joa s ASN 231 Ca 0.10 -0.09 0.07 0.00 0.21 0.00 0.00 52.86 53.14 1joa s ASN 231 Cb 0.06 0.23 -0.01 0.00 -0.55 0.00 0.00 41.25 40.98 1joa s ASN 231 CO 0.09 -0.40 -0.24 0.00 -2.79 0.00 0.00 177.10 173.75 1joa s ALA 232 N -2.65 2.05 -0.06 1.71 0.00 -1.26 -0.03 121.76 121.53 1joa s ALA 232 Ca 0.10 -1.02 0.04 0.00 0.00 0.00 0.00 51.96 51.09 1joa s ALA 232 Cb 0.01 -0.59 -0.00 0.00 0.00 0.00 0.00 23.12 22.53 1joa s ALA 232 CO -0.04 0.44 -0.19 0.71 0.00 0.00 0.00 175.76 176.68 1joa s TYR 233 N -0.32 1.94 0.34 0.00 2.02 0.17 -4.97 117.35 116.53 1joa s TYR 233 Ca 0.02 -0.63 -0.26 0.00 -0.37 0.00 0.00 57.07 55.82 1joa s TYR 233 Cb -0.12 -1.31 -0.09 0.00 -0.40 0.00 0.00 41.96 40.04 1joa s TYR 233 CO 0.02 -0.23 1.04 -0.51 -1.57 0.00 0.00 175.55 174.29 1joa s ASP 234 N 0.14 7.08 -0.19 2.29 1.01 -1.26 -0.14 116.67 125.60 1joa s ASP 234 Ca -0.08 2.07 -0.06 0.00 0.71 0.00 0.00 52.55 55.19 1joa s ASP 234 Cb -0.14 -2.60 0.09 0.00 1.01 0.00 0.00 42.92 41.28 1joa s ASP 234 CO 0.04 -0.26 0.39 0.00 0.21 0.00 0.00 175.17 175.55 1joa s ALA 235 N -1.46 -1.06 -0.36 5.23 0.00 -0.25 -4.49 121.76 119.38 1joa s ALA 235 Ca 0.51 1.41 0.22 0.00 0.00 0.00 0.00 51.96 54.10 1joa s ALA 235 Cb -0.25 -1.28 -0.10 0.00 0.00 0.00 0.00 23.12 21.49 1joa s ALA 235 CO 0.31 -0.74 0.85 -0.25 0.00 0.00 0.00 175.76 175.93 1joa n ASP 236 N 5.38 0.50 -3.77 0.00 8.00 -0.04 -3.24 116.55 123.38 1joa n ASP 236 Ca -0.08 -0.06 -0.13 0.00 0.71 0.00 0.00 54.79 55.23 1joa n ASP 236 Cb 0.49 1.11 -0.10 0.00 -0.02 0.00 0.00 41.12 42.60 1joa n ASP 236 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1joa s LEU 237 N -4.40 0.88 -0.04 0.64 0.20 -1.20 -4.88 118.68 109.89 1joa s LEU 237 Ca -0.01 0.44 0.07 0.00 0.69 0.00 0.00 54.13 55.32 1joa s LEU 237 Cb 0.13 1.08 -0.01 0.00 -0.43 0.00 0.00 46.19 46.95 1joa s LEU 237 CO 0.84 -0.20 -0.24 -0.69 -0.29 0.00 0.00 176.35 175.76 1joa s VAL 238 N -0.28 1.96 -0.21 1.68 1.01 -0.67 -1.58 120.40 122.32 1joa s VAL 238 Ca -0.04 -1.04 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 1joa s VAL 238 Cb -0.03 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.71 1joa s VAL 238 CO 0.01 0.55 -0.11 -0.69 0.00 0.00 0.00 175.10 174.87 1joa s VAL 239 N -0.35 2.80 -0.40 2.92 1.01 -0.72 -0.86 120.40 124.81 1joa s VAL 239 Ca 0.03 -0.71 -0.16 0.00 0.00 0.00 0.00 61.98 61.14 1joa s VAL 239 Cb -0.12 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 34.02 1joa s VAL 239 CO 0.01 0.46 0.37 -0.69 0.00 0.00 0.00 175.10 175.25 1joa s VAL 240 N 1.39 5.17 -0.47 2.92 1.01 0.17 -0.87 120.40 129.72 1joa s VAL 240 Ca 0.05 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.76 1joa s VAL 240 Cb -0.14 -3.94 0.29 0.00 0.00 0.00 0.00 36.38 32.58 1joa s VAL 240 CO -0.07 -0.30 0.69 0.00 0.00 0.00 0.00 175.10 175.41 1joa n ALA 241 N 5.40 3.02 -0.10 5.51 0.00 -0.04 -4.22 120.51 130.08 1joa n ALA 241 Ca -0.09 -3.90 -0.12 0.00 0.00 0.00 0.00 53.44 49.33 1joa n ALA 241 Cb 0.48 -0.85 -0.14 0.00 0.00 0.00 0.00 19.45 18.94 1joa n ALA 241 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1joa n VAL 242 N 0.76 1.34 -4.01 0.00 0.31 -1.22 -4.09 118.33 111.43 1joa n VAL 242 Ca 0.25 -0.73 0.01 0.00 -0.01 0.00 0.00 64.34 63.87 1joa n VAL 242 Cb 0.52 -0.76 0.00 0.00 -0.91 0.00 0.00 33.84 32.69 1joa n VAL 242 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1joa n GLY 243 N 1.98 0.32 2.91 2.92 0.00 -1.26 -4.97 105.19 107.08 1joa n GLY 243 Ca -0.35 -0.85 -0.23 0.00 0.00 0.00 0.00 46.02 44.59 1joa n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1joa s VAL 244 N -2.00 0.74 0.14 1.61 0.11 -1.26 -0.51 120.40 119.23 1joa s VAL 244 Ca 0.08 -0.20 -0.20 0.00 -2.93 0.00 0.00 61.98 58.73 1joa s VAL 244 Cb -0.00 -0.76 -0.07 0.00 -1.53 0.00 0.00 36.38 34.02 1joa s VAL 244 CO -0.01 0.29 0.65 -0.13 -3.33 0.00 0.00 175.10 172.57 1joa s ARG 245 N 1.18 4.26 0.37 1.54 0.52 0.24 -4.79 118.95 122.28 1joa s ARG 245 Ca -0.06 0.83 -0.28 0.00 -0.52 0.00 0.00 55.73 55.69 1joa s ARG 245 Cb -0.14 -3.11 -0.11 0.00 0.52 0.00 0.00 34.95 32.11 1joa s ARG 245 CO -0.02 0.54 1.45 -2.14 0.02 0.00 0.00 175.30 175.16 1joa s PRO 246 N -1.45 4.16 -1.33 3.54 0.02 -1.26 -0.62 135.00 138.05 1joa s PRO 246 Ca 0.35 2.51 -0.07 0.00 0.02 0.00 0.00 61.00 63.81 1joa s PRO 246 Cb -0.19 -2.99 0.12 0.00 0.02 0.00 0.00 34.50 31.46 1joa s PRO 246 CO 0.21 -0.47 2.26 -1.71 -0.33 0.00 0.00 177.00 176.96 1joa n ASN 247 N 0.54 7.08 0.00 2.53 4.05 0.11 -4.47 115.26 125.11 1joa n ASN 247 Ca 0.01 -3.09 0.00 0.00 0.45 0.00 0.00 54.58 51.95 1joa n ASN 247 Cb 0.40 -1.42 0.00 0.00 1.23 0.00 0.00 39.78 39.99 1joa n ASN 247 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 1joa n THR 248 N 2.42 0.00 -0.18 -0.44 -2.24 -1.26 -4.78 114.28 107.80 1joa n THR 248 Ca 0.56 -0.41 0.29 0.00 -2.27 0.00 0.00 64.05 62.22 1joa n THR 248 Cb 0.28 1.16 0.72 0.00 -2.10 0.00 0.00 70.33 70.39 1joa n THR 248 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1joa h ALA 249 N 0.00 2.85 0.00 6.98 0.00 -1.92 0.25 119.26 127.43 1joa h ALA 249 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1joa h ALA 249 Cb 0.08 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1joa h ALA 249 CO 0.00 -1.10 0.00 -2.67 0.00 0.00 0.00 179.25 175.48 1joa n TRP 250 N -4.27 0.00 0.67 0.00 4.27 -1.26 -1.41 117.44 115.45 1joa n TRP 250 Ca 0.19 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.88 1joa n TRP 250 Cb 0.96 -0.39 0.06 0.00 -1.36 0.00 0.00 31.31 30.58 1joa n TRP 250 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 1joa n LEU 251 N -1.39 2.21 -4.69 5.67 4.77 0.89 -4.83 117.00 119.64 1joa n LEU 251 Ca 0.05 -0.96 -0.42 0.00 -0.03 0.00 0.00 56.01 54.64 1joa n LEU 251 Cb 0.12 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 1joa n LEU 251 CO 0.11 0.40 1.31 -0.54 -1.33 0.00 0.00 177.39 177.34 1joa s LYS 252 N -1.42 4.20 0.00 3.23 1.02 -0.50 -1.39 119.74 124.88 1joa s LYS 252 Ca 0.18 2.31 0.00 0.00 0.02 0.00 0.00 55.97 58.48 1joa s LYS 252 Cb 0.13 -3.59 0.00 0.00 -0.52 0.00 0.00 37.83 33.85 1joa s LYS 252 CO 0.23 -0.72 0.00 0.41 -0.92 0.00 0.00 175.35 174.35 1joa n GLY 253 N 3.97 3.08 0.10 -3.33 0.00 -1.26 -4.83 105.19 102.92 1joa n GLY 253 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 1joa n GLY 253 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1joa n THR 254 N -1.12 1.50 -4.46 2.61 -1.04 -0.48 -4.99 114.28 106.30 1joa n THR 254 Ca 0.00 -0.04 -0.24 0.00 -2.04 0.00 0.00 64.05 61.72 1joa n THR 254 Cb 0.00 -2.11 -0.10 0.00 -1.82 0.00 0.00 70.33 66.30 1joa n THR 254 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1joa s LEU 255 N -7.86 2.71 -0.26 -4.42 1.43 -0.66 -4.86 118.68 104.75 1joa s LEU 255 Ca -0.28 -1.04 -0.28 0.00 -1.03 0.00 0.00 54.13 51.49 1joa s LEU 255 Cb 0.07 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 45.16 1joa s LEU 255 CO 0.47 -0.05 1.02 -1.61 0.23 0.00 0.00 176.35 176.41 1joa s GLU 256 N -3.57 4.18 0.01 1.70 2.02 -1.26 -4.62 118.70 117.16 1joa s GLU 256 Ca 0.31 1.20 0.01 0.00 0.02 0.00 0.00 54.97 56.51 1joa s GLU 256 Cb -0.03 -3.68 -0.04 0.00 0.10 0.00 0.00 34.13 30.49 1joa s GLU 256 CO 0.16 -0.71 0.04 -0.51 0.02 0.00 0.00 175.26 174.26 1joa s LEU 257 N 3.30 3.68 0.76 1.80 1.43 -1.26 -0.75 118.68 127.65 1joa s LEU 257 Ca 0.43 0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.45 1joa s LEU 257 Cb -0.14 -2.18 0.05 0.00 0.03 0.00 0.00 46.19 43.95 1joa s LEU 257 CO 0.09 0.26 1.10 -1.00 0.23 0.00 0.00 176.35 177.03 1joa s HIS 258 N -1.18 2.55 -1.04 0.29 3.76 0.19 -4.87 115.29 114.99 1joa s HIS 258 Ca 0.22 1.56 0.00 0.00 -0.15 0.00 0.00 55.06 56.70 1joa s HIS 258 Cb -0.12 -3.08 0.00 0.00 1.11 0.00 0.00 32.58 30.50 1joa s HIS 258 CO 0.14 -1.82 0.65 -0.35 -0.85 0.00 0.00 174.74 172.51 1joa n PRO 259 N -3.38 0.00 -0.27 8.40 -0.04 -1.26 -0.97 135.00 137.48 1joa n PRO 259 Ca 0.09 0.21 0.08 0.00 -0.04 0.00 0.00 63.50 63.85 1joa n PRO 259 Cb 0.53 -1.58 0.18 0.00 -0.04 0.00 0.00 33.50 32.59 1joa n PRO 259 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1joa n ASN 260 N -1.15 2.62 0.00 3.54 6.94 -1.26 -4.96 115.26 120.99 1joa n ASN 260 Ca 0.00 -3.22 0.00 0.00 -0.02 0.00 0.00 54.58 51.34 1joa n ASN 260 Cb 0.08 -0.48 0.00 0.00 -2.36 0.00 0.00 39.78 37.02 1joa n ASN 260 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1joa n GLY 261 N -1.18 3.09 3.68 4.83 0.00 -0.14 -4.63 105.19 110.85 1joa n GLY 261 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 1joa n GLY 261 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1joa n LEU 262 N 0.00 3.28 -4.73 0.99 4.32 -1.26 -4.58 117.00 115.03 1joa n LEU 262 Ca 0.00 1.16 -0.41 0.00 -0.02 0.00 0.00 56.01 56.73 1joa n LEU 262 Cb 0.00 -1.45 -0.04 0.00 -1.62 0.00 0.00 43.42 40.31 1joa n LEU 262 CO 0.00 -0.45 0.78 -0.63 -1.22 0.00 0.00 177.39 175.87 1joa s ILE 263 N -0.29 4.11 0.11 -0.08 1.01 0.26 -0.64 121.20 125.69 1joa s ILE 263 Ca 0.65 1.71 -0.30 0.00 0.00 0.00 0.00 60.65 62.71 1joa s ILE 263 Cb -0.62 -4.09 -0.07 0.00 0.01 0.00 0.00 42.46 37.69 1joa s ILE 263 CO 0.52 0.24 1.23 -0.54 0.00 0.00 0.00 174.94 176.39 1joa s LYS 264 N 0.09 4.44 0.07 2.79 1.02 0.07 -4.34 119.74 123.89 1joa s LYS 264 Ca 0.51 1.85 -0.06 0.00 0.02 0.00 0.00 55.97 58.29 1joa s LYS 264 Cb -0.27 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 33.72 1joa s LYS 264 CO 0.32 -0.22 0.11 0.95 -0.92 0.00 0.00 175.35 175.59 1joa s THR 265 N 0.68 0.17 0.20 2.17 -4.23 -1.26 -4.10 115.64 109.27 1joa s THR 265 Ca 0.57 -1.39 0.03 0.00 -1.18 0.00 0.00 61.69 59.72 1joa s THR 265 Cb -0.32 -1.39 0.03 0.00 1.34 0.00 0.00 72.50 72.16 1joa s THR 265 CO 0.32 -0.77 0.23 -0.90 -0.54 0.00 0.00 174.62 172.96 1joa n ASP 266 N 0.01 1.07 0.17 3.99 5.68 -0.83 -4.93 116.55 121.70 1joa n ASP 266 Ca -0.15 -1.59 0.12 0.00 -0.50 0.00 0.00 54.79 52.67 1joa n ASP 266 Cb 0.62 -0.10 0.61 0.00 -1.14 0.00 0.00 41.12 41.11 1joa n ASP 266 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1joa h GLU 267 N 0.00 0.00 -0.36 0.11 3.07 -1.97 0.16 114.58 115.59 1joa h GLU 267 Ca -0.11 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.62 1joa h GLU 267 Cb 0.44 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.27 1joa h GLU 267 CO 0.16 0.00 0.00 0.66 -1.40 0.00 0.00 179.01 178.43 1joa n TYR 268 N -2.30 1.16 -0.90 4.33 4.01 -1.26 -0.89 117.16 121.31 1joa n TYR 268 Ca -0.01 -1.34 -0.01 0.00 -0.16 0.00 0.00 57.90 56.38 1joa n TYR 268 Cb 0.07 -0.45 -0.00 0.00 -0.31 0.00 0.00 39.34 38.64 1joa n TYR 268 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 1joa n MET 269 N -0.90 -1.97 -2.46 -0.72 2.81 0.57 -4.74 117.12 109.72 1joa n MET 269 Ca 0.30 0.47 -0.40 0.00 -1.81 0.00 0.00 57.70 56.26 1joa n MET 269 Cb 1.02 -4.71 -0.04 0.00 -0.71 0.00 0.00 33.22 28.78 1joa n MET 269 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1joa s ARG 270 N -1.83 4.62 0.41 0.03 0.52 -1.26 -1.93 118.95 119.50 1joa s ARG 270 Ca 0.00 1.82 -0.04 0.00 -0.52 0.00 0.00 55.73 56.99 1joa s ARG 270 Cb 0.00 -3.20 0.09 0.00 0.52 0.00 0.00 34.95 32.36 1joa s ARG 270 CO 0.00 0.16 0.55 0.25 0.02 0.00 0.00 175.30 176.29 1joa n THR 271 N 1.37 0.00 0.44 0.02 -2.24 -0.58 -1.97 114.28 111.31 1joa n THR 271 Ca -0.00 -0.64 0.08 0.00 -2.27 0.00 0.00 64.05 61.22 1joa n THR 271 Cb 0.45 -1.41 0.36 0.00 -2.10 0.00 0.00 70.33 67.62 1joa n THR 271 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1joa n SER 272 N -3.15 0.21 -4.65 3.42 3.41 -1.26 -4.59 113.62 107.01 1joa n SER 272 Ca 0.08 0.56 -0.35 0.00 -0.26 0.00 0.00 58.87 58.90 1joa n SER 272 Cb 0.28 -0.60 -0.09 0.00 -0.26 0.00 0.00 64.21 63.54 1joa n SER 272 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1joa s GLU 273 N -3.11 4.02 -0.29 4.33 0.41 -1.26 -4.99 118.70 117.81 1joa s GLU 273 Ca 0.06 -0.31 -0.41 0.00 -0.41 0.00 0.00 54.97 53.89 1joa s GLU 273 Cb 0.09 -3.28 -0.17 0.00 -1.78 0.00 0.00 34.13 28.99 1joa s GLU 273 CO 0.29 0.26 1.69 -2.30 -0.49 0.00 0.00 175.26 174.71 1joa n PRO 274 N 3.59 0.94 -1.17 0.39 -0.02 -1.26 -1.76 135.00 135.70 1joa n PRO 274 Ca -0.16 0.34 -0.06 0.00 -2.02 0.00 0.00 63.50 61.60 1joa n PRO 274 Cb 0.52 -1.99 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 1joa n PRO 274 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1joa n ASP 275 N 4.93 -4.14 -4.36 2.55 8.00 -1.26 -4.92 116.55 117.34 1joa n ASP 275 Ca 0.27 0.15 -0.33 0.00 0.71 0.00 0.00 54.79 55.59 1joa n ASP 275 Cb 0.10 -2.17 -0.15 0.00 -0.02 0.00 0.00 41.12 38.88 1joa n ASP 275 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1joa s VAL 276 N -2.08 2.80 0.12 2.53 1.01 -0.72 -0.25 120.40 123.81 1joa s VAL 276 Ca 0.00 -0.77 0.09 0.00 0.00 0.00 0.00 61.98 61.30 1joa s VAL 276 Cb 0.00 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1joa s VAL 276 CO 0.00 0.55 -0.22 -0.36 0.00 0.00 0.00 175.10 175.07 1joa s PHE 277 N 0.02 1.96 0.02 5.22 0.40 0.05 -1.53 117.98 124.12 1joa s PHE 277 Ca -0.06 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 1joa s PHE 277 Cb -0.15 -1.05 -0.02 0.00 0.51 0.00 0.00 43.02 42.31 1joa s PHE 277 CO 0.05 0.27 -0.04 0.00 0.70 0.00 0.00 175.22 176.20 1joa s ALA 278 N -1.27 0.19 0.13 5.36 0.00 -0.81 -0.14 121.76 125.21 1joa s ALA 278 Ca 0.10 -0.56 -0.13 0.00 0.00 0.00 0.00 51.96 51.37 1joa s ALA 278 Cb -0.09 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.16 1joa s ALA 278 CO 0.05 -0.12 0.32 0.08 0.00 0.00 0.00 175.76 176.10 1joa s VAL 279 N -1.31 0.09 0.00 0.00 1.01 -0.46 -4.80 120.40 114.93 1joa s VAL 279 Ca -0.13 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 60.92 1joa s VAL 279 Cb -0.09 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.91 1joa s VAL 279 CO -0.01 -0.41 0.00 0.61 0.00 0.00 0.00 175.10 175.30 1joa n GLY 280 N -0.18 -0.75 0.32 4.51 0.00 -1.26 -4.30 105.19 103.51 1joa n GLY 280 Ca -0.14 -1.54 0.21 0.00 0.00 0.00 0.00 46.02 44.55 1joa n GLY 280 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1joa h ASP 281 N 2.57 0.00 -0.32 1.61 5.19 -1.91 -1.57 116.42 121.99 1joa h ASP 281 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1joa h ASP 281 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1joa h ASP 281 CO 0.00 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.12 1joa n ALA 282 N -2.07 2.90 -2.33 3.45 0.00 -1.26 -4.89 120.51 116.31 1joa n ALA 282 Ca -0.02 -0.83 -0.17 0.00 0.00 0.00 0.00 53.44 52.42 1joa n ALA 282 Cb 0.14 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.46 1joa n ALA 282 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1joa s THR 283 N -1.73 0.62 0.47 0.00 -4.23 -0.59 -0.57 115.64 109.60 1joa s THR 283 Ca 0.26 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.75 1joa s THR 283 Cb 0.18 -2.63 -0.01 0.00 1.34 0.00 0.00 72.50 71.37 1joa s THR 283 CO 0.11 -0.02 0.73 -0.76 -0.54 0.00 0.00 174.62 174.15 1joa s LEU 284 N -3.32 3.60 0.01 4.79 1.43 -1.26 -4.60 118.68 119.33 1joa s LEU 284 Ca 0.37 0.56 -0.05 0.00 -1.03 0.00 0.00 54.13 53.98 1joa s LEU 284 Cb 0.08 -3.45 -0.00 0.00 0.03 0.00 0.00 46.19 42.85 1joa s LEU 284 CO 0.13 -0.69 0.09 -0.51 0.23 0.00 0.00 176.35 175.60 1joa s ILE 285 N -2.66 0.09 -0.13 -0.59 2.07 0.07 -4.93 121.20 115.12 1joa s ILE 285 Ca 0.48 -0.74 -0.29 0.00 -1.41 0.00 0.00 60.65 58.69 1joa s ILE 285 Cb -0.10 -0.38 -0.05 0.00 0.13 0.00 0.00 42.46 42.06 1joa s ILE 285 CO 0.41 -0.41 1.73 -0.75 -1.91 0.00 0.00 174.94 174.01 1joa s LYS 286 N -1.38 3.91 -0.56 3.50 2.20 -1.26 -1.14 119.74 125.01 1joa s LYS 286 Ca -0.15 1.99 -0.15 0.00 -0.36 0.00 0.00 55.97 57.31 1joa s LYS 286 Cb -0.08 -4.07 0.14 0.00 -1.51 0.00 0.00 37.83 32.31 1joa s LYS 286 CO 0.01 -1.18 0.50 -0.47 -0.36 0.00 0.00 175.35 173.85 1joa s TYR 287 N 5.01 3.32 0.25 4.03 5.04 0.12 -0.56 117.35 134.56 1joa s TYR 287 Ca 0.77 -1.45 0.26 0.00 -2.44 0.00 0.00 57.07 54.21 1joa s TYR 287 Cb -0.31 -3.75 1.18 0.00 0.35 0.00 0.00 41.96 39.43 1joa s TYR 287 CO 0.31 -1.01 1.94 -0.91 -1.34 0.00 0.00 175.55 174.54 1joa h ASN 288 N 8.71 0.00 -0.93 4.32 -0.26 -1.51 -2.13 115.58 123.79 1joa h ASN 288 Ca -0.25 0.00 0.20 0.00 -0.56 0.00 0.00 56.30 55.69 1joa h ASN 288 Cb 1.09 0.00 -0.08 0.00 -1.06 0.00 0.00 38.32 38.27 1joa h ASN 288 CO 0.98 0.17 0.60 -0.65 -1.06 0.00 0.00 177.43 177.48 1joa h PRO 289 N 0.00 0.49 0.00 0.81 0.11 -1.89 -2.94 132.00 128.58 1joa h PRO 289 Ca -0.00 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.01 1joa h PRO 289 Cb 0.56 -0.11 -0.16 0.00 0.11 0.00 0.00 31.00 31.41 1joa h PRO 289 CO 0.02 0.32 -0.65 0.00 -0.21 0.00 0.00 178.00 177.49 1joa n ALA 290 N -2.47 2.62 -3.95 -0.75 0.00 -1.15 -4.90 120.51 109.91 1joa n ALA 290 Ca 0.20 -2.37 -0.38 0.00 0.00 0.00 0.00 53.44 50.89 1joa n ALA 290 Cb 0.66 -0.54 0.02 0.00 0.00 0.00 0.00 19.45 19.58 1joa n ALA 290 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1joa n ASP 291 N -0.29 -4.51 -1.15 0.00 8.00 -0.85 -4.92 116.55 112.83 1joa n ASP 291 Ca 0.10 -1.16 -0.01 0.00 0.71 0.00 0.00 54.79 54.43 1joa n ASP 291 Cb 0.87 -1.82 -0.00 0.00 -0.02 0.00 0.00 41.12 40.14 1joa n ASP 291 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1joa n THR 292 N -4.16 0.00 -4.91 -3.53 5.66 -0.91 -4.99 114.28 101.44 1joa n THR 292 Ca -0.18 -0.13 -0.26 0.00 -3.05 0.00 0.00 64.05 60.43 1joa n THR 292 Cb 0.61 0.08 -0.16 0.00 -1.55 0.00 0.00 70.33 69.31 1joa n THR 292 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1joa s GLU 293 N -2.06 1.65 0.07 1.09 2.02 -1.26 0.13 118.70 120.34 1joa s GLU 293 Ca 0.02 -0.67 -0.08 0.00 0.02 0.00 0.00 54.97 54.27 1joa s GLU 293 Cb -0.00 -1.53 -0.01 0.00 0.10 0.00 0.00 34.13 32.69 1joa s GLU 293 CO 0.02 0.36 0.15 0.08 0.02 0.00 0.00 175.26 175.89 1joa s VAL 294 N -0.29 0.15 -0.28 2.63 1.01 -0.29 -4.88 120.40 118.45 1joa s VAL 294 Ca 0.04 -1.21 -0.18 0.00 0.00 0.00 0.00 61.98 60.62 1joa s VAL 294 Cb -0.09 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 1joa s VAL 294 CO 0.00 -0.67 0.54 0.21 0.00 0.00 0.00 175.10 175.19 1joa s ASN 295 N -2.68 6.44 -0.34 3.32 3.84 -1.26 -0.75 114.94 123.51 1joa s ASN 295 Ca 0.03 0.47 0.02 0.00 0.21 0.00 0.00 52.86 53.59 1joa s ASN 295 Cb 0.04 -2.29 0.10 0.00 -0.55 0.00 0.00 41.25 38.55 1joa s ASN 295 CO -0.09 -0.34 0.08 -0.63 -2.79 0.00 0.00 177.10 173.33 1joa s ILE 296 N 2.38 1.80 -1.24 -5.21 1.01 -1.26 -4.99 121.20 113.69 1joa s ILE 296 Ca 0.22 -2.10 -0.18 0.00 0.00 0.00 0.00 60.65 58.59 1joa s ILE 296 Cb -0.15 -2.34 0.08 0.00 0.01 0.00 0.00 42.46 40.06 1joa s ILE 296 CO 0.10 -0.65 1.65 0.00 0.00 0.00 0.00 174.94 176.04 1joa s ALA 297 N 1.05 3.30 0.04 9.38 0.00 -1.26 -4.85 121.76 129.42 1joa s ALA 297 Ca 0.11 -2.86 0.05 0.00 0.00 0.00 0.00 51.96 49.25 1joa s ALA 297 Cb -0.19 -4.56 -0.02 0.00 0.00 0.00 0.00 23.12 18.34 1joa s ALA 297 CO -0.13 -3.29 -0.13 -0.51 0.00 0.00 0.00 175.76 171.70 1joa s LEU 298 N 4.03 2.19 0.17 0.00 1.43 -1.26 -5.05 118.68 120.19 1joa s LEU 298 Ca 0.51 -0.48 -0.20 0.00 -1.03 0.00 0.00 54.13 52.93 1joa s LEU 298 Cb 0.02 -0.53 0.08 0.00 0.03 0.00 0.00 46.19 45.80 1joa s LEU 298 CO 0.04 -0.01 1.63 0.00 0.23 0.00 0.00 176.35 178.24 1joa h ALA 299 N 4.80 0.01 -0.90 4.21 0.00 -1.99 -2.32 119.26 123.07 1joa h ALA 299 Ca -0.38 0.13 0.11 0.00 0.00 0.00 0.00 54.91 54.77 1joa h ALA 299 Cb 1.18 0.52 -0.07 0.00 0.00 0.00 0.00 17.79 19.43 1joa h ALA 299 CO 0.43 -0.61 0.58 1.79 0.00 0.00 0.00 179.25 181.44 1joa h THR 300 N -0.17 0.92 0.05 0.00 1.35 -1.97 -1.25 112.91 111.85 1joa h THR 300 Ca 0.18 -0.29 -0.00 0.00 -0.55 0.00 0.00 66.41 65.75 1joa h THR 300 Cb 0.46 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 66.89 1joa h THR 300 CO -0.48 0.15 -0.02 0.78 -0.25 0.00 0.00 175.52 175.70 1joa h ASN 301 N 0.84 -0.06 -0.14 5.36 2.35 -1.76 -2.48 115.58 119.69 1joa h ASN 301 Ca 0.43 -0.36 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 1joa h ASN 301 Cb 0.50 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 1joa h ASN 301 CO -0.19 0.33 -0.04 0.00 -1.65 0.00 0.00 177.43 175.88 1joa h ALA 302 N 0.47 1.44 -0.18 -0.83 0.00 -0.95 -1.34 119.26 117.87 1joa h ALA 302 Ca -0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1joa h ALA 302 Cb 0.41 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1joa h ALA 302 CO 0.01 0.39 -0.07 0.00 0.00 0.00 0.00 179.25 179.58 1joa h ARG 303 N 0.40 0.36 -0.13 0.00 3.08 -1.24 0.21 114.38 117.06 1joa h ARG 303 Ca 0.09 -0.15 -0.10 0.00 0.07 0.00 0.00 59.98 59.88 1joa h ARG 303 Cb 0.33 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1joa h ARG 303 CO 0.01 0.66 -0.36 0.87 -1.07 0.00 0.00 179.97 180.07 1joa h LYS 304 N 0.05 0.28 -0.32 0.04 1.57 -1.05 -1.87 116.57 115.26 1joa h LYS 304 Ca 0.04 -0.12 -0.17 0.00 -1.87 0.00 0.00 60.65 58.53 1joa h LYS 304 Cb 0.54 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 1joa h LYS 304 CO 0.02 0.61 -0.47 1.96 -0.57 0.00 0.00 179.45 181.01 1joa h GLN 305 N 0.24 0.87 -0.69 3.15 4.20 -1.10 -0.54 115.11 121.25 1joa h GLN 305 Ca 0.03 -0.50 0.00 0.00 0.06 0.00 0.00 58.65 58.24 1joa h GLN 305 Cb 0.76 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.54 1joa h GLN 305 CO 0.06 1.14 0.44 0.78 -0.67 0.00 0.00 178.83 180.58 1joa h GLY 306 N 0.78 0.98 0.91 3.46 0.00 -0.02 0.73 103.07 109.91 1joa h GLY 306 Ca 0.04 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 1joa h GLY 306 CO 0.11 0.37 0.07 3.21 0.00 0.00 0.00 176.54 180.30 1joa h ARG 307 N 0.93 0.56 -0.28 4.80 3.08 -1.19 -3.16 114.38 119.13 1joa h ARG 307 Ca 0.25 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 1joa h ARG 307 Cb -0.08 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 1joa h ARG 307 CO -0.05 0.63 -0.14 0.74 -1.07 0.00 0.00 179.97 180.07 1joa h PHE 308 N 0.40 0.51 -0.86 3.04 -1.00 -0.35 -2.30 116.94 116.39 1joa h PHE 308 Ca 0.11 -0.08 0.15 0.00 2.81 0.00 0.00 57.97 60.96 1joa h PHE 308 Cb 0.33 -0.14 -0.10 0.00 3.61 0.00 0.00 35.95 39.65 1joa h PHE 308 CO 0.02 0.60 0.44 0.00 -1.61 0.00 0.00 178.31 177.77 1joa h ALA 309 N 1.41 1.30 -0.45 2.45 0.00 -0.84 0.14 119.26 123.28 1joa h ALA 309 Ca 0.08 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1joa h ALA 309 Cb 0.51 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1joa h ALA 309 CO 0.03 -0.10 -0.13 0.28 0.00 0.00 0.00 179.25 179.33 1joa h VAL 310 N 0.62 1.26 0.00 0.00 2.07 -1.44 -2.86 116.25 115.90 1joa h VAL 310 Ca 0.47 -1.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 1joa h VAL 310 Cb 0.68 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1joa h VAL 310 CO -0.37 0.42 -0.16 0.11 0.02 0.00 0.00 177.57 177.59 1joa h LYS 311 N 0.76 0.00 -0.55 1.57 1.57 -0.43 -2.43 116.57 117.05 1joa h LYS 311 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1joa h LYS 311 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1joa h LYS 311 CO 0.04 0.16 0.00 0.09 -0.57 0.00 0.00 179.45 179.18 1joa n ASN 312 N -3.63 4.14 -0.06 0.86 4.13 -0.90 -4.70 115.26 115.10 1joa n ASN 312 Ca -0.01 -2.34 -0.09 0.00 1.68 0.00 0.00 54.58 53.82 1joa n ASN 312 Cb 0.29 -0.48 -0.02 0.00 -1.54 0.00 0.00 39.78 38.02 1joa n ASN 312 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1joa h LEU 313 N 3.42 -0.96 0.00 3.41 5.85 -1.28 -3.24 115.31 122.51 1joa h LEU 313 Ca 0.00 0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 1joa h LEU 313 Cb 1.22 0.44 -0.01 0.00 0.37 0.00 0.00 40.66 42.68 1joa h LEU 313 CO 0.14 -0.32 -0.31 -0.33 -0.34 0.00 0.00 178.44 177.28 1joa h GLU 314 N -0.30 0.00 -3.47 1.25 3.07 -1.84 -3.48 114.58 109.81 1joa h GLU 314 Ca 0.14 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.83 1joa h GLU 314 Cb 0.52 0.00 -0.24 0.00 -0.84 0.00 0.00 28.75 28.19 1joa h GLU 314 CO -0.43 0.88 -0.54 -1.83 -1.40 0.00 0.00 179.01 175.69 1joa s GLU 315 N -2.19 0.31 -1.04 2.33 -1.05 -1.22 -5.08 118.70 110.75 1joa s GLU 315 Ca -0.19 -0.10 -0.26 0.00 -0.15 0.00 0.00 54.97 54.27 1joa s GLU 315 Cb -0.01 0.13 -0.20 0.00 -0.44 0.00 0.00 34.13 33.62 1joa s GLU 315 CO 0.59 -0.06 2.15 -1.25 0.95 0.00 0.00 175.26 177.64 1joa s PRO 316 N -0.62 1.37 -0.11 -4.83 0.04 -1.26 -4.55 135.00 125.04 1joa s PRO 316 Ca -0.07 -0.33 0.08 0.00 0.04 0.00 0.00 61.00 60.71 1joa s PRO 316 Cb -0.04 -4.97 -0.12 0.00 0.04 0.00 0.00 34.50 29.40 1joa s PRO 316 CO 0.01 -5.18 0.00 1.33 0.04 0.00 0.00 177.00 173.20 1joa n VAL 317 N 8.88 0.75 -3.97 -0.36 0.24 -1.26 -4.91 118.33 117.70 1joa n VAL 317 Ca 0.43 -0.42 -0.33 0.00 -2.04 0.00 0.00 64.34 61.98 1joa n VAL 317 Cb 0.46 -0.77 -0.14 0.00 -1.47 0.00 0.00 33.84 31.92 1joa n VAL 317 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1joa s LYS 318 N -2.26 1.81 0.41 7.34 -0.14 -1.26 -5.08 119.74 120.56 1joa s LYS 318 Ca -0.08 -1.71 -0.24 0.00 -1.36 0.00 0.00 55.97 52.57 1joa s LYS 318 Cb 0.04 -3.22 -0.08 0.00 -1.68 0.00 0.00 37.83 32.88 1joa s LYS 318 CO 0.41 -0.86 1.13 -1.25 -0.76 0.00 0.00 175.35 174.02 1joa s PRO 319 N 1.02 4.04 0.16 -1.68 0.04 -1.26 -4.69 135.00 132.62 1joa s PRO 319 Ca 0.05 1.72 -0.31 0.00 0.04 0.00 0.00 61.00 62.50 1joa s PRO 319 Cb -0.20 -2.59 -0.10 0.00 0.04 0.00 0.00 34.50 31.65 1joa s PRO 319 CO -0.06 -0.30 1.65 0.12 0.04 0.00 0.00 177.00 178.45 1joa s PHE 320 N -1.51 2.83 0.34 0.56 5.36 -0.06 -4.91 117.98 120.58 1joa s PHE 320 Ca 0.58 0.44 0.38 0.00 -0.96 0.00 0.00 56.93 57.37 1joa s PHE 320 Cb -0.27 -4.01 1.91 0.00 -0.34 0.00 0.00 43.02 40.30 1joa s PHE 320 CO 0.34 -3.87 2.15 -1.00 -1.46 0.00 0.00 175.22 171.38 1joa h PRO 321 N 7.22 0.00 0.00 10.12 0.13 -1.93 -3.49 132.00 144.06 1joa h PRO 321 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1joa h PRO 321 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1joa h PRO 321 CO 0.93 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.11 1joa n GLY 322 N -0.73 -0.56 3.27 1.56 0.00 -1.26 -4.90 105.19 102.57 1joa n GLY 322 Ca -0.02 -1.64 -0.15 0.00 0.00 0.00 0.00 46.02 44.21 1joa n GLY 322 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1joa s VAL 323 N -2.95 1.22 -1.63 1.61 -7.23 0.27 -4.90 120.40 106.79 1joa s VAL 323 Ca 0.00 -2.08 0.18 0.00 -1.81 0.00 0.00 61.98 58.28 1joa s VAL 323 Cb 0.00 -1.95 -0.02 0.00 0.56 0.00 0.00 36.38 34.97 1joa s VAL 323 CO 0.00 -0.67 0.93 0.00 -0.31 0.00 0.00 175.10 175.05 1joa n GLN 324 N -0.25 1.49 -2.83 4.82 3.00 -1.26 -1.46 117.38 120.89 1joa n GLN 324 Ca -0.09 -0.82 -0.08 0.00 -0.01 0.00 0.00 57.00 56.00 1joa n GLN 324 Cb 0.61 -1.35 0.03 0.00 0.00 0.00 0.00 30.24 29.53 1joa n GLN 324 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1joa n GLY 325 N 1.26 0.44 3.77 1.08 0.00 -1.26 -1.33 105.19 109.15 1joa n GLY 325 Ca 0.07 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 1joa n GLY 325 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1joa s SER 326 N -3.14 6.68 0.08 1.61 0.01 -1.26 -4.41 113.70 113.27 1joa s SER 326 Ca 0.18 2.51 -0.11 0.00 1.31 0.00 0.00 55.95 59.84 1joa s SER 326 Cb -0.08 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.53 1joa s SER 326 CO 0.24 -0.58 0.24 -0.94 0.41 0.00 0.00 173.24 172.62 1joa s SER 327 N -0.80 0.01 0.02 2.44 1.04 -0.08 -4.99 113.70 111.33 1joa s SER 327 Ca 0.52 -0.47 -0.20 0.00 0.48 0.00 0.00 55.95 56.28 1joa s SER 327 Cb -0.35 0.36 0.04 0.00 0.10 0.00 0.00 66.02 66.16 1joa s SER 327 CO 0.46 -0.70 0.45 -0.83 0.98 0.00 0.00 173.24 173.60 1joa s GLY 328 N -2.59 -0.32 -0.20 7.32 0.00 -1.26 -1.03 107.32 109.24 1joa s GLY 328 Ca 0.01 0.52 -0.30 0.00 0.00 0.00 0.00 44.72 44.96 1joa s GLY 328 CO -0.09 0.25 1.12 -2.27 0.00 0.00 0.00 173.10 172.11 1joa s LEU 329 N -1.73 -0.25 -0.13 0.66 2.96 -0.64 -4.98 118.68 114.57 1joa s LEU 329 Ca -0.08 0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 54.07 1joa s LEU 329 Cb -0.02 1.60 -0.03 0.00 0.50 0.00 0.00 46.19 48.25 1joa s LEU 329 CO 0.01 -0.25 -0.06 0.00 -1.32 0.00 0.00 176.35 174.74 1joa s ALA 330 N -1.19 2.96 -0.34 5.97 0.00 -1.26 -0.70 121.76 127.21 1joa s ALA 330 Ca 0.02 -0.84 -0.02 0.00 0.00 0.00 0.00 51.96 51.12 1joa s ALA 330 Cb -0.01 -1.43 0.07 0.00 0.00 0.00 0.00 23.12 21.75 1joa s ALA 330 CO -0.02 0.32 0.07 0.08 0.00 0.00 0.00 175.76 176.21 1joa s VAL 331 N 0.03 3.13 0.00 0.00 1.01 0.90 -4.96 120.40 120.52 1joa s VAL 331 Ca -0.01 -1.58 0.00 0.00 0.00 0.00 0.00 61.98 60.39 1joa s VAL 331 Cb -0.14 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1joa s VAL 331 CO 0.03 -0.30 0.00 0.49 0.00 0.00 0.00 175.10 175.32 1joa n PHE 332 N 4.62 0.00 1.37 5.22 3.72 -1.26 -1.35 117.46 129.78 1joa n PHE 332 Ca -0.09 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.44 1joa n PHE 332 Cb 0.43 0.00 0.49 0.00 -0.94 0.00 0.00 39.48 39.46 1joa n PHE 332 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1joa n ASP 333 N 6.18 0.95 -4.75 4.37 8.00 -1.26 -4.83 116.55 125.21 1joa n ASP 333 Ca 0.00 -0.95 -0.35 0.00 0.71 0.00 0.00 54.79 54.20 1joa n ASP 333 Cb 0.00 0.05 -0.08 0.00 -0.02 0.00 0.00 41.12 41.07 1joa n ASP 333 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1joa s TYR 334 N -2.36 3.44 -0.24 1.24 2.02 -0.46 -4.28 117.35 116.71 1joa s TYR 334 Ca 0.29 0.39 -0.05 0.00 -0.37 0.00 0.00 57.07 57.34 1joa s TYR 334 Cb 0.20 -2.16 -0.00 0.00 -0.40 0.00 0.00 41.96 39.60 1joa s TYR 334 CO 0.46 0.34 -0.01 0.15 -1.57 0.00 0.00 175.55 174.92 1joa s LYS 335 N 0.20 3.28 0.28 -0.62 1.02 -0.57 -0.07 119.74 123.27 1joa s LYS 335 Ca 0.10 -0.70 0.12 0.00 0.02 0.00 0.00 55.97 55.51 1joa s LYS 335 Cb -0.11 -3.12 -0.05 0.00 -0.52 0.00 0.00 37.83 34.03 1joa s LYS 335 CO -0.00 -0.27 -0.19 -0.59 -0.92 0.00 0.00 175.35 173.37 1joa s PHE 336 N 1.48 2.27 0.05 3.18 -0.12 0.12 -2.56 117.98 122.41 1joa s PHE 336 Ca 0.04 -0.35 -0.11 0.00 -0.05 0.00 0.00 56.93 56.46 1joa s PHE 336 Cb -0.15 -1.01 0.01 0.00 -0.63 0.00 0.00 43.02 41.24 1joa s PHE 336 CO -0.01 0.70 0.24 0.00 -0.05 0.00 0.00 175.22 176.10 1joa s ALA 337 N -2.53 -0.48 0.01 1.99 0.00 -0.45 -1.62 121.76 118.67 1joa s ALA 337 Ca 0.30 -0.21 -0.20 0.00 0.00 0.00 0.00 51.96 51.84 1joa s ALA 337 Cb -0.04 0.34 0.04 0.00 0.00 0.00 0.00 23.12 23.46 1joa s ALA 337 CO 0.15 -0.41 0.46 -1.54 0.00 0.00 0.00 175.76 174.41 1joa s SER 338 N -2.21 -0.36 0.02 0.00 1.04 -0.20 -0.85 113.70 111.14 1joa s SER 338 Ca -0.03 0.19 -0.06 0.00 0.48 0.00 0.00 55.95 56.53 1joa s SER 338 Cb -0.00 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 1joa s SER 338 CO -0.05 -0.60 0.10 0.28 0.98 0.00 0.00 173.24 173.95 1joa s THR 339 N -1.91 0.11 0.00 2.02 -1.32 -0.58 -0.91 115.64 113.06 1joa s THR 339 Ca -0.09 -0.90 0.00 0.00 -1.21 0.00 0.00 61.69 59.49 1joa s THR 339 Cb -0.02 -0.63 0.00 0.00 -1.51 0.00 0.00 72.50 70.34 1joa s THR 339 CO 0.02 -0.50 0.00 0.61 -2.21 0.00 0.00 174.62 172.54 1joa n GLY 340 N 1.14 -0.37 3.73 6.08 0.00 -0.44 -1.23 105.19 114.09 1joa n GLY 340 Ca -0.21 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 1joa n GLY 340 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1joa s ILE 341 N 0.00 3.61 0.21 -0.61 1.01 -0.07 -4.77 121.20 120.59 1joa s ILE 341 Ca 0.00 1.25 0.02 0.00 0.00 0.00 0.00 60.65 61.92 1joa s ILE 341 Cb 0.00 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 1joa s ILE 341 CO 0.00 0.15 0.06 -0.46 0.00 0.00 0.00 174.94 174.69 1joa n ASN 342 N 3.22 1.34 0.26 3.58 0.23 -1.26 -4.28 115.26 118.35 1joa n ASN 342 Ca 0.07 -2.10 -0.16 0.00 -0.53 0.00 0.00 54.58 51.86 1joa n ASN 342 Cb 0.44 0.47 -0.08 0.00 -2.08 0.00 0.00 39.78 38.53 1joa n ASN 342 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1joa h GLU 343 N 0.00 -0.71 -0.17 -3.83 4.81 -1.89 -0.40 114.58 112.39 1joa h GLU 343 Ca -0.17 0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1joa h GLU 343 Cb 0.62 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.12 1joa h GLU 343 CO 0.27 -0.47 -0.08 0.28 -0.73 0.00 0.00 179.01 178.28 1joa h VAL 344 N -0.74 0.73 -0.51 0.32 2.07 -1.91 -0.44 116.25 115.78 1joa h VAL 344 Ca -0.04 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1joa h VAL 344 Cb 0.63 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1joa h VAL 344 CO 0.01 0.00 0.14 -0.03 0.02 0.00 0.00 177.57 177.71 1joa h MET 345 N -0.07 0.77 -0.55 1.57 1.85 -1.83 0.25 114.93 116.92 1joa h MET 345 Ca 0.09 -0.14 -0.07 0.00 -0.61 0.00 0.00 59.70 58.97 1joa h MET 345 Cb 0.20 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 32.09 1joa h MET 345 CO -0.21 0.68 0.07 0.00 -0.40 0.00 0.00 176.91 177.05 1joa h ALA 346 N 1.41 0.73 0.04 0.39 0.00 -0.57 -1.02 119.26 120.23 1joa h ALA 346 Ca 0.17 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1joa h ALA 346 Cb 0.25 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1joa h ALA 346 CO -0.01 0.50 -0.02 1.96 0.00 0.00 0.00 179.25 181.69 1joa h GLN 347 N 0.82 -0.05 0.00 0.00 4.20 -0.04 0.17 115.11 120.20 1joa h GLN 347 Ca 0.16 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 1joa h GLN 347 Cb 0.44 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 1joa h GLN 347 CO 0.02 0.00 -0.01 -0.22 -0.67 0.00 0.00 178.83 177.95 1joa h LYS 348 N -0.09 0.00 0.00 1.46 1.63 -0.76 -1.19 116.57 117.61 1joa h LYS 348 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1joa h LYS 348 Cb 0.08 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 1joa h LYS 348 CO 0.01 0.01 -0.93 1.28 -3.45 0.00 0.00 179.45 176.37 1joa n LEU 349 N -4.37 0.70 -2.20 5.20 4.77 -0.41 -4.95 117.00 115.74 1joa n LEU 349 Ca -0.03 -0.20 -0.16 0.00 -0.03 0.00 0.00 56.01 55.59 1joa n LEU 349 Cb 0.10 -0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1joa n LEU 349 CO 0.33 0.14 -0.02 0.61 -1.33 0.00 0.00 177.39 177.12 1joa n GLY 350 N 1.45 -0.20 3.54 -0.72 0.00 0.46 -4.98 105.19 104.73 1joa n GLY 350 Ca 0.03 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 1joa n GLY 350 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1joa s LYS 351 N -5.31 3.84 0.03 1.61 2.20 -0.42 -5.02 119.74 116.67 1joa s LYS 351 Ca 0.20 -0.38 -0.30 0.00 -0.36 0.00 0.00 55.97 55.12 1joa s LYS 351 Cb -0.09 -3.52 -0.05 0.00 -1.51 0.00 0.00 37.83 32.67 1joa s LYS 351 CO 0.24 -0.17 1.16 -1.21 -0.36 0.00 0.00 175.35 175.02 1joa s GLU 352 N 1.66 4.44 0.31 4.03 2.02 -1.26 -4.65 118.70 125.24 1joa s GLU 352 Ca 0.07 1.69 0.03 0.00 0.02 0.00 0.00 54.97 56.78 1joa s GLU 352 Cb -0.16 -3.41 -0.06 0.00 0.10 0.00 0.00 34.13 30.61 1joa s GLU 352 CO 0.08 -0.26 0.07 0.95 0.02 0.00 0.00 175.26 176.12 1joa s THR 353 N 1.28 0.98 0.12 3.63 -4.23 -1.26 -4.48 115.64 111.69 1joa s THR 353 Ca 0.57 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.13 1joa s THR 353 Cb -0.27 -2.74 -0.04 0.00 1.34 0.00 0.00 72.50 70.79 1joa s THR 353 CO 0.28 0.00 -0.12 -0.54 -0.54 0.00 0.00 174.62 173.70 1joa s LYS 354 N -3.93 0.99 0.20 3.99 1.02 -0.55 -4.84 119.74 116.62 1joa s LYS 354 Ca 0.37 -1.28 -0.23 0.00 0.02 0.00 0.00 55.97 54.85 1joa s LYS 354 Cb 0.08 -0.73 0.05 0.00 -0.52 0.00 0.00 37.83 36.72 1joa s LYS 354 CO 0.15 0.12 0.70 0.00 -0.92 0.00 0.00 175.35 175.40 1joa s ALA 355 N -2.56 -1.45 0.07 5.17 0.00 -1.26 -1.21 121.76 120.51 1joa s ALA 355 Ca 0.10 0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.24 1joa s ALA 355 Cb -0.02 0.82 -0.03 0.00 0.00 0.00 0.00 23.12 23.89 1joa s ALA 355 CO 0.02 -0.90 -0.08 0.14 0.00 0.00 0.00 175.76 174.93 1joa s VAL 356 N -3.75 0.70 -0.03 0.00 -7.23 -0.79 -4.96 120.40 104.33 1joa s VAL 356 Ca 0.06 -1.45 0.04 0.00 -1.81 0.00 0.00 61.98 58.83 1joa s VAL 356 Cb -0.03 -1.09 -0.01 0.00 0.56 0.00 0.00 36.38 35.81 1joa s VAL 356 CO -0.03 -0.55 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.17 1joa s THR 357 N -2.22 1.28 -0.10 5.32 2.01 -1.26 -1.00 115.64 119.67 1joa s THR 357 Ca -0.00 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.35 1joa s THR 357 Cb -0.04 -1.09 0.02 0.00 0.01 0.00 0.00 72.50 71.39 1joa s THR 357 CO -0.01 0.37 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.49 1joa s VAL 358 N -0.07 1.23 -0.28 3.82 1.01 -0.57 -4.98 120.40 120.56 1joa s VAL 358 Ca -0.01 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.54 1joa s VAL 358 Cb -0.09 -1.17 0.07 0.00 0.00 0.00 0.00 36.38 35.19 1joa s VAL 358 CO 0.01 0.39 -0.05 -0.69 0.00 0.00 0.00 175.10 174.76 1joa s VAL 359 N 1.23 2.01 0.22 2.92 1.01 -1.26 -1.54 120.40 124.98 1joa s VAL 359 Ca -0.03 -1.71 -0.23 0.00 0.00 0.00 0.00 61.98 60.01 1joa s VAL 359 Cb -0.14 -2.25 0.04 0.00 0.00 0.00 0.00 36.38 34.03 1joa s VAL 359 CO -0.04 -0.20 0.82 -1.83 0.00 0.00 0.00 175.10 173.86 1joa s GLU 360 N 1.14 1.50 0.16 2.72 -1.05 -0.64 -4.93 118.70 117.59 1joa s GLU 360 Ca -0.03 -0.82 -0.31 0.00 -0.15 0.00 0.00 54.97 53.66 1joa s GLU 360 Cb -0.19 0.52 -0.10 0.00 -0.44 0.00 0.00 34.13 33.92 1joa s GLU 360 CO -0.07 -0.68 1.52 -0.51 0.95 0.00 0.00 175.26 176.47 1joa s ASP 361 N -2.92 6.64 0.00 0.83 1.01 -1.25 -0.56 116.67 120.43 1joa s ASP 361 Ca 0.11 2.55 0.28 0.00 0.71 0.00 0.00 52.55 56.20 1joa s ASP 361 Cb -0.04 -2.59 1.46 0.00 1.01 0.00 0.00 42.92 42.76 1joa s ASP 361 CO 0.04 -0.78 1.96 0.00 0.21 0.00 0.00 175.17 176.60 1joa n TYR 362 N 3.88 0.02 -4.34 4.23 4.11 -0.79 -4.75 117.16 119.51 1joa n TYR 362 Ca 0.13 -0.01 -0.23 0.00 -0.00 0.00 0.00 57.90 57.79 1joa n TYR 362 Cb 0.39 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.62 1joa n TYR 362 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1joa s LEU 363 N -1.90 2.40 0.67 -3.48 1.43 -1.26 -3.26 118.68 113.28 1joa s LEU 363 Ca 0.41 -0.81 -0.16 0.00 -1.03 0.00 0.00 54.13 52.53 1joa s LEU 363 Cb 0.20 -0.92 0.01 0.00 0.03 0.00 0.00 46.19 45.51 1joa s LEU 363 CO 0.33 0.02 1.21 -0.04 0.23 0.00 0.00 176.35 178.10 1joa s MET 364 N -2.52 2.49 0.24 1.70 -1.94 -1.26 -4.82 119.30 113.18 1joa s MET 364 Ca 0.14 1.79 -0.10 0.00 -1.71 0.00 0.00 55.69 55.81 1joa s MET 364 Cb -0.07 -1.87 0.37 0.00 2.01 0.00 0.00 34.83 35.27 1joa s MET 364 CO 0.07 -1.58 1.61 0.22 -0.01 0.00 0.00 175.02 175.33 1joa h ASP 365 N 0.18 -0.59 0.54 3.03 1.82 -2.00 0.71 116.42 120.12 1joa h ASP 365 Ca -0.49 0.22 0.00 0.00 -0.39 0.00 0.00 57.03 56.37 1joa h ASP 365 Cb 1.30 0.43 0.00 0.00 0.68 0.00 0.00 39.33 41.74 1joa h ASP 365 CO 0.52 -0.24 0.00 2.22 -1.61 0.00 0.00 179.24 180.13 1joa n PHE 366 N -5.45 0.00 -3.26 0.28 -1.74 -1.26 -4.66 117.46 101.36 1joa n PHE 366 Ca 0.12 0.00 -0.41 0.00 -0.56 0.00 0.00 57.45 56.60 1joa n PHE 366 Cb 0.43 -0.49 -0.08 0.00 1.52 0.00 0.00 39.48 40.86 1joa n PHE 366 CO 0.00 0.00 0.00 1.21 -0.56 0.00 0.00 176.76 177.41 1joa s ASN 367 N -2.98 6.30 0.42 5.98 3.84 0.24 -4.93 114.94 123.81 1joa s ASN 367 Ca 0.08 -0.02 0.20 0.00 0.21 0.00 0.00 52.86 53.34 1joa s ASN 367 Cb 0.11 -2.26 1.11 0.00 -0.55 0.00 0.00 41.25 39.66 1joa s ASN 367 CO 0.29 -0.45 1.57 1.55 -2.79 0.00 0.00 177.10 177.28 1joa h PRO 368 N 8.43 0.00 -0.43 0.43 0.13 -1.85 -2.12 132.00 136.58 1joa h PRO 368 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1joa h PRO 368 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1joa h PRO 368 CO 0.76 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.28 1joa n ASP 369 N -2.34 2.29 -4.77 1.44 8.00 -1.26 -4.97 116.55 114.94 1joa n ASP 369 Ca -0.01 -2.01 -0.39 0.00 0.71 0.00 0.00 54.79 53.09 1joa n ASP 369 Cb 0.26 -0.29 0.01 0.00 -0.02 0.00 0.00 41.12 41.08 1joa n ASP 369 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1joa s LYS 370 N -1.44 3.78 0.05 -1.24 -2.85 -0.80 -4.93 119.74 112.32 1joa s LYS 370 Ca 0.28 2.20 -0.08 0.00 -1.00 0.00 0.00 55.97 57.37 1joa s LYS 370 Cb 0.15 -2.64 -0.00 0.00 -2.06 0.00 0.00 37.83 33.27 1joa s LYS 370 CO 0.19 -0.66 0.17 -0.65 0.10 0.00 0.00 175.35 174.50 1joa s GLN 371 N -2.41 0.71 0.41 1.78 -0.21 -1.26 -4.98 119.66 113.71 1joa s GLN 371 Ca 0.60 -0.77 -0.26 0.00 0.02 0.00 0.00 55.36 54.95 1joa s GLN 371 Cb -0.39 0.29 -0.09 0.00 1.00 0.00 0.00 33.01 33.82 1joa s GLN 371 CO 0.49 -0.21 1.34 0.15 -2.12 0.00 0.00 175.29 174.95 1joa s LYS 372 N -3.01 3.91 0.02 2.91 1.02 -1.26 -1.89 119.74 121.45 1joa s LYS 372 Ca -0.02 2.24 0.02 0.00 0.02 0.00 0.00 55.97 58.24 1joa s LYS 372 Cb 0.01 -2.75 -0.02 0.00 -0.52 0.00 0.00 37.83 34.56 1joa s LYS 372 CO -0.06 -0.57 -0.08 0.00 -0.92 0.00 0.00 175.35 173.72 1joa s ALA 373 N -1.24 0.63 -0.12 5.17 0.00 0.28 -4.43 121.76 122.05 1joa s ALA 373 Ca 0.57 -0.55 0.02 0.00 0.00 0.00 0.00 51.96 52.00 1joa s ALA 373 Cb -0.40 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 1joa s ALA 373 CO 0.51 0.08 -0.18 -1.58 0.00 0.00 0.00 175.76 174.59 1joa s TRP 374 N -0.75 2.70 -0.03 0.00 0.51 0.43 -1.62 118.94 120.18 1joa s TRP 374 Ca -0.03 -0.87 0.01 0.00 -2.12 0.00 0.00 56.10 53.09 1joa s TRP 374 Cb -0.06 -1.79 0.02 0.00 -0.81 0.00 0.00 33.47 30.83 1joa s TRP 374 CO 0.00 -0.33 -0.01 0.12 -0.51 0.00 0.00 176.95 176.22 1joa s PHE 375 N 0.39 0.36 -0.10 -1.98 2.19 -0.59 -0.41 117.98 117.83 1joa s PHE 375 Ca -0.14 -0.03 0.03 0.00 0.33 0.00 0.00 56.93 57.12 1joa s PHE 375 Cb -0.17 -0.40 -0.00 0.00 -1.31 0.00 0.00 43.02 41.14 1joa s PHE 375 CO 0.07 -0.11 -0.22 0.21 1.83 0.00 0.00 175.22 176.99 1joa s LYS 376 N 0.82 3.07 -0.21 10.12 2.20 0.51 -1.52 119.74 134.75 1joa s LYS 376 Ca -0.09 -0.84 -0.02 0.00 -0.36 0.00 0.00 55.97 54.67 1joa s LYS 376 Cb -0.12 -2.36 0.00 0.00 -1.51 0.00 0.00 37.83 33.85 1joa s LYS 376 CO -0.01 0.21 -0.10 -1.17 -0.36 0.00 0.00 175.35 173.92 1joa s LEU 377 N 0.29 2.65 -0.16 5.43 2.96 -0.17 -1.60 118.68 128.07 1joa s LEU 377 Ca -0.16 -0.53 -0.06 0.00 -0.22 0.00 0.00 54.13 53.17 1joa s LEU 377 Cb -0.17 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 1joa s LEU 377 CO 0.08 -0.02 0.03 -0.69 -1.32 0.00 0.00 176.35 174.42 1joa s VAL 378 N 1.40 4.47 0.26 1.68 1.01 -0.27 -1.89 120.40 127.05 1joa s VAL 378 Ca 0.05 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.89 1joa s VAL 378 Cb -0.14 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 1joa s VAL 378 CO -0.07 0.49 0.11 -0.72 0.00 0.00 0.00 175.10 174.90 1joa s TYR 379 N 0.25 1.50 0.06 5.22 1.13 -0.35 -0.82 117.35 124.33 1joa s TYR 379 Ca 0.01 -1.22 -0.30 0.00 -1.41 0.00 0.00 57.07 54.15 1joa s TYR 379 Cb -0.13 -0.86 -0.05 0.00 -1.10 0.00 0.00 41.96 39.82 1joa s TYR 379 CO 0.01 -0.39 1.14 0.34 -2.51 0.00 0.00 175.55 174.15 1joa s ASP 380 N -3.30 7.16 0.36 -0.18 -1.08 -0.24 -1.48 116.67 117.90 1joa s ASP 380 Ca 0.38 1.94 0.11 0.00 -0.52 0.00 0.00 52.55 54.45 1joa s ASP 380 Cb 0.07 -2.58 0.67 0.00 -1.46 0.00 0.00 42.92 39.62 1joa s ASP 380 CO 0.14 -0.41 1.81 -0.65 0.52 0.00 0.00 175.17 176.59 1joa h PRO 381 N 6.69 0.10 0.12 4.34 0.11 -1.88 0.13 132.00 141.60 1joa h PRO 381 Ca -0.42 -0.04 -0.35 0.00 0.11 0.00 0.00 66.00 65.30 1joa h PRO 381 Cb 1.22 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1joa h PRO 381 CO 0.79 0.43 -1.89 0.93 -0.21 0.00 0.00 178.00 178.05 1joa h GLU 382 N 0.09 0.26 0.00 1.05 5.08 -1.94 -3.40 114.58 115.72 1joa h GLU 382 Ca 0.01 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1joa h GLU 382 Cb 0.64 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1joa h GLU 382 CO 0.05 1.15 -1.25 0.25 -1.00 0.00 0.00 179.01 178.21 1joa n THR 383 N -3.45 0.00 -1.33 1.13 -2.24 -1.19 -4.97 114.28 102.24 1joa n THR 383 Ca -0.28 -0.19 -0.13 0.00 -2.27 0.00 0.00 64.05 61.19 1joa n THR 383 Cb 1.05 0.67 -0.05 0.00 -2.10 0.00 0.00 70.33 69.90 1joa n THR 383 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1joa n THR 384 N -1.71 0.00 -2.43 4.28 -2.24 0.43 -4.89 114.28 107.73 1joa n THR 384 Ca 0.01 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.44 1joa n THR 384 Cb 0.37 -1.27 -0.02 0.00 -2.10 0.00 0.00 70.33 67.31 1joa n THR 384 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1joa s GLN 385 N -2.99 3.73 0.03 -0.78 -2.07 -1.26 -1.53 119.66 114.79 1joa s GLN 385 Ca 0.00 1.51 -0.30 0.00 -1.82 0.00 0.00 55.36 54.74 1joa s GLN 385 Cb 0.00 -2.18 -0.06 0.00 -1.09 0.00 0.00 33.01 29.68 1joa s GLN 385 CO 0.00 -0.51 1.33 0.42 -1.32 0.00 0.00 175.29 175.20 1joa s ILE 386 N -1.82 3.78 -0.04 3.63 -1.09 0.39 -1.07 121.20 124.98 1joa s ILE 386 Ca 0.67 1.21 0.08 0.00 -2.23 0.00 0.00 60.65 60.38 1joa s ILE 386 Cb -0.21 -3.78 -0.11 0.00 -1.58 0.00 0.00 42.46 36.78 1joa s ILE 386 CO 0.25 0.04 0.18 0.18 -1.23 0.00 0.00 174.94 174.35 1joa n LEU 387 N 4.74 0.03 0.00 2.97 4.77 -0.00 -4.47 117.00 125.04 1joa n LEU 387 Ca 0.12 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1joa n LEU 387 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1joa n LEU 387 CO 0.57 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 1joa n GLY 388 N 1.99 0.11 3.42 -0.72 0.00 -0.90 -0.90 105.19 108.20 1joa n GLY 388 Ca -0.01 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 1joa n GLY 388 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1joa s ALA 389 N -2.00 -1.36 -0.02 4.61 0.00 -0.37 -1.12 121.76 121.50 1joa s ALA 389 Ca 0.00 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.23 1joa s ALA 389 Cb 0.00 0.84 0.01 0.00 0.00 0.00 0.00 23.12 23.97 1joa s ALA 389 CO 0.00 -0.75 -0.02 -0.65 0.00 0.00 0.00 175.76 174.33 1joa s GLN 390 N -3.78 0.38 0.08 0.00 -0.21 -0.63 -1.52 119.66 113.98 1joa s GLN 390 Ca 0.03 -0.05 0.02 0.00 0.02 0.00 0.00 55.36 55.38 1joa s GLN 390 Cb -0.00 -0.45 -0.04 0.00 1.00 0.00 0.00 33.01 33.52 1joa s GLN 390 CO -0.11 -0.03 -0.08 -0.48 -2.12 0.00 0.00 175.29 172.48 1joa s LEU 391 N 0.49 2.42 -0.26 2.90 0.05 -0.03 -0.36 118.68 123.89 1joa s LEU 391 Ca -0.05 -0.84 -0.24 0.00 0.05 0.00 0.00 54.13 53.05 1joa s LEU 391 Cb -0.08 -0.15 0.07 0.00 -2.05 0.00 0.00 46.19 43.98 1joa s LEU 391 CO -0.01 -0.35 0.69 -0.32 -0.55 0.00 0.00 176.35 175.82 1joa s MET 392 N -2.98 0.82 -0.05 1.48 1.75 0.45 -1.34 119.30 119.42 1joa s MET 392 Ca 0.04 0.95 -0.30 0.00 -1.25 0.00 0.00 55.69 55.13 1joa s MET 392 Cb -0.01 0.40 0.11 0.00 2.84 0.00 0.00 34.83 38.17 1joa s MET 392 CO -0.02 -0.10 0.97 0.45 -0.65 0.00 0.00 175.02 175.67 1joa s SER 393 N 0.33 -0.30 0.40 1.11 0.15 -1.06 -0.43 113.70 113.91 1joa s SER 393 Ca -0.00 -0.01 0.28 0.00 0.70 0.00 0.00 55.95 56.92 1joa s SER 393 Cb -0.05 0.32 1.05 0.00 -1.71 0.00 0.00 66.02 65.63 1joa s SER 393 CO 0.01 -0.53 1.82 0.11 1.20 0.00 0.00 173.24 175.86 1joa h LYS 394 N 2.00 0.00 -6.30 5.44 1.57 -1.77 -1.51 116.57 116.00 1joa h LYS 394 Ca -0.19 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.03 1joa h LYS 394 Cb 1.22 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.49 1joa h LYS 394 CO 0.29 0.00 -0.00 0.00 -0.57 0.00 0.00 179.45 179.17 1joa s ALA 395 N -3.43 3.56 -0.69 3.86 0.00 -1.26 -4.80 121.76 119.00 1joa s ALA 395 Ca 0.04 0.08 -0.27 0.00 0.00 0.00 0.00 51.96 51.81 1joa s ALA 395 Cb 0.09 -2.68 0.03 0.00 0.00 0.00 0.00 23.12 20.56 1joa s ALA 395 CO 0.51 0.39 1.23 0.34 0.00 0.00 0.00 175.76 178.23 1joa s ASP 396 N -1.18 6.23 -0.06 0.00 2.15 -1.26 -4.72 116.67 117.83 1joa s ASP 396 Ca 0.31 -0.37 0.14 0.00 0.43 0.00 0.00 52.55 53.06 1joa s ASP 396 Cb -0.20 -2.54 0.44 0.00 -0.30 0.00 0.00 42.92 40.32 1joa s ASP 396 CO 0.20 -1.71 1.37 0.18 -0.17 0.00 0.00 175.17 175.04 1joa n LEU 397 N 8.99 3.49 0.26 -1.34 4.77 -1.26 -4.75 117.00 127.16 1joa n LEU 397 Ca 0.04 -2.30 0.09 0.00 -0.03 0.00 0.00 56.01 53.80 1joa n LEU 397 Cb 0.49 -0.37 0.66 0.00 -2.33 0.00 0.00 43.42 41.86 1joa n LEU 397 CO 0.70 0.75 1.07 0.71 -1.33 0.00 0.00 177.39 179.29 1joa h THR 398 N 2.43 0.96 0.00 -5.08 1.35 -1.88 -1.56 112.91 109.13 1joa h THR 398 Ca 0.00 -0.03 -0.02 0.00 -0.55 0.00 0.00 66.41 65.81 1joa h THR 398 Cb 1.02 1.02 -0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1joa h THR 398 CO 0.09 0.01 -0.10 0.00 -0.25 0.00 0.00 175.52 175.26 1joa h ALA 399 N 1.99 1.32 -0.39 6.62 0.00 -2.00 -1.21 119.26 125.59 1joa h ALA 399 Ca -0.00 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 54.93 1joa h ALA 399 Cb 0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1joa h ALA 399 CO 0.00 0.13 0.35 -0.91 0.00 0.00 0.00 179.25 178.82 1joa h ASN 400 N 0.00 0.00 0.66 0.00 2.35 -1.67 -1.42 115.58 115.50 1joa h ASN 400 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1joa h ASN 400 Cb 0.29 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 1joa h ASN 400 CO 0.01 0.00 -0.11 -0.29 -1.65 0.00 0.00 177.43 175.40 1joa h ILE 401 N 0.00 0.35 -0.06 2.81 6.09 -1.42 -2.49 117.51 122.80 1joa h ILE 401 Ca 0.18 -0.64 -0.07 0.00 -1.37 0.00 0.00 64.86 62.97 1joa h ILE 401 Cb 0.88 1.47 -0.01 0.00 0.47 0.00 0.00 36.82 39.63 1joa h ILE 401 CO -0.00 0.10 -0.28 0.78 -3.07 0.00 0.00 178.15 175.68 1joa h ASN 402 N 0.00 0.10 -0.00 2.19 -0.26 -1.45 -1.18 115.58 114.98 1joa h ASN 402 Ca -0.00 -0.03 -0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1joa h ASN 402 Cb 0.46 -0.03 -0.00 0.00 -1.06 0.00 0.00 38.32 37.70 1joa h ASN 402 CO 0.01 0.39 0.00 0.00 -1.06 0.00 0.00 177.43 176.77 1joa h ALA 403 N 1.62 0.01 -0.88 -0.83 0.00 -1.60 -1.74 119.26 115.84 1joa h ALA 403 Ca 0.01 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1joa h ALA 403 Cb 0.55 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1joa h ALA 403 CO 0.04 -0.40 0.57 0.82 0.00 0.00 0.00 179.25 180.28 1joa h ILE 404 N -0.18 1.15 -0.48 0.00 1.08 -1.48 0.22 117.51 117.82 1joa h ILE 404 Ca 0.00 -0.38 0.04 0.00 -0.39 0.00 0.00 64.86 64.14 1joa h ILE 404 Cb 0.19 -0.05 -0.04 0.00 -3.07 0.00 0.00 36.82 33.84 1joa h ILE 404 CO -0.00 0.20 0.23 -1.28 -0.69 0.00 0.00 178.15 176.61 1joa h SER 405 N 1.10 0.33 0.05 1.72 0.87 -0.73 -0.96 113.55 115.92 1joa h SER 405 Ca 0.35 0.03 -0.13 0.00 -1.23 0.00 0.00 61.79 60.81 1joa h SER 405 Cb 0.00 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1joa h SER 405 CO -0.12 0.23 -0.43 -0.07 -0.53 0.00 0.00 176.83 175.91 1joa h LEU 406 N 0.46 0.51 -0.77 2.23 3.38 -0.62 -2.24 115.31 118.26 1joa h LEU 406 Ca 0.21 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1joa h LEU 406 Cb 0.13 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1joa h LEU 406 CO -0.16 0.88 0.31 0.00 0.09 0.00 0.00 178.44 179.56 1joa h ALA 407 N 1.15 1.00 0.15 1.53 0.00 -0.05 0.36 119.26 123.41 1joa h ALA 407 Ca 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1joa h ALA 407 Cb 0.92 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1joa h ALA 407 CO 0.08 0.62 -0.07 0.82 0.00 0.00 0.00 179.25 180.70 1joa h ILE 408 N 1.11 0.92 -0.35 0.00 2.04 -1.12 0.18 117.51 120.29 1joa h ILE 408 Ca 0.26 -0.31 0.07 0.00 1.00 0.00 0.00 64.86 65.87 1joa h ILE 408 Cb 0.21 1.12 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 1joa h ILE 408 CO -0.02 0.07 -0.05 -0.61 0.00 0.00 0.00 178.15 177.54 1joa h GLN 409 N -0.36 0.04 0.00 2.37 4.15 -1.17 0.52 115.11 120.66 1joa h GLN 409 Ca -0.02 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1joa h GLN 409 Cb 0.28 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.96 1joa h GLN 409 CO 0.03 0.03 0.00 0.00 -1.93 0.00 0.00 178.83 176.96 1joa n ALA 410 N -2.57 2.39 -3.83 3.38 0.00 0.13 -4.86 120.51 115.14 1joa n ALA 410 Ca 0.01 -0.06 -0.27 0.00 0.00 0.00 0.00 53.44 53.13 1joa n ALA 410 Cb 0.19 -1.15 0.03 0.00 0.00 0.00 0.00 19.45 18.52 1joa n ALA 410 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1joa n LYS 411 N -0.67 -5.26 -1.84 0.00 4.76 0.17 -4.99 118.16 110.33 1joa n LYS 411 Ca 0.07 0.60 -0.29 0.00 -2.87 0.00 0.00 58.31 55.81 1joa n LYS 411 Cb 0.03 -5.35 0.08 0.00 -1.84 0.00 0.00 35.03 27.95 1joa n LYS 411 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1joa s MET 412 N -6.38 2.26 0.35 1.97 -1.94 0.50 -4.81 119.30 111.26 1joa s MET 412 Ca 0.39 0.30 0.09 0.00 -1.71 0.00 0.00 55.69 54.76 1joa s MET 412 Cb -0.20 -1.97 -0.05 0.00 2.01 0.00 0.00 34.83 34.62 1joa s MET 412 CO 0.82 -1.43 0.04 0.95 -0.01 0.00 0.00 175.02 175.39 1joa s THR 413 N -3.44 2.56 0.44 2.05 -4.23 -1.26 -0.46 115.64 111.30 1joa s THR 413 Ca 0.61 -1.93 0.19 0.00 -1.18 0.00 0.00 61.69 59.37 1joa s THR 413 Cb -0.12 -2.84 0.38 0.00 1.34 0.00 0.00 72.50 71.27 1joa s THR 413 CO 0.51 -0.16 1.89 0.16 -0.54 0.00 0.00 174.62 176.47 1joa h ILE 414 N 1.75 0.70 -0.15 2.99 3.07 -1.61 0.17 117.51 124.44 1joa h ILE 414 Ca -0.43 -0.12 -0.13 0.00 1.55 0.00 0.00 64.86 65.73 1joa h ILE 414 Cb 1.25 0.32 -0.01 0.00 -0.27 0.00 0.00 36.82 38.11 1joa h ILE 414 CO 0.68 0.06 -0.48 -0.08 -1.05 0.00 0.00 178.15 177.28 1joa h GLU 415 N 0.35 0.38 -0.12 0.16 4.22 -1.89 0.76 114.58 118.44 1joa h GLU 415 Ca 0.42 -0.21 -0.04 0.00 0.08 0.00 0.00 59.36 59.62 1joa h GLU 415 Cb 1.11 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 1joa h GLU 415 CO -0.13 0.78 -0.06 -0.44 -2.18 0.00 0.00 179.01 176.97 1joa h ASP 416 N 0.31 0.26 0.30 1.04 3.32 -1.09 -2.71 116.42 117.84 1joa h ASP 416 Ca 0.02 -0.42 -0.09 0.00 0.02 0.00 0.00 57.03 56.55 1joa h ASP 416 Cb 0.96 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 1joa h ASP 416 CO 0.08 0.63 -0.38 -0.07 -1.72 0.00 0.00 179.24 177.78 1joa h LEU 417 N -0.11 0.11 -1.02 1.55 3.38 -1.18 -1.91 115.31 116.14 1joa h LEU 417 Ca 0.03 -0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.06 1joa h LEU 417 Cb 0.53 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.17 1joa h LEU 417 CO 0.02 0.49 0.64 0.00 0.09 0.00 0.00 178.44 179.67 1joa h ALA 418 N 1.52 1.51 -0.08 1.53 0.00 -0.52 -2.71 119.26 120.50 1joa h ALA 418 Ca 0.01 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1joa h ALA 418 Cb 0.72 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1joa h ALA 418 CO 0.05 0.26 -0.23 0.66 0.00 0.00 0.00 179.25 179.99 1joa n TYR 419 N -4.59 0.27 -2.38 0.00 4.01 -1.14 -4.76 117.16 108.55 1joa n TYR 419 Ca 0.18 -1.31 -0.39 0.00 -0.16 0.00 0.00 57.90 56.22 1joa n TYR 419 Cb 0.33 -0.27 -0.03 0.00 -0.31 0.00 0.00 39.34 39.06 1joa n TYR 419 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1joa s ALA 420 N -3.10 3.33 -0.64 -0.72 0.00 -0.73 -4.94 121.76 114.96 1joa s ALA 420 Ca 0.38 0.95 -0.28 0.00 0.00 0.00 0.00 51.96 53.01 1joa s ALA 420 Cb 0.35 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 20.13 1joa s ALA 420 CO -0.01 -0.33 1.28 0.34 0.00 0.00 0.00 175.76 177.04 1joa s ASP 421 N -0.95 6.25 -0.07 0.00 2.15 -1.26 -4.97 116.67 117.82 1joa s ASP 421 Ca 0.50 -0.05 0.05 0.00 0.43 0.00 0.00 52.55 53.47 1joa s ASP 421 Cb -0.32 -2.55 -0.01 0.00 -0.30 0.00 0.00 42.92 39.73 1joa s ASP 421 CO 0.41 -1.68 -0.21 -0.36 -0.17 0.00 0.00 175.17 173.16 1joa s PHE 422 N 5.56 2.55 0.47 -5.34 0.08 -1.26 -5.10 117.98 114.94 1joa s PHE 422 Ca 0.42 -0.62 -0.24 0.00 0.12 0.00 0.00 56.93 56.62 1joa s PHE 422 Cb -0.08 -1.65 -0.08 0.00 -0.57 0.00 0.00 43.02 40.64 1joa s PHE 422 CO 0.21 -0.15 1.22 1.97 -0.10 0.00 0.00 175.22 178.38 1joa n PHE 423 N 2.94 1.90 -5.20 0.36 -1.74 -1.26 -4.88 117.46 109.58 1joa n PHE 423 Ca -0.18 0.48 -0.30 0.00 -0.56 0.00 0.00 57.45 56.90 1joa n PHE 423 Cb 0.52 -2.33 -0.16 0.00 1.52 0.00 0.00 39.48 39.03 1joa n PHE 423 CO 0.00 0.00 0.00 0.12 -0.56 0.00 0.00 176.76 176.32 1joa s PHE 424 N -1.26 2.20 -0.23 2.97 5.36 -1.26 -4.91 117.98 120.85 1joa s PHE 424 Ca 0.65 -0.49 -0.13 0.00 -0.96 0.00 0.00 56.93 56.00 1joa s PHE 424 Cb -0.48 -1.43 0.07 0.00 -0.34 0.00 0.00 43.02 40.84 1joa s PHE 424 CO 0.55 -0.09 0.56 -1.14 -1.46 0.00 0.00 175.22 173.64 1joa s GLN 425 N -0.43 0.57 0.57 10.12 -0.44 -1.26 -5.04 119.66 123.75 1joa s GLN 425 Ca 0.05 1.00 0.33 0.00 -2.50 0.00 0.00 55.36 54.25 1joa s GLN 425 Cb -0.11 0.08 1.74 0.00 -1.64 0.00 0.00 33.01 33.09 1joa s GLN 425 CO 0.00 -0.15 2.16 -1.35 0.50 0.00 0.00 175.29 176.46 1joa h PRO 426 N 6.92 0.00 0.00 1.67 0.11 -1.97 0.71 132.00 139.44 1joa h PRO 426 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1joa h PRO 426 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1joa h PRO 426 CO 0.22 0.06 0.00 0.00 -0.21 0.00 0.00 178.00 178.06 1joa n ALA 427 N -2.21 2.28 -0.09 -0.75 0.00 -1.26 -4.22 120.51 114.26 1joa n ALA 427 Ca -0.02 -0.04 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 1joa n ALA 427 Cb 0.18 -1.47 -0.08 0.00 0.00 0.00 0.00 19.45 18.08 1joa n ALA 427 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1joa n PHE 428 N -2.12 0.00 -3.33 0.00 3.01 0.11 -5.11 117.46 110.02 1joa n PHE 428 Ca 0.06 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.50 1joa n PHE 428 Cb 0.41 -0.67 0.01 0.00 -0.01 0.00 0.00 39.48 39.22 1joa n PHE 428 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1joa n ASP 429 N -3.04 -0.66 -4.97 4.37 5.75 -0.42 -4.94 116.55 112.64 1joa n ASP 429 Ca -0.31 -1.43 -0.21 0.00 -0.01 0.00 0.00 54.79 52.83 1joa n ASP 429 Cb 0.82 1.09 -0.01 0.00 -1.03 0.00 0.00 41.12 42.00 1joa n ASP 429 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1joa s LYS 430 N -2.02 3.29 0.42 0.11 1.02 -1.20 -4.18 119.74 117.17 1joa s LYS 430 Ca 0.05 -0.68 0.20 0.00 0.02 0.00 0.00 55.97 55.56 1joa s LYS 430 Cb -0.01 -2.76 1.14 0.00 -0.52 0.00 0.00 37.83 35.67 1joa s LYS 430 CO 0.03 0.13 1.81 -1.35 -0.92 0.00 0.00 175.35 175.05 1joa h PRO 431 N 0.85 0.35 -4.86 -1.68 0.11 -1.95 -3.25 132.00 121.57 1joa h PRO 431 Ca -0.49 -0.02 -0.68 0.00 0.11 0.00 0.00 66.00 64.93 1joa h PRO 431 Cb 1.24 -0.08 -0.32 0.00 0.11 0.00 0.00 31.00 31.95 1joa h PRO 431 CO 0.58 0.23 -0.73 -1.58 -0.21 0.00 0.00 178.00 176.29 1joa s TRP 432 N -5.42 3.13 0.40 0.65 0.52 -1.26 -4.85 118.94 112.12 1joa s TRP 432 Ca -0.08 -1.68 -0.07 0.00 0.02 0.00 0.00 56.10 54.29 1joa s TRP 432 Cb 0.24 -2.07 0.10 0.00 -1.15 0.00 0.00 33.47 30.59 1joa s TRP 432 CO 0.79 -0.76 0.36 0.27 0.02 0.00 0.00 176.95 177.64 1joa n ASN 433 N 4.65 -1.31 -0.23 2.95 6.94 -1.23 -4.42 115.26 122.61 1joa n ASN 433 Ca -0.15 -0.73 -0.00 0.00 -0.02 0.00 0.00 54.58 53.67 1joa n ASN 433 Cb 0.46 -0.33 0.07 0.00 -2.36 0.00 0.00 39.78 37.62 1joa n ASN 433 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 1joa h ILE 434 N -1.88 0.30 0.04 1.53 2.10 -1.92 -0.17 117.51 117.50 1joa h ILE 434 Ca -0.13 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.80 1joa h ILE 434 Cb 0.41 0.30 0.00 0.00 -1.09 0.00 0.00 36.82 36.44 1joa h ILE 434 CO 0.09 0.00 -0.02 0.40 -1.08 0.00 0.00 178.15 177.54 1joa h ILE 435 N -0.02 1.28 -0.93 2.19 2.04 -1.95 -2.63 117.51 117.49 1joa h ILE 435 Ca 0.32 -1.07 0.03 0.00 1.00 0.00 0.00 64.86 65.15 1joa h ILE 435 Cb 0.51 1.98 -0.05 0.00 -0.74 0.00 0.00 36.82 38.52 1joa h ILE 435 CO -0.71 0.27 0.60 0.78 0.00 0.00 0.00 178.15 179.10 1joa h ASN 436 N -0.53 1.01 -0.08 1.72 -0.26 -1.69 -1.43 115.58 114.32 1joa h ASN 436 Ca -0.01 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.72 1joa h ASN 436 Cb 0.48 -0.23 -0.00 0.00 -1.06 0.00 0.00 38.32 37.51 1joa h ASN 436 CO 0.01 0.69 0.03 0.74 -1.06 0.00 0.00 177.43 177.84 1joa h THR 437 N 1.17 1.17 -0.58 2.81 2.02 -0.88 0.21 112.91 118.83 1joa h THR 437 Ca 0.37 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 67.06 1joa h THR 437 Cb -0.01 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 1joa h THR 437 CO -0.12 0.14 0.38 0.00 0.37 0.00 0.00 175.52 176.29 1joa h ALA 438 N 0.84 0.73 -0.62 6.16 0.00 -1.20 -0.80 119.26 124.37 1joa h ALA 438 Ca 0.03 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1joa h ALA 438 Cb 0.20 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1joa h ALA 438 CO -0.00 0.15 0.07 0.00 0.00 0.00 0.00 179.25 179.46 1joa h ALA 439 N 1.22 0.94 -0.66 0.00 0.00 -0.99 0.68 119.26 120.45 1joa h ALA 439 Ca 0.21 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1joa h ALA 439 Cb -0.07 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 1joa h ALA 439 CO -0.06 0.65 0.44 -0.07 0.00 0.00 0.00 179.25 180.21 1joa h LEU 440 N 0.97 0.70 -0.25 0.00 4.07 -0.06 0.72 115.31 121.46 1joa h LEU 440 Ca 0.19 -0.01 -0.19 0.00 0.08 0.00 0.00 57.88 57.94 1joa h LEU 440 Cb 0.47 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.05 1joa h LEU 440 CO 0.02 0.49 -0.59 -0.08 -1.08 0.00 0.00 178.44 177.19 1joa h GLU 441 N 0.82 0.85 -0.70 1.13 4.57 0.41 -1.52 114.58 120.13 1joa h GLU 441 Ca 0.26 -0.58 -0.03 0.00 -1.18 0.00 0.00 59.36 57.83 1joa h GLU 441 Cb 0.02 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 1joa h GLU 441 CO -0.07 1.20 0.30 0.00 -1.18 0.00 0.00 179.01 179.27 1joa h ALA 442 N 0.64 0.91 -0.12 2.92 0.00 0.53 0.14 119.26 124.28 1joa h ALA 442 Ca -0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1joa h ALA 442 Cb 1.21 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1joa h ALA 442 CO 0.13 0.51 0.07 0.28 0.00 0.00 0.00 179.25 180.24 1joa h VAL 443 N 1.00 1.05 -0.96 0.00 2.07 -0.73 0.20 116.25 118.87 1joa h VAL 443 Ca 0.24 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.63 1joa h VAL 443 Cb 0.17 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 1joa h VAL 443 CO -0.02 0.05 0.63 0.50 0.02 0.00 0.00 177.57 178.75 1joa h LYS 444 N 0.13 1.27 0.00 1.57 3.64 -0.89 0.08 116.57 122.38 1joa h LYS 444 Ca 0.04 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 1joa h LYS 444 Cb 0.02 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 1joa h LYS 444 CO -0.01 0.85 -0.23 0.37 -2.27 0.00 0.00 179.45 178.16 1joa h GLN 445 N 1.31 0.00 -0.76 1.90 4.15 0.66 -2.56 115.11 119.80 1joa h GLN 445 Ca 0.35 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.57 1joa h GLN 445 Cb -0.14 0.00 -0.12 0.00 0.21 0.00 0.00 27.48 27.43 1joa h GLN 445 CO -0.07 0.23 0.26 0.39 -1.93 0.00 0.00 178.83 177.70 1joa n GLU 446 N -4.21 3.72 0.00 1.69 -0.58 0.56 -5.07 120.64 116.75 1joa n GLU 446 Ca -0.02 -2.97 0.15 0.00 -0.42 0.00 0.00 57.16 53.90 1joa n GLU 446 Cb 0.29 -2.20 0.73 0.00 -0.57 0.00 0.00 31.44 29.69 1joa n GLU 446 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19