#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qiq s GLY 2 N 0.00 2.75 -0.18 0.00 0.00 -1.26 -4.94 107.32 103.68 2qiq s GLY 2 Ca 0.00 0.39 -0.04 0.00 0.00 0.00 0.00 44.72 45.06 2qiq s GLY 2 CO 0.00 0.81 0.17 -0.12 0.00 0.00 0.00 173.10 173.95 2qiq s PHE 3 N -1.55 -0.09 0.16 1.90 5.36 -1.26 -5.15 117.98 117.35 2qiq s PHE 3 Ca 0.47 0.05 0.09 0.00 -0.96 0.00 0.00 56.93 56.58 2qiq s PHE 3 Cb -0.18 -0.48 -0.04 0.00 -0.34 0.00 0.00 43.02 41.98 2qiq s PHE 3 CO 0.23 -0.54 -0.13 1.03 -1.46 0.00 0.00 175.22 174.35 2qiq s ARG 4 N 2.25 1.94 -0.48 10.12 1.81 -1.26 -4.97 118.95 128.36 2qiq s ARG 4 Ca 0.05 -1.27 -0.27 0.00 -1.72 0.00 0.00 55.73 52.52 2qiq s ARG 4 Cb -0.16 -2.12 -0.02 0.00 -0.45 0.00 0.00 34.95 32.20 2qiq s ARG 4 CO -0.10 0.44 1.88 0.15 -0.68 0.00 0.00 175.30 176.99 2qiq s LYS 5 N -2.62 2.87 -0.11 3.54 1.02 -1.26 -4.99 119.74 118.20 2qiq s LYS 5 Ca 0.23 1.02 -0.14 0.00 0.02 0.00 0.00 55.97 57.10 2qiq s LYS 5 Cb -0.09 -4.33 -0.05 0.00 -0.52 0.00 0.00 37.83 32.84 2qiq s LYS 5 CO 0.13 -2.42 0.32 1.41 -0.92 0.00 0.00 175.35 173.88 2qiq s MET 6 N 6.57 4.06 0.13 1.68 1.75 -1.26 -4.78 119.30 127.46 2qiq s MET 6 Ca 0.75 0.19 -0.06 0.00 -1.25 0.00 0.00 55.69 55.32 2qiq s MET 6 Cb -0.17 -3.34 -0.06 0.00 2.84 0.00 0.00 34.83 34.11 2qiq s MET 6 CO 0.26 0.43 0.39 0.00 -0.65 0.00 0.00 175.02 175.45 2qiq s ALA 7 N -0.14 3.77 0.57 4.11 0.00 -1.26 -4.76 121.76 124.04 2qiq s ALA 7 Ca 0.19 -0.51 -0.20 0.00 0.00 0.00 0.00 51.96 51.44 2qiq s ALA 7 Cb -0.14 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 2qiq s ALA 7 CO 0.07 0.64 1.27 -0.06 0.00 0.00 0.00 175.76 177.69 2qiq s PHE 8 N -1.61 2.35 0.26 0.00 0.08 -1.26 -4.95 117.98 112.85 2qiq s PHE 8 Ca 0.40 1.46 -0.30 0.00 0.12 0.00 0.00 56.93 58.61 2qiq s PHE 8 Cb -0.12 -3.62 -0.11 0.00 -0.57 0.00 0.00 43.02 38.60 2qiq s PHE 8 CO 0.23 -2.51 1.52 -2.14 -0.10 0.00 0.00 175.22 172.22 2qiq s PRO 9 N -3.11 4.20 0.00 0.24 0.02 -1.26 -4.91 135.00 130.19 2qiq s PRO 9 Ca 0.75 2.43 0.27 0.00 0.02 0.00 0.00 61.00 64.46 2qiq s PRO 9 Cb -0.35 -3.08 0.78 0.00 0.02 0.00 0.00 34.50 31.87 2qiq s PRO 9 CO 0.40 -0.53 1.58 -1.13 -0.33 0.00 0.00 177.00 176.99 2qiq n SER 10 N 2.46 1.63 -0.18 2.53 3.41 -1.26 -4.59 113.62 117.61 2qiq n SER 10 Ca 0.08 -1.41 -0.03 0.00 -0.26 0.00 0.00 58.87 57.25 2qiq n SER 10 Cb 0.39 0.07 0.03 0.00 -0.26 0.00 0.00 64.21 64.44 2qiq n SER 10 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2qiq h GLY 11 N 4.85 0.18 2.00 5.00 0.00 -2.00 -0.22 103.07 112.89 2qiq h GLY 11 Ca 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 2qiq h GLY 11 CO 0.00 -0.22 -0.05 0.50 0.00 0.00 0.00 176.54 176.76 2qiq h LYS 12 N -0.09 0.00 0.08 4.80 1.57 -1.96 -2.52 116.57 118.45 2qiq h LYS 12 Ca 0.25 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.68 2qiq h LYS 12 Cb 0.49 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 2qiq h LYS 12 CO -0.61 0.05 -2.02 0.28 -0.57 0.00 0.00 179.45 176.58 2qiq n VAL 13 N -3.82 1.70 -0.27 0.50 0.31 -0.64 -4.17 118.33 111.94 2qiq n VAL 13 Ca -0.03 -0.68 0.07 0.00 -0.01 0.00 0.00 64.34 63.69 2qiq n VAL 13 Cb 0.15 -1.50 0.21 0.00 -0.91 0.00 0.00 33.84 31.78 2qiq n VAL 13 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2qiq h GLU 14 N 0.05 0.41 0.00 5.55 5.08 -0.65 -0.70 114.58 124.32 2qiq h GLU 14 Ca -0.42 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2qiq h GLU 14 Cb 2.02 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.18 2qiq h GLU 14 CO 0.06 0.27 0.00 0.41 -1.00 0.00 0.00 179.01 178.75 2qiq n GLY 15 N -1.33 -0.56 0.42 -3.84 0.00 -1.07 -2.14 105.19 96.67 2qiq n GLY 15 Ca 0.16 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.21 2qiq n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qiq s MET 17 N -1.02 4.45 0.20 0.00 -1.94 -0.91 -0.04 119.30 120.04 2qiq s MET 17 Ca 0.13 0.97 0.00 0.00 -1.71 0.00 0.00 55.69 55.08 2qiq s MET 17 Cb 0.09 -3.40 -0.04 0.00 2.01 0.00 0.00 34.83 33.49 2qiq s MET 17 CO 0.16 0.19 0.08 0.14 -0.01 0.00 0.00 175.02 175.58 2qiq s VAL 18 N 0.33 0.29 -0.13 -6.03 -7.23 -0.57 -4.74 120.40 102.32 2qiq s VAL 18 Ca 0.38 -1.98 -0.06 0.00 -1.81 0.00 0.00 61.98 58.52 2qiq s VAL 18 Cb -0.19 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 2qiq s VAL 18 CO 0.21 -0.19 0.07 -1.58 -0.31 0.00 0.00 175.10 173.30 2qiq s GLN 19 N -4.06 3.47 -0.08 4.82 0.74 -0.86 0.31 119.66 124.00 2qiq s GLN 19 Ca 0.33 -0.28 0.02 0.00 0.05 0.00 0.00 55.36 55.48 2qiq s GLN 19 Cb 0.07 -3.08 0.01 0.00 1.10 0.00 0.00 33.01 31.12 2qiq s GLN 19 CO 0.09 0.60 -0.13 0.08 -0.55 0.00 0.00 175.29 175.37 2qiq s VAL 20 N -0.55 1.25 0.00 1.34 1.01 0.54 -1.87 120.40 122.13 2qiq s VAL 20 Ca 0.11 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.62 2qiq s VAL 20 Cb -0.12 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 2qiq s VAL 20 CO 0.02 0.39 -0.17 -0.89 0.00 0.00 0.00 175.10 174.45 2qiq s THR 21 N 0.82 1.35 -0.25 3.92 2.01 -0.33 -0.88 115.64 122.27 2qiq s THR 21 Ca -0.11 -0.82 -0.02 0.00 0.31 0.00 0.00 61.69 61.05 2qiq s THR 21 Cb -0.15 -1.14 0.14 0.00 0.01 0.00 0.00 72.50 71.36 2qiq s THR 21 CO 0.02 0.31 0.42 0.00 -0.69 0.00 0.00 174.62 174.67 2qiq n GLY 23 N 5.37 2.22 1.40 0.00 0.00 -1.26 -2.31 105.19 110.61 2qiq n GLY 23 Ca -0.03 -0.35 0.08 0.00 0.00 0.00 0.00 46.02 45.72 2qiq n GLY 23 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qiq n THR 24 N 0.00 1.99 -3.75 2.61 -2.24 -1.26 -4.88 114.28 106.75 2qiq n THR 24 Ca 0.00 -1.35 -0.37 0.00 -2.27 0.00 0.00 64.05 60.06 2qiq n THR 24 Cb 0.00 0.03 -0.12 0.00 -2.10 0.00 0.00 70.33 68.13 2qiq n THR 24 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2qiq s THR 25 N -2.10 4.17 -0.01 4.28 2.01 -0.98 -5.09 115.64 117.92 2qiq s THR 25 Ca 0.47 -0.45 0.05 0.00 0.31 0.00 0.00 61.69 62.07 2qiq s THR 25 Cb 0.32 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.74 2qiq s THR 25 CO 0.19 0.19 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.27 2qiq s THR 26 N 1.56 3.03 0.24 -0.82 2.01 -1.26 -1.57 115.64 118.83 2qiq s THR 26 Ca 0.04 -0.89 -0.06 0.00 0.31 0.00 0.00 61.69 61.09 2qiq s THR 26 Cb -0.16 -2.23 0.02 0.00 0.01 0.00 0.00 72.50 70.14 2qiq s THR 26 CO 0.03 0.48 0.43 0.00 -0.69 0.00 0.00 174.62 174.87 2qiq n LEU 27 N 1.96 0.00 -4.89 4.42 -0.00 -0.06 -4.90 117.00 113.53 2qiq n LEU 27 Ca -0.16 -1.72 -0.31 0.00 -0.00 0.00 0.00 56.01 53.81 2qiq n LEU 27 Cb 0.52 2.12 -0.05 0.00 -0.00 0.00 0.00 43.42 46.02 2qiq n LEU 27 CO 0.27 -0.50 0.18 0.20 -0.00 0.00 0.00 177.39 177.54 2qiq s ASN 28 N -2.35 6.54 0.16 1.45 0.01 -0.58 -0.34 114.94 119.84 2qiq s ASN 28 Ca 0.14 0.80 0.01 0.00 -0.71 0.00 0.00 52.86 53.10 2qiq s ASN 28 Cb -0.02 -2.18 -0.04 0.00 0.41 0.00 0.00 41.25 39.42 2qiq s ASN 28 CO 0.10 -0.09 0.02 -0.83 -1.51 0.00 0.00 177.10 174.79 2qiq s GLY 29 N -2.63 1.17 -0.22 0.66 0.00 0.15 -4.21 107.32 102.24 2qiq s GLY 29 Ca 0.45 -1.57 -0.05 0.00 0.00 0.00 0.00 44.72 43.56 2qiq s GLY 29 CO 0.25 -1.49 -0.01 -2.27 0.00 0.00 0.00 173.10 169.58 2qiq s LEU 30 N -3.14 3.10 -0.48 0.66 2.96 0.31 -1.52 118.68 120.56 2qiq s LEU 30 Ca 0.24 -0.31 -0.11 0.00 -0.22 0.00 0.00 54.13 53.73 2qiq s LEU 30 Cb 0.07 -1.80 0.12 0.00 0.50 0.00 0.00 46.19 45.07 2qiq s LEU 30 CO 0.04 -0.01 0.37 0.86 -1.32 0.00 0.00 176.35 176.29 2qiq s TRP 31 N 1.43 3.38 -0.14 5.38 -0.00 0.95 -0.67 118.94 129.25 2qiq s TRP 31 Ca 0.05 -1.70 0.02 0.00 -0.00 0.00 0.00 56.10 54.47 2qiq s TRP 31 Cb -0.15 -3.52 0.01 0.00 -0.00 0.00 0.00 33.47 29.81 2qiq s TRP 31 CO -0.00 -0.99 -0.21 -0.51 -0.00 0.00 0.00 176.95 175.24 2qiq s LEU 32 N 1.43 2.17 0.00 5.86 1.43 -0.54 -4.65 118.68 124.37 2qiq s LEU 32 Ca 0.05 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 2qiq s LEU 32 Cb -0.27 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 44.49 2qiq s LEU 32 CO 0.00 0.08 0.00 0.47 0.23 0.00 0.00 176.35 177.13 2qiq n ASP 33 N 4.09 0.00 -1.58 2.29 8.00 -1.26 -1.61 116.55 126.47 2qiq n ASP 33 Ca -0.20 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.19 2qiq n ASP 33 Cb 0.51 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.81 2qiq n ASP 33 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2qiq n ASP 34 N 5.12 3.03 -4.20 -2.24 3.85 -1.26 0.57 116.55 121.41 2qiq n ASP 34 Ca 0.00 -3.69 -0.25 0.00 -0.71 0.00 0.00 54.79 50.13 2qiq n ASP 34 Cb 0.00 -0.71 -0.15 0.00 -1.35 0.00 0.00 41.12 38.91 2qiq n ASP 34 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2qiq s THR 35 N -3.26 1.50 -0.15 2.12 2.01 -0.63 -1.75 115.64 115.48 2qiq s THR 35 Ca 0.50 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.58 2qiq s THR 35 Cb 0.43 -1.27 0.01 0.00 0.01 0.00 0.00 72.50 71.68 2qiq s THR 35 CO 0.04 0.32 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.39 2qiq s VAL 36 N -0.58 2.11 -0.09 3.82 1.01 0.13 -1.46 120.40 125.34 2qiq s VAL 36 Ca 0.07 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 2qiq s VAL 36 Cb -0.08 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 2qiq s VAL 36 CO 0.00 0.55 0.09 -0.31 0.00 0.00 0.00 175.10 175.43 2qiq s TYR 37 N 0.88 3.43 0.17 5.22 2.02 0.15 -0.77 117.35 128.46 2qiq s TYR 37 Ca -0.05 0.39 -0.23 0.00 -0.37 0.00 0.00 57.07 56.80 2qiq s TYR 37 Cb -0.15 -1.87 0.06 0.00 -0.40 0.00 0.00 41.96 39.60 2qiq s TYR 37 CO -0.03 0.63 0.68 0.00 -1.57 0.00 0.00 175.55 175.26 2qiq n PRO 39 N -0.39 2.55 0.28 0.00 -0.02 -1.26 -0.19 135.00 135.97 2qiq n PRO 39 Ca -0.12 0.91 0.15 0.00 -2.02 0.00 0.00 63.50 62.42 2qiq n PRO 39 Cb 0.63 -2.69 0.82 0.00 -0.02 0.00 0.00 33.50 32.25 2qiq n PRO 39 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 2qiq h ARG 40 N 5.21 0.00 0.00 -0.52 0.11 -1.53 -2.66 114.38 114.99 2qiq h ARG 40 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 2qiq h ARG 40 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 2qiq h ARG 40 CO 0.83 0.07 0.00 -2.39 0.10 0.00 0.00 179.97 178.58 2qiq n HIS 41 N -3.54 0.00 0.04 4.08 1.44 -1.26 -1.90 115.22 114.08 2qiq n HIS 41 Ca -0.02 0.00 0.18 0.00 -2.01 0.00 0.00 57.72 55.88 2qiq n HIS 41 Cb 0.20 0.00 0.69 0.00 0.12 0.00 0.00 29.99 30.99 2qiq n HIS 41 CO 0.00 0.00 0.00 -0.39 -2.81 0.00 0.00 176.34 173.14 2qiq h VAL 42 N 0.00 0.77 -0.00 0.61 -1.51 -1.86 -2.63 116.25 111.63 2qiq h VAL 42 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2qiq h VAL 42 Cb 0.00 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 29.93 2qiq h VAL 42 CO 0.00 0.00 -0.16 2.30 -1.23 0.00 0.00 177.57 178.48 2qiq n ILE 43 N -4.39 0.00 -1.86 7.19 -5.35 -0.80 -4.57 119.36 109.59 2qiq n ILE 43 Ca 0.08 -0.03 -0.31 0.00 -0.27 0.00 0.00 62.75 62.22 2qiq n ILE 43 Cb 0.53 -0.14 0.01 0.00 -1.74 0.00 0.00 39.64 38.30 2qiq n ILE 43 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2qiq s THR 45 N -3.08 0.78 0.00 0.00 -4.23 -1.26 -4.88 115.64 102.97 2qiq s THR 45 Ca 0.56 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 2qiq s THR 45 Cb -0.12 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.48 2qiq s THR 45 CO 0.52 -0.37 0.00 0.00 -0.54 0.00 0.00 174.62 174.22 2qiq n ALA 46 N -0.32 0.00 -0.03 3.99 0.00 -1.26 -2.18 120.51 120.71 2qiq n ALA 46 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.23 2qiq n ALA 46 Cb 0.64 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.96 2qiq n ALA 46 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2qiq h GLU 47 N 0.00 0.11 -1.26 0.00 4.39 -2.04 -3.34 114.58 112.44 2qiq h GLU 47 Ca 0.00 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.55 2qiq h GLU 47 Cb 0.00 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2qiq h GLU 47 CO 0.00 0.99 0.00 -0.40 -1.16 0.00 0.00 179.01 178.44 2qiq n ASP 48 N -4.50 1.90 0.04 1.42 5.68 -0.93 -3.67 116.55 116.50 2qiq n ASP 48 Ca -0.10 -1.36 -0.16 0.00 -0.50 0.00 0.00 54.79 52.66 2qiq n ASP 48 Cb 0.54 -0.34 -0.14 0.00 -1.14 0.00 0.00 41.12 40.04 2qiq n ASP 48 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 2qiq h MET 49 N 0.61 0.22 0.00 0.11 2.86 -1.68 -3.10 114.93 113.95 2qiq h MET 49 Ca 0.00 -0.37 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 2qiq h MET 49 Cb 0.65 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.45 2qiq h MET 49 CO 0.00 1.05 -0.02 1.37 1.06 0.00 0.00 176.91 180.37 2qiq h LEU 50 N 0.06 0.00 -5.08 1.22 -0.00 -1.82 -2.27 115.31 107.42 2qiq h LEU 50 Ca -0.27 -0.00 -0.25 0.00 -0.00 0.00 0.00 57.88 57.35 2qiq h LEU 50 Cb 2.02 0.00 -0.27 0.00 -0.00 0.00 0.00 40.66 42.41 2qiq h LEU 50 CO 0.14 0.00 -0.71 -3.20 -0.00 0.00 0.00 178.44 174.67 2qiq n ASN 51 N -2.46 -0.24 -4.74 0.17 5.15 -1.26 -4.58 115.26 107.31 2qiq n ASN 51 Ca 0.05 -2.39 -0.41 0.00 -0.60 0.00 0.00 54.58 51.23 2qiq n ASN 51 Cb 0.45 0.24 -0.04 0.00 -0.53 0.00 0.00 39.78 39.91 2qiq n ASN 51 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2qiq s PRO 52 N -1.49 4.56 -0.51 1.20 0.04 -1.17 -4.99 135.00 132.65 2qiq s PRO 52 Ca 0.21 1.74 -0.17 0.00 0.04 0.00 0.00 61.00 62.82 2qiq s PRO 52 Cb 0.41 -3.28 0.08 0.00 0.04 0.00 0.00 34.50 31.75 2qiq s PRO 52 CO -0.05 0.02 0.53 1.21 0.04 0.00 0.00 177.00 178.74 2qiq s ASN 53 N 0.05 6.18 0.33 6.66 3.84 -1.26 -4.94 114.94 125.80 2qiq s ASN 53 Ca 0.51 -1.26 0.14 0.00 0.21 0.00 0.00 52.86 52.46 2qiq s ASN 53 Cb -0.30 -2.24 0.55 0.00 -0.55 0.00 0.00 41.25 38.72 2qiq s ASN 53 CO 0.35 -0.82 1.70 1.88 -2.79 0.00 0.00 177.10 177.41 2qiq h TYR 54 N 8.91 0.00 -0.19 0.43 -1.99 -1.97 0.16 116.97 122.32 2qiq h TYR 54 Ca -0.28 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.41 2qiq h TYR 54 Cb 1.10 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.82 2qiq h TYR 54 CO 0.71 0.48 -0.03 1.49 -0.00 0.00 0.00 178.16 180.82 2qiq h GLU 55 N 0.00 0.36 -0.25 4.88 4.81 -1.99 0.32 114.58 122.71 2qiq h GLU 55 Ca -0.00 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.05 2qiq h GLU 55 Cb 0.94 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 2qiq h GLU 55 CO 0.06 0.60 -0.03 0.22 -0.73 0.00 0.00 179.01 179.13 2qiq h ASP 56 N 0.09 0.47 -0.25 1.04 3.58 -1.91 -2.34 116.42 117.10 2qiq h ASP 56 Ca 0.05 -0.34 -0.04 0.00 0.42 0.00 0.00 57.03 57.11 2qiq h ASP 56 Cb 0.46 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.36 2qiq h ASP 56 CO 0.02 0.70 0.02 -0.07 -2.88 0.00 0.00 179.24 177.03 2qiq h LEU 57 N 0.23 0.49 0.17 2.28 3.38 -0.68 -3.22 115.31 117.96 2qiq h LEU 57 Ca 0.07 -0.09 -0.31 0.00 0.09 0.00 0.00 57.88 57.65 2qiq h LEU 57 Cb 0.48 -0.13 0.02 0.00 0.09 0.00 0.00 40.66 41.13 2qiq h LEU 57 CO 0.02 0.55 -1.34 0.25 0.09 0.00 0.00 178.44 178.00 2qiq h LEU 58 N 0.51 0.70 -2.01 1.67 5.85 -0.77 -3.29 115.31 117.96 2qiq h LEU 58 Ca 0.11 -0.72 0.15 0.00 0.84 0.00 0.00 57.88 58.27 2qiq h LEU 58 Cb 0.30 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2qiq h LEU 58 CO 0.01 1.56 0.41 -0.29 -0.34 0.00 0.00 178.44 179.79 2qiq h ILE 59 N 0.14 0.62 0.00 4.05 6.09 -1.43 -1.03 117.51 125.95 2qiq h ILE 59 Ca -0.20 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.29 2qiq h ILE 59 Cb 2.04 0.70 0.00 0.00 0.47 0.00 0.00 36.82 40.03 2qiq h ILE 59 CO 0.24 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.86 2qiq n ARG 60 N -4.19 0.97 -4.17 2.19 1.74 -1.24 -4.86 116.66 107.10 2qiq n ARG 60 Ca 0.10 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.89 2qiq n ARG 60 Cb 0.63 -1.41 -0.08 0.00 -1.02 0.00 0.00 32.46 30.58 2qiq n ARG 60 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2qiq s LYS 61 N -2.00 2.42 0.45 5.56 -0.14 -0.39 -5.10 119.74 120.53 2qiq s LYS 61 Ca 0.38 -0.96 0.05 0.00 -1.36 0.00 0.00 55.97 54.08 2qiq s LYS 61 Cb 0.18 -2.43 -0.05 0.00 -1.68 0.00 0.00 37.83 33.84 2qiq s LYS 61 CO 0.30 0.50 0.05 -1.54 -0.76 0.00 0.00 175.35 173.90 2qiq s SER 62 N -2.51 4.07 0.60 2.83 1.04 -1.26 -4.98 113.70 113.49 2qiq s SER 62 Ca 0.25 -1.41 0.29 0.00 0.48 0.00 0.00 55.95 55.56 2qiq s SER 62 Cb -0.11 -0.10 1.48 0.00 0.10 0.00 0.00 66.02 67.39 2qiq s SER 62 CO 0.18 -0.61 1.89 0.78 0.98 0.00 0.00 173.24 176.45 2qiq h ASN 63 N 1.55 0.00 -0.18 7.02 2.35 -1.95 0.36 115.58 124.74 2qiq h ASN 63 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 2qiq h ASN 63 Cb 1.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.64 2qiq h ASN 63 CO 0.76 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 176.54 2qiq n HIS 64 N -3.57 0.21 0.28 1.19 1.44 -1.26 -3.60 115.22 109.90 2qiq n HIS 64 Ca 0.07 -0.10 0.17 0.00 -2.01 0.00 0.00 57.72 55.84 2qiq n HIS 64 Cb 0.63 0.00 0.75 0.00 0.12 0.00 0.00 29.99 31.49 2qiq n HIS 64 CO 0.00 0.00 0.00 0.77 -2.81 0.00 0.00 176.34 174.30 2qiq h SER 65 N 4.29 0.00 -3.46 4.39 0.02 -0.64 -3.43 113.55 114.71 2qiq h SER 65 Ca 0.00 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.30 2qiq h SER 65 Cb 0.92 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.21 2qiq h SER 65 CO 0.00 0.05 -0.69 -0.36 -1.14 0.00 0.00 176.83 174.69 2qiq s PHE 66 N -3.82 3.00 -0.25 3.45 0.08 -1.24 -4.46 117.98 114.74 2qiq s PHE 66 Ca -0.01 -0.69 -0.08 0.00 0.12 0.00 0.00 56.93 56.28 2qiq s PHE 66 Cb 0.10 -2.12 -0.03 0.00 -0.57 0.00 0.00 43.02 40.40 2qiq s PHE 66 CO 0.54 -0.42 0.09 -1.17 -0.10 0.00 0.00 175.22 174.16 2qiq s LEU 67 N 1.35 3.56 -0.13 -0.37 2.96 -0.60 -4.63 118.68 120.81 2qiq s LEU 67 Ca 0.04 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 2qiq s LEU 67 Cb -0.15 -1.96 0.02 0.00 0.50 0.00 0.00 46.19 44.61 2qiq s LEU 67 CO -0.00 -0.02 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.18 2qiq s VAL 68 N 1.55 1.47 -0.18 1.68 1.01 -1.26 -1.19 120.40 123.49 2qiq s VAL 68 Ca 0.06 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.47 2qiq s VAL 68 Cb -0.15 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.86 2qiq s VAL 68 CO 0.05 0.44 -0.19 -1.10 0.00 0.00 0.00 175.10 174.30 2qiq s GLN 69 N 1.41 3.03 -0.41 2.72 -0.21 -0.78 0.07 119.66 125.49 2qiq s GLN 69 Ca 0.02 -0.81 -0.11 0.00 0.02 0.00 0.00 55.36 54.48 2qiq s GLN 69 Cb -0.13 -2.60 0.06 0.00 1.00 0.00 0.00 33.01 31.34 2qiq s GLN 69 CO -0.08 -0.19 0.26 0.00 -2.12 0.00 0.00 175.29 173.16 2qiq s ALA 70 N 1.25 3.32 0.00 6.09 0.00 0.03 -2.02 121.76 130.44 2qiq s ALA 70 Ca 0.04 -2.01 0.00 0.00 0.00 0.00 0.00 51.96 49.99 2qiq s ALA 70 Cb -0.13 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.29 2qiq s ALA 70 CO -0.11 -1.58 0.00 0.41 0.00 0.00 0.00 175.76 174.48 2qiq n GLY 71 N 4.99 1.81 0.01 0.00 0.00 -1.26 -2.25 105.19 108.49 2qiq n GLY 71 Ca -0.11 -0.44 0.10 0.00 0.00 0.00 0.00 46.02 45.58 2qiq n GLY 71 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qiq n ASN 72 N 7.06 0.46 -4.72 1.61 2.04 -1.26 -4.97 115.26 115.47 2qiq n ASN 72 Ca 0.00 -0.39 -0.42 0.00 -0.44 0.00 0.00 54.58 53.32 2qiq n ASN 72 Cb 0.00 1.59 -0.01 0.00 -2.53 0.00 0.00 39.78 38.83 2qiq n ASN 72 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34 2qiq n VAL 73 N -1.94 1.63 -3.73 3.53 0.31 -0.95 -5.01 118.33 112.17 2qiq n VAL 73 Ca -0.01 -0.41 -0.34 0.00 -0.01 0.00 0.00 64.34 63.58 2qiq n VAL 73 Cb 0.46 -1.71 -0.05 0.00 -0.91 0.00 0.00 33.84 31.64 2qiq n VAL 73 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2qiq s GLN 74 N -1.41 3.60 -0.02 5.55 2.00 -1.26 -0.79 119.66 127.34 2qiq s GLN 74 Ca 0.59 -0.08 0.08 0.00 -2.00 0.00 0.00 55.36 53.95 2qiq s GLN 74 Cb -0.55 -3.01 -0.02 0.00 0.80 0.00 0.00 33.01 30.23 2qiq s GLN 74 CO 0.58 0.59 -0.26 -0.51 -0.50 0.00 0.00 175.29 175.19 2qiq s LEU 75 N -2.06 2.05 -0.22 3.68 1.43 0.11 -4.89 118.68 118.79 2qiq s LEU 75 Ca 0.32 -0.46 -0.20 0.00 -1.03 0.00 0.00 54.13 52.76 2qiq s LEU 75 Cb -0.13 -1.31 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 2qiq s LEU 75 CO 0.19 0.31 0.60 -0.60 0.23 0.00 0.00 176.35 177.08 2qiq s ARG 76 N -0.62 4.16 -0.11 1.70 3.52 -1.26 -4.09 118.95 122.25 2qiq s ARG 76 Ca 0.10 0.53 -0.30 0.00 -0.13 0.00 0.00 55.73 55.93 2qiq s ARG 76 Cb -0.10 -3.60 -0.02 0.00 -1.56 0.00 0.00 34.95 29.67 2qiq s ARG 76 CO -0.01 -0.28 1.20 0.08 -0.81 0.00 0.00 175.30 175.48 2qiq s VAL 77 N 2.07 4.33 -0.23 7.11 1.01 -1.26 -1.37 120.40 132.06 2qiq s VAL 77 Ca 0.26 1.63 0.12 0.00 0.00 0.00 0.00 61.98 63.99 2qiq s VAL 77 Cb -0.16 -4.05 0.45 0.00 0.00 0.00 0.00 36.38 32.62 2qiq s VAL 77 CO 0.09 -0.06 1.19 2.30 0.00 0.00 0.00 175.10 178.62 2qiq n ILE 78 N 4.93 2.04 0.00 2.22 -5.35 0.14 -4.66 119.36 118.68 2qiq n ILE 78 Ca 0.12 -3.43 0.00 0.00 -0.27 0.00 0.00 62.75 59.17 2qiq n ILE 78 Cb 0.46 -0.34 0.00 0.00 -1.74 0.00 0.00 39.64 38.02 2qiq n ILE 78 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qiq n GLY 79 N -0.73 4.40 3.56 3.28 0.00 -1.24 -4.90 105.19 109.56 2qiq n GLY 79 Ca 0.27 -1.28 -0.14 0.00 0.00 0.00 0.00 46.02 44.87 2qiq n GLY 79 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2qiq s HIS 80 N -2.00 -0.57 0.20 1.61 -3.43 -1.26 -0.74 115.29 109.10 2qiq s HIS 80 Ca 0.00 1.10 -0.10 0.00 -0.80 0.00 0.00 55.06 55.25 2qiq s HIS 80 Cb 0.00 0.40 -0.01 0.00 -1.43 0.00 0.00 32.58 31.54 2qiq s HIS 80 CO 0.00 -0.46 0.36 -1.54 -2.00 0.00 0.00 174.74 171.10 2qiq s SER 81 N -0.80 -0.02 -0.17 7.38 1.04 -0.41 -5.01 113.70 115.71 2qiq s SER 81 Ca -0.05 -0.92 -0.03 0.00 0.48 0.00 0.00 55.95 55.43 2qiq s SER 81 Cb -0.01 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.58 2qiq s SER 81 CO 0.05 -0.99 -0.05 -0.32 0.98 0.00 0.00 173.24 172.91 2qiq s MET 82 N -4.00 3.55 -0.24 4.02 1.75 -1.26 0.15 119.30 123.26 2qiq s MET 82 Ca 0.21 -0.57 0.02 0.00 -1.25 0.00 0.00 55.69 54.10 2qiq s MET 82 Cb 0.02 -2.92 0.05 0.00 2.84 0.00 0.00 34.83 34.82 2qiq s MET 82 CO 0.04 0.09 -0.12 -1.14 -0.65 0.00 0.00 175.02 173.24 2qiq s GLN 83 N 0.74 2.42 2.76 4.11 0.74 0.71 -4.96 119.66 126.18 2qiq s GLN 83 Ca -0.02 -1.23 0.00 0.00 0.05 0.00 0.00 55.36 54.16 2qiq s GLN 83 Cb -0.15 -2.83 0.00 0.00 1.10 0.00 0.00 33.01 31.13 2qiq s GLN 83 CO 0.02 -0.49 0.00 0.09 -0.55 0.00 0.00 175.29 174.36 2qiq n ASN 84 N 4.48 0.00 -0.64 6.67 3.02 -1.26 -0.78 115.26 126.75 2qiq n ASN 84 Ca -0.16 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.46 2qiq n ASN 84 Cb 0.44 0.00 0.21 0.00 -0.61 0.00 0.00 39.78 39.82 2qiq n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qiq s LEU 86 N -1.14 3.35 0.01 0.00 1.43 0.04 -1.44 118.68 120.92 2qiq s LEU 86 Ca 0.26 -0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 52.99 2qiq s LEU 86 Cb 0.14 -2.09 -0.06 0.00 0.03 0.00 0.00 46.19 44.21 2qiq s LEU 86 CO 0.19 0.18 0.40 -0.76 0.23 0.00 0.00 176.35 176.59 2qiq s LEU 87 N -2.26 4.46 -0.34 1.79 1.02 0.73 -0.21 118.68 123.87 2qiq s LEU 87 Ca 0.24 0.94 0.01 0.00 0.02 0.00 0.00 54.13 55.34 2qiq s LEU 87 Cb -0.12 -2.64 0.09 0.00 0.02 0.00 0.00 46.19 43.54 2qiq s LEU 87 CO 0.17 0.30 0.05 -0.13 0.02 0.00 0.00 176.35 176.77 2qiq s ARG 88 N -1.20 1.94 -0.26 1.70 0.52 0.12 -2.11 118.95 119.66 2qiq s ARG 88 Ca 0.25 -1.65 -0.13 0.00 -0.52 0.00 0.00 55.73 53.67 2qiq s ARG 88 Cb -0.16 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 32.02 2qiq s ARG 88 CO 0.14 -0.85 0.30 -0.51 0.02 0.00 0.00 175.30 174.40 2qiq s LEU 89 N 1.07 4.06 0.04 2.53 1.43 0.05 -1.29 118.68 126.57 2qiq s LEU 89 Ca 0.04 0.22 -0.23 0.00 -1.03 0.00 0.00 54.13 53.13 2qiq s LEU 89 Cb -0.20 -2.31 -0.06 0.00 0.03 0.00 0.00 46.19 43.65 2qiq s LEU 89 CO -0.05 -0.10 0.68 -0.54 0.23 0.00 0.00 176.35 176.57 2qiq s LYS 90 N 1.73 4.41 0.24 1.70 3.01 0.08 0.21 119.74 131.13 2qiq s LYS 90 Ca 0.12 0.91 0.05 0.00 -1.01 0.00 0.00 55.97 56.05 2qiq s LYS 90 Cb -0.15 -3.33 -0.05 0.00 -1.01 0.00 0.00 37.83 33.28 2qiq s LYS 90 CO 0.09 0.37 -0.05 0.14 0.51 0.00 0.00 175.35 176.42 2qiq s VAL 91 N -0.30 1.36 0.15 3.17 -7.23 -0.72 -0.68 120.40 116.15 2qiq s VAL 91 Ca 0.34 -2.09 0.21 0.00 -1.81 0.00 0.00 61.98 58.64 2qiq s VAL 91 Cb -0.20 -2.30 0.18 0.00 0.56 0.00 0.00 36.38 34.62 2qiq s VAL 91 CO 0.21 -0.39 1.78 -2.24 -0.31 0.00 0.00 175.10 174.15 2qiq h ASP 92 N 2.44 0.00 -3.85 4.85 3.04 -1.54 -3.44 116.42 117.92 2qiq h ASP 92 Ca -0.39 0.00 -0.69 0.00 -3.24 0.00 0.00 57.03 52.71 2qiq h ASP 92 Cb 1.22 0.00 -0.21 0.00 -1.04 0.00 0.00 39.33 39.30 2qiq h ASP 92 CO 0.65 0.30 -0.73 -0.89 -2.04 0.00 0.00 179.24 176.53 2qiq s THR 93 N -3.64 3.39 -0.03 1.15 2.01 -1.26 -5.07 115.64 112.18 2qiq s THR 93 Ca 0.00 -0.61 -0.30 0.00 0.31 0.00 0.00 61.69 61.09 2qiq s THR 93 Cb 0.11 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.23 2qiq s THR 93 CO 0.66 0.59 1.03 -0.44 -0.69 0.00 0.00 174.62 175.77 2qiq s SER 94 N -0.79 7.28 -0.24 3.53 0.01 -1.26 -4.25 113.70 117.97 2qiq s SER 94 Ca 0.12 1.67 -0.35 0.00 1.31 0.00 0.00 55.95 58.70 2qiq s SER 94 Cb -0.11 -2.57 -0.11 0.00 0.21 0.00 0.00 66.02 63.44 2qiq s SER 94 CO 0.01 -0.37 2.04 -3.20 0.41 0.00 0.00 173.24 172.13 2qiq n ASN 95 N 4.35 2.72 0.00 2.44 2.85 0.19 -4.83 115.26 122.98 2qiq n ASN 95 Ca 0.08 0.66 0.05 0.00 -0.11 0.00 0.00 54.58 55.25 2qiq n ASN 95 Cb 0.49 -1.31 0.27 0.00 1.24 0.00 0.00 39.78 40.47 2qiq n ASN 95 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2qiq n PRO 96 N 7.40 0.14 -0.08 1.20 -0.04 -1.26 -2.49 135.00 139.87 2qiq n PRO 96 Ca 0.32 0.19 0.06 0.00 -0.04 0.00 0.00 63.50 64.03 2qiq n PRO 96 Cb 0.26 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.31 2qiq n PRO 96 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2qiq n LYS 97 N -1.30 1.54 -1.66 0.54 5.02 -1.26 -5.01 118.16 116.03 2qiq n LYS 97 Ca 0.05 -1.54 -0.52 0.00 -2.02 0.00 0.00 58.31 54.28 2qiq n LYS 97 Cb 0.09 -1.24 -0.06 0.00 -0.02 0.00 0.00 35.03 33.80 2qiq n LYS 97 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2qiq n THR 98 N 0.58 0.43 -1.77 -0.18 -1.04 -1.04 -4.86 114.28 106.40 2qiq n THR 98 Ca 0.09 -0.12 -0.29 0.00 -2.04 0.00 0.00 64.05 61.69 2qiq n THR 98 Cb 0.34 -1.63 0.10 0.00 -1.82 0.00 0.00 70.33 67.31 2qiq n THR 98 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2qiq s PRO 99 N 4.29 1.89 0.31 -2.82 0.04 -1.26 -5.01 135.00 132.44 2qiq s PRO 99 Ca 0.98 0.25 -0.29 0.00 0.04 0.00 0.00 61.00 61.98 2qiq s PRO 99 Cb -0.84 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 31.66 2qiq s PRO 99 CO 0.56 -1.68 1.42 0.15 0.04 0.00 0.00 177.00 177.50 2qiq s LYS 100 N -5.43 4.25 0.26 4.56 1.02 -1.26 -4.95 119.74 118.19 2qiq s LYS 100 Ca 0.62 2.36 -0.20 0.00 0.02 0.00 0.00 55.97 58.77 2qiq s LYS 100 Cb -0.12 -3.06 0.02 0.00 -0.52 0.00 0.00 37.83 34.15 2qiq s LYS 100 CO 0.51 -0.39 0.66 1.52 -0.92 0.00 0.00 175.35 176.73 2qiq s TYR 101 N -0.63 -0.14 0.16 3.18 -0.85 -1.26 -1.26 117.35 116.55 2qiq s TYR 101 Ca 0.55 -0.27 -0.10 0.00 -0.52 0.00 0.00 57.07 56.72 2qiq s TYR 101 Cb -0.43 0.61 -0.00 0.00 0.38 0.00 0.00 41.96 42.52 2qiq s TYR 101 CO 0.51 -1.15 0.32 0.15 -1.52 0.00 0.00 175.55 173.86 2qiq s LYS 102 N -3.91 1.17 -0.14 -3.49 1.02 -0.23 -4.89 119.74 109.26 2qiq s LYS 102 Ca 0.11 -1.10 -0.02 0.00 0.02 0.00 0.00 55.97 54.98 2qiq s LYS 102 Cb -0.04 0.40 -0.02 0.00 -0.52 0.00 0.00 37.83 37.64 2qiq s LYS 102 CO 0.05 -0.44 -0.07 -0.06 -0.92 0.00 0.00 175.35 173.91 2qiq s PHE 103 N -3.94 2.96 0.03 3.18 0.08 -1.26 -1.38 117.98 117.65 2qiq s PHE 103 Ca 0.15 -0.39 0.05 0.00 0.12 0.00 0.00 56.93 56.86 2qiq s PHE 103 Cb 0.03 -1.91 -0.02 0.00 -0.57 0.00 0.00 43.02 40.54 2qiq s PHE 103 CO -0.01 -0.07 -0.15 0.08 -0.10 0.00 0.00 175.22 174.97 2qiq s VAL 104 N 0.30 1.18 -0.38 -0.44 1.01 -0.29 -4.95 120.40 116.84 2qiq s VAL 104 Ca -0.06 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 60.80 2qiq s VAL 104 Cb -0.15 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.19 2qiq s VAL 104 CO 0.04 0.06 0.32 -0.60 0.00 0.00 0.00 175.10 174.92 2qiq s ARG 105 N -1.05 3.25 0.62 2.72 3.52 -1.26 -4.15 118.95 122.60 2qiq s ARG 105 Ca 0.03 -0.76 -0.10 0.00 -0.13 0.00 0.00 55.73 54.76 2qiq s ARG 105 Cb -0.08 -3.90 -0.03 0.00 -1.56 0.00 0.00 34.95 29.39 2qiq s ARG 105 CO 0.01 -0.64 1.02 0.96 -0.81 0.00 0.00 175.30 175.84 2qiq s ILE 106 N 1.83 4.47 0.18 4.11 -4.36 -1.26 -5.08 121.20 121.08 2qiq s ILE 106 Ca 0.08 0.72 0.04 0.00 -0.26 0.00 0.00 60.65 61.22 2qiq s ILE 106 Cb -0.18 -3.78 -0.03 0.00 1.25 0.00 0.00 42.46 39.71 2qiq s ILE 106 CO 0.11 -1.01 0.28 -1.10 0.24 0.00 0.00 174.94 173.46 2qiq s GLN 107 N -5.17 3.34 0.52 0.37 -1.52 -1.26 -5.04 119.66 110.90 2qiq s GLN 107 Ca 0.55 -0.70 -0.22 0.00 -1.95 0.00 0.00 55.36 53.03 2qiq s GLN 107 Cb -0.11 -2.88 -0.06 0.00 -0.22 0.00 0.00 33.01 29.73 2qiq s GLN 107 CO 0.53 0.49 1.29 -2.30 -0.25 0.00 0.00 175.29 175.04 2qiq n PRO 108 N -0.79 1.68 0.00 2.91 -0.02 -1.26 -1.76 135.00 135.76 2qiq n PRO 108 Ca -0.08 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2qiq n PRO 108 Cb 0.55 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2qiq n PRO 108 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qiq n GLY 109 N 0.83 3.14 3.82 -1.23 0.00 0.99 -4.93 105.19 107.80 2qiq n GLY 109 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 2qiq n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qiq s GLN 110 N -0.35 3.54 0.29 1.61 -0.21 -0.72 -4.74 119.66 119.07 2qiq s GLN 110 Ca 0.00 1.11 0.10 0.00 0.02 0.00 0.00 55.36 56.58 2qiq s GLN 110 Cb 0.00 -2.07 -0.05 0.00 1.00 0.00 0.00 33.01 31.90 2qiq s GLN 110 CO 0.00 -0.62 -0.02 0.95 -2.12 0.00 0.00 175.29 173.48 2qiq s THR 111 N -2.54 3.11 0.14 -0.19 -4.23 -1.26 -1.15 115.64 109.51 2qiq s THR 111 Ca 0.62 -1.98 -0.25 0.00 -1.18 0.00 0.00 61.69 58.89 2qiq s THR 111 Cb -0.14 -2.76 0.07 0.00 1.34 0.00 0.00 72.50 71.01 2qiq s THR 111 CO 0.36 -0.33 0.85 0.72 -0.54 0.00 0.00 174.62 175.68 2qiq s PHE 112 N -2.40 -0.25 -0.07 3.99 -0.12 -0.23 -4.89 117.98 114.01 2qiq s PHE 112 Ca 0.32 -0.03 -0.05 0.00 -0.05 0.00 0.00 56.93 57.12 2qiq s PHE 112 Cb -0.05 0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 42.92 2qiq s PHE 112 CO 0.19 -0.84 0.16 -1.12 -0.05 0.00 0.00 175.22 173.56 2qiq s SER 113 N -2.80 6.37 -0.10 1.98 0.01 -0.71 0.17 113.70 118.61 2qiq s SER 113 Ca 0.09 0.41 0.02 0.00 1.31 0.00 0.00 55.95 57.78 2qiq s SER 113 Cb -0.02 -2.03 -0.02 0.00 0.21 0.00 0.00 66.02 64.16 2qiq s SER 113 CO -0.02 0.34 -0.15 -0.69 0.41 0.00 0.00 173.24 173.13 2qiq s VAL 114 N -1.16 2.87 -0.50 3.43 1.01 -0.25 -0.32 120.40 125.48 2qiq s VAL 114 Ca 0.20 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 61.30 2qiq s VAL 114 Cb -0.12 -2.17 0.11 0.00 0.00 0.00 0.00 36.38 34.20 2qiq s VAL 114 CO 0.10 0.55 0.42 -0.22 0.00 0.00 0.00 175.10 175.95 2qiq s LEU 115 N 0.07 5.88 0.06 3.92 2.96 -0.63 -2.08 118.68 128.86 2qiq s LEU 115 Ca -0.06 -1.71 -0.31 0.00 -0.22 0.00 0.00 54.13 51.83 2qiq s LEU 115 Cb -0.15 -2.14 -0.06 0.00 0.50 0.00 0.00 46.19 44.34 2qiq s LEU 115 CO 0.05 -0.75 1.27 0.00 -1.32 0.00 0.00 176.35 175.60 2qiq s ALA 116 N 1.53 3.47 0.04 5.97 0.00 0.46 -3.95 121.76 129.29 2qiq s ALA 116 Ca 0.04 0.92 0.04 0.00 0.00 0.00 0.00 51.96 52.95 2qiq s ALA 116 Cb -0.27 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.33 2qiq s ALA 116 CO 0.03 -0.55 -0.11 0.00 0.00 0.00 0.00 175.76 175.12 2qiq s TYR 118 N -1.06 1.59 -1.41 0.00 2.02 -0.62 -4.04 117.35 113.83 2qiq s TYR 118 Ca -0.03 -0.76 -0.08 0.00 -0.37 0.00 0.00 57.07 55.82 2qiq s TYR 118 Cb -0.09 -1.25 0.05 0.00 -0.40 0.00 0.00 41.96 40.27 2qiq s TYR 118 CO 0.01 -0.48 0.60 0.09 -1.57 0.00 0.00 175.55 174.20 2qiq n ASN 119 N 4.63 -4.78 0.00 2.29 5.03 -1.25 -1.39 115.26 119.78 2qiq n ASN 119 Ca -0.16 -0.39 0.00 0.00 0.87 0.00 0.00 54.58 54.90 2qiq n ASN 119 Cb 0.50 -3.89 0.00 0.00 -1.02 0.00 0.00 39.78 35.37 2qiq n ASN 119 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2qiq n GLY 120 N -1.37 0.81 3.35 7.41 0.00 -1.26 -4.48 105.19 109.65 2qiq n GLY 120 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 2qiq n GLY 120 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qiq s SER 121 N -2.71 5.03 0.19 1.61 0.15 -0.49 -4.26 113.70 113.21 2qiq s SER 121 Ca 0.00 -0.63 -0.33 0.00 0.70 0.00 0.00 55.95 55.69 2qiq s SER 121 Cb 0.00 -1.86 -0.13 0.00 -1.71 0.00 0.00 66.02 62.32 2qiq s SER 121 CO 0.00 -0.16 1.67 -2.65 1.20 0.00 0.00 173.24 173.30 2qiq n PRO 122 N 4.86 2.54 -0.01 5.44 -0.02 -1.26 -1.58 135.00 144.96 2qiq n PRO 122 Ca -0.15 0.92 -0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2qiq n PRO 122 Cb 0.49 -2.73 -0.03 0.00 -0.02 0.00 0.00 33.50 31.20 2qiq n PRO 122 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2qiq n SER 123 N 3.79 4.10 -3.48 2.55 3.41 0.88 -4.91 113.62 119.95 2qiq n SER 123 Ca 0.16 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.68 2qiq n SER 123 Cb 0.32 0.81 -0.02 0.00 -0.26 0.00 0.00 64.21 65.07 2qiq n SER 123 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2qiq s GLY 124 N -3.08 -0.50 0.00 5.00 0.00 -1.02 -5.00 107.32 102.72 2qiq s GLY 124 Ca -0.02 0.88 0.02 0.00 0.00 0.00 0.00 44.72 45.61 2qiq s GLY 124 CO 0.16 0.29 -0.08 0.54 0.00 0.00 0.00 173.10 174.01 2qiq s VAL 125 N -3.27 0.61 0.14 1.40 0.11 -1.26 -0.41 120.40 117.72 2qiq s VAL 125 Ca 0.04 -0.44 -0.16 0.00 -2.93 0.00 0.00 61.98 58.49 2qiq s VAL 125 Cb -0.01 -0.54 0.03 0.00 -1.53 0.00 0.00 36.38 34.34 2qiq s VAL 125 CO -0.10 0.10 0.41 -0.72 -3.33 0.00 0.00 175.10 171.46 2qiq s TYR 126 N -0.34 -0.18 -0.01 1.54 -0.85 -0.88 -4.99 117.35 111.63 2qiq s TYR 126 Ca 0.01 -0.14 -0.11 0.00 -0.52 0.00 0.00 57.07 56.31 2qiq s TYR 126 Cb -0.04 0.27 -0.05 0.00 0.38 0.00 0.00 41.96 42.52 2qiq s TYR 126 CO -0.00 -0.73 0.33 -1.14 -1.52 0.00 0.00 175.55 172.49 2qiq s GLN 127 N -3.82 3.73 0.08 -3.49 2.00 -1.26 -1.10 119.66 115.81 2qiq s GLN 127 Ca 0.04 0.17 0.02 0.00 -2.00 0.00 0.00 55.36 53.59 2qiq s GLN 127 Cb 0.02 -3.15 -0.04 0.00 0.80 0.00 0.00 33.01 30.64 2qiq s GLN 127 CO -0.11 0.68 -0.07 0.00 -0.50 0.00 0.00 175.29 175.30 2qiq s ALA 129 N -3.19 1.97 -0.30 0.00 0.00 -1.26 -1.06 121.76 117.91 2qiq s ALA 129 Ca 0.07 -1.19 -0.29 0.00 0.00 0.00 0.00 51.96 50.55 2qiq s ALA 129 Cb 0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 2qiq s ALA 129 CO -0.04 0.44 1.60 1.41 0.00 0.00 0.00 175.76 179.17 2qiq s MET 130 N -1.42 3.63 0.64 0.00 1.75 -0.30 -4.51 119.30 119.10 2qiq s MET 130 Ca 0.09 1.41 -0.17 0.00 -1.25 0.00 0.00 55.69 55.78 2qiq s MET 130 Cb -0.09 -4.07 -0.01 0.00 2.84 0.00 0.00 34.83 33.50 2qiq s MET 130 CO 0.03 -1.49 1.17 1.03 -0.65 0.00 0.00 175.02 175.11 2qiq s ARG 131 N 4.96 2.74 0.55 4.11 1.81 -0.21 -0.01 118.95 132.90 2qiq s ARG 131 Ca 0.70 1.68 0.36 0.00 -1.72 0.00 0.00 55.73 56.75 2qiq s ARG 131 Cb -0.21 -1.92 1.52 0.00 -0.45 0.00 0.00 34.95 33.89 2qiq s ARG 131 CO 0.31 -1.35 1.77 -1.35 -0.68 0.00 0.00 175.30 174.00 2qiq h PRO 132 N 0.38 0.00 -0.50 3.54 0.11 -1.88 0.11 132.00 133.76 2qiq h PRO 132 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2qiq h PRO 132 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2qiq h PRO 132 CO 0.53 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.59 2qiq n ASN 133 N -4.05 2.56 -0.41 -2.05 6.94 -1.26 -4.92 115.26 112.07 2qiq n ASN 133 Ca 0.24 -2.13 -0.05 0.00 -0.02 0.00 0.00 54.58 52.62 2qiq n ASN 133 Cb 1.24 -0.36 -0.02 0.00 -2.36 0.00 0.00 39.78 38.28 2qiq n ASN 133 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 2qiq n HIS 134 N 0.62 0.00 -3.68 -2.53 8.25 0.03 -4.64 115.22 113.26 2qiq n HIS 134 Ca 0.14 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.38 2qiq n HIS 134 Cb 0.45 -1.32 -0.03 0.00 1.12 0.00 0.00 29.99 30.21 2qiq n HIS 134 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2qiq s THR 135 N -2.10 2.46 -0.01 1.59 -4.23 -1.26 -4.49 115.64 107.61 2qiq s THR 135 Ca 0.00 -1.41 0.06 0.00 -1.18 0.00 0.00 61.69 59.15 2qiq s THR 135 Cb 0.00 -2.87 -0.01 0.00 1.34 0.00 0.00 72.50 70.95 2qiq s THR 135 CO 0.00 0.00 -0.18 0.27 -0.54 0.00 0.00 174.62 174.17 2qiq s ILE 136 N -2.54 1.41 -1.27 2.99 -4.36 -0.34 -1.04 121.20 116.04 2qiq s ILE 136 Ca 0.46 -0.79 -0.15 0.00 -0.26 0.00 0.00 60.65 59.90 2qiq s ILE 136 Cb -0.02 -1.18 0.12 0.00 1.25 0.00 0.00 42.46 42.63 2qiq s ILE 136 CO 0.26 0.37 1.67 0.29 0.24 0.00 0.00 174.94 177.77 2qiq n LYS 137 N 2.57 3.28 -0.66 0.37 4.01 -1.26 -1.21 118.16 125.26 2qiq n LYS 137 Ca -0.15 -3.48 0.00 0.00 -0.51 0.00 0.00 58.31 54.17 2qiq n LYS 137 Cb 0.54 -3.24 0.00 0.00 -0.51 0.00 0.00 35.03 31.82 2qiq n LYS 137 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2qiq n GLY 138 N 4.52 1.81 2.58 0.72 0.00 -1.26 -4.92 105.19 108.64 2qiq n GLY 138 Ca 0.43 -2.08 -0.28 0.00 0.00 0.00 0.00 46.02 44.09 2qiq n GLY 138 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qiq s SER 139 N -1.00 3.31 -0.06 1.61 0.15 -1.26 -4.96 113.70 111.48 2qiq s SER 139 Ca 0.00 -1.16 -0.01 0.00 0.70 0.00 0.00 55.95 55.48 2qiq s SER 139 Cb 0.00 -0.39 0.03 0.00 -1.71 0.00 0.00 66.02 63.95 2qiq s SER 139 CO 0.00 -0.41 0.00 -0.36 1.20 0.00 0.00 173.24 173.67 2qiq s PHE 140 N 2.05 0.54 0.51 3.44 0.40 -1.26 -4.95 117.98 118.72 2qiq s PHE 140 Ca 0.07 -0.09 0.07 0.00 -0.60 0.00 0.00 56.93 56.38 2qiq s PHE 140 Cb -0.16 -0.68 0.05 0.00 0.51 0.00 0.00 43.02 42.73 2qiq s PHE 140 CO -0.29 -0.26 0.70 -0.51 0.70 0.00 0.00 175.22 175.56 2qiq s LEU 141 N 1.72 3.38 0.04 -0.37 2.01 -1.26 -4.99 118.68 119.21 2qiq s LEU 141 Ca 0.01 -0.50 -0.36 0.00 0.01 0.00 0.00 54.13 53.29 2qiq s LEU 141 Cb -0.13 -2.30 -0.15 0.00 0.01 0.00 0.00 46.19 43.62 2qiq s LEU 141 CO -0.04 -1.09 1.51 0.59 1.01 0.00 0.00 176.35 178.34 2qiq n ASN 142 N -2.12 2.32 0.00 2.29 5.03 -1.26 -1.75 115.26 119.77 2qiq n ASN 142 Ca 0.11 1.09 0.00 0.00 0.87 0.00 0.00 54.58 56.65 2qiq n ASN 142 Cb 0.60 -1.27 0.00 0.00 -1.02 0.00 0.00 39.78 38.09 2qiq n ASN 142 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2qiq n GLY 143 N 3.18 0.86 0.00 7.41 0.00 -1.26 -4.99 105.19 110.40 2qiq n GLY 143 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 2qiq n GLY 143 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qiq n SER 144 N 0.00 0.56 -4.75 1.61 3.41 -0.72 -3.79 113.62 109.94 2qiq n SER 144 Ca 0.00 -0.34 -0.39 0.00 -0.26 0.00 0.00 58.87 57.87 2qiq n SER 144 Cb 0.00 0.34 0.03 0.00 -0.26 0.00 0.00 64.21 64.32 2qiq n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qiq n GLY 146 N 0.67 1.70 3.77 0.00 0.00 -0.09 -1.53 105.19 109.71 2qiq n GLY 146 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 2qiq n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qiq s SER 147 N -3.17 6.06 0.23 1.61 0.01 -0.76 -4.46 113.70 113.21 2qiq s SER 147 Ca 0.00 3.01 0.09 0.00 1.31 0.00 0.00 55.95 60.35 2qiq s SER 147 Cb 0.00 -2.66 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 2qiq s SER 147 CO 0.00 -1.06 -0.01 0.68 0.41 0.00 0.00 173.24 173.26 2qiq s VAL 148 N -1.16 3.55 0.10 3.43 -7.23 -1.25 -0.56 120.40 117.27 2qiq s VAL 148 Ca 0.57 -1.71 0.07 0.00 -1.81 0.00 0.00 61.98 59.11 2qiq s VAL 148 Cb -0.46 -2.85 -0.04 0.00 0.56 0.00 0.00 36.38 33.60 2qiq s VAL 148 CO 0.60 -0.26 -0.12 -0.83 -0.31 0.00 0.00 175.10 174.18 2qiq s GLY 149 N -3.35 1.76 -0.01 2.32 0.00 -0.18 -1.60 107.32 106.25 2qiq s GLY 149 Ca 0.29 -1.25 -0.29 0.00 0.00 0.00 0.00 44.72 43.48 2qiq s GLY 149 CO 0.19 -1.21 0.75 -0.11 0.00 0.00 0.00 173.10 172.72 2qiq s PHE 150 N -1.17 -0.53 0.22 1.90 -0.12 0.57 -1.20 117.98 117.64 2qiq s PHE 150 Ca 0.20 0.71 0.09 0.00 -0.05 0.00 0.00 56.93 57.88 2qiq s PHE 150 Cb -0.11 0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.71 2qiq s PHE 150 CO 0.12 -0.61 -0.02 -0.80 -0.05 0.00 0.00 175.22 173.86 2qiq s ASN 151 N -1.74 4.55 -0.07 1.98 0.01 0.01 -1.74 114.94 117.93 2qiq s ASN 151 Ca -0.04 -0.55 0.02 0.00 -0.71 0.00 0.00 52.86 51.58 2qiq s ASN 151 Cb -0.00 -0.87 0.01 0.00 0.41 0.00 0.00 41.25 40.80 2qiq s ASN 151 CO 0.00 0.05 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.88 2qiq s ILE 152 N -1.98 1.27 -0.08 0.60 1.01 -1.26 -0.31 121.20 120.45 2qiq s ILE 152 Ca 0.28 -0.55 -0.00 0.00 0.00 0.00 0.00 60.65 60.38 2qiq s ILE 152 Cb -0.08 -1.16 0.02 0.00 0.01 0.00 0.00 42.46 41.26 2qiq s ILE 152 CO 0.18 0.39 -0.04 1.51 0.00 0.00 0.00 174.94 176.98 2qiq s ASP 153 N 0.67 1.67 -0.34 3.58 -4.77 -0.63 -4.90 116.67 111.95 2qiq s ASP 153 Ca -0.14 -0.18 -0.10 0.00 -3.30 0.00 0.00 52.55 48.83 2qiq s ASP 153 Cb -0.16 -0.60 0.02 0.00 -1.09 0.00 0.00 42.92 41.09 2qiq s ASP 153 CO 0.04 -0.13 0.33 -1.22 0.70 0.00 0.00 175.17 174.89 2qiq n TYR 154 N 4.79 -1.24 -0.61 2.11 4.01 -1.26 -1.73 117.16 123.23 2qiq n TYR 154 Ca -0.13 0.51 0.00 0.00 -0.16 0.00 0.00 57.90 58.12 2qiq n TYR 154 Cb 0.50 -1.19 0.00 0.00 -0.31 0.00 0.00 39.34 38.34 2qiq n TYR 154 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2qiq n ASP 155 N -0.42 -0.84 -4.63 7.72 10.43 -1.26 -4.95 116.55 122.61 2qiq n ASP 155 Ca -0.11 0.00 -0.39 0.00 2.57 0.00 0.00 54.79 56.86 2qiq n ASP 155 Cb 0.37 -2.43 -0.08 0.00 1.84 0.00 0.00 41.12 40.82 2qiq n ASP 155 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qiq s VAL 157 N 1.90 4.98 -0.48 0.00 1.01 -0.39 -1.60 120.40 125.81 2qiq s VAL 157 Ca 0.18 0.54 -0.18 0.00 0.00 0.00 0.00 61.98 62.52 2qiq s VAL 157 Cb -0.15 -3.98 0.05 0.00 0.00 0.00 0.00 36.38 32.30 2qiq s VAL 157 CO 0.09 -0.19 0.56 -0.44 0.00 0.00 0.00 175.10 175.12 2qiq s SER 158 N 1.73 6.22 0.14 3.32 0.01 0.58 -1.06 113.70 124.63 2qiq s SER 158 Ca 0.21 -0.89 -0.30 0.00 1.31 0.00 0.00 55.95 56.29 2qiq s SER 158 Cb -0.15 -2.27 -0.07 0.00 0.21 0.00 0.00 66.02 63.75 2qiq s SER 158 CO 0.13 -0.79 0.98 -0.36 0.41 0.00 0.00 173.24 173.61 2qiq s PHE 159 N 2.42 3.81 0.00 2.43 0.08 -0.48 -0.81 117.98 125.43 2qiq s PHE 159 Ca 0.14 1.79 0.00 0.00 0.12 0.00 0.00 56.93 58.97 2qiq s PHE 159 Cb -0.19 -3.08 0.00 0.00 -0.57 0.00 0.00 43.02 39.18 2qiq s PHE 159 CO 0.12 0.12 0.00 0.00 -0.10 0.00 0.00 175.22 175.36 2qiq s TYR 161 N -0.58 -0.21 -0.02 0.00 5.04 -1.14 -4.17 117.35 116.27 2qiq s TYR 161 Ca 0.00 0.47 0.03 0.00 -2.44 0.00 0.00 57.07 55.13 2qiq s TYR 161 Cb 0.00 0.07 0.00 0.00 0.35 0.00 0.00 41.96 42.39 2qiq s TYR 161 CO 0.00 -0.22 -0.09 1.41 -1.34 0.00 0.00 175.55 175.31 2qiq s MET 162 N -0.43 0.96 0.13 4.97 -2.45 0.10 -1.01 119.30 121.57 2qiq s MET 162 Ca -0.05 -0.31 -0.28 0.00 -1.25 0.00 0.00 55.69 53.79 2qiq s MET 162 Cb -0.04 -0.90 -0.07 0.00 1.25 0.00 0.00 34.83 35.08 2qiq s MET 162 CO 0.01 0.12 0.90 -1.58 1.05 0.00 0.00 175.02 175.52 2qiq s HIS 163 N 0.16 3.84 0.00 4.11 2.46 0.28 -1.76 115.29 124.38 2qiq s HIS 163 Ca -0.03 1.74 0.00 0.00 0.47 0.00 0.00 55.06 57.24 2qiq s HIS 163 Cb -0.08 -2.96 0.00 0.00 -0.13 0.00 0.00 32.58 29.41 2qiq s HIS 163 CO 0.00 0.30 0.00 0.72 -2.47 0.00 0.00 174.74 173.30 2qiq n HIS 164 N 2.41 0.00 -3.59 3.88 8.25 -0.99 -0.91 115.22 124.26 2qiq n HIS 164 Ca -0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 2qiq n HIS 164 Cb 0.49 0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.57 2qiq n HIS 164 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qiq s MET 165 N -1.79 1.14 -0.11 -0.41 0.00 -0.76 -4.93 119.30 112.44 2qiq s MET 165 Ca 0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 55.69 55.00 2qiq s MET 165 Cb 0.00 0.50 -0.03 0.00 0.00 0.00 0.00 34.83 35.30 2qiq s MET 165 CO 0.00 -0.46 -0.02 -2.00 0.00 0.00 0.00 175.02 172.54 2qiq s GLU 166 N -3.80 3.22 0.52 3.16 2.12 -1.26 -1.14 118.70 121.53 2qiq s GLU 166 Ca 0.03 -0.46 -0.00 0.00 0.36 0.00 0.00 54.97 54.90 2qiq s GLU 166 Cb 0.01 -2.82 0.02 0.00 0.26 0.00 0.00 34.13 31.60 2qiq s GLU 166 CO -0.11 0.53 0.76 -0.51 -0.54 0.00 0.00 175.26 175.38 2qiq s LEU 167 N -0.40 3.39 0.33 2.70 1.43 0.17 -4.97 118.68 121.32 2qiq s LEU 167 Ca 0.07 0.19 0.06 0.00 -1.03 0.00 0.00 54.13 53.41 2qiq s LEU 167 Cb -0.12 -3.05 0.70 0.00 0.03 0.00 0.00 46.19 43.75 2qiq s LEU 167 CO 0.02 -0.99 1.87 -0.65 0.23 0.00 0.00 176.35 176.83 2qiq h PRO 168 N 0.14 0.80 0.00 1.29 0.11 -1.86 -0.59 132.00 131.89 2qiq h PRO 168 Ca -0.44 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2qiq h PRO 168 Cb 1.28 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2qiq h PRO 168 CO 0.55 0.53 0.00 0.25 -0.21 0.00 0.00 178.00 179.12 2qiq n THR 169 N -4.56 0.22 -0.12 -1.15 -2.24 -1.26 -4.84 114.28 100.33 2qiq n THR 169 Ca 0.17 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 2qiq n THR 169 Cb 0.39 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 2qiq n THR 169 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qiq n GLY 170 N 0.05 0.63 3.94 3.38 0.00 -0.23 -5.08 105.19 107.88 2qiq n GLY 170 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 2qiq n GLY 170 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qiq s VAL 171 N -2.34 3.60 0.10 1.61 -7.23 -1.25 -4.78 120.40 110.11 2qiq s VAL 171 Ca 0.00 -0.28 0.09 0.00 -1.81 0.00 0.00 61.98 59.98 2qiq s VAL 171 Cb 0.00 -3.39 -0.04 0.00 0.56 0.00 0.00 36.38 33.51 2qiq s VAL 171 CO 0.00 -0.34 -0.21 -1.00 -0.31 0.00 0.00 175.10 173.24 2qiq s HIS 172 N -2.81 2.47 0.03 2.82 0.09 -0.35 0.41 115.29 117.94 2qiq s HIS 172 Ca 0.52 -0.30 0.01 0.00 -0.00 0.00 0.00 55.06 55.29 2qiq s HIS 172 Cb -0.10 -1.34 -0.02 0.00 -0.00 0.00 0.00 32.58 31.11 2qiq s HIS 172 CO 0.42 0.33 -0.05 0.00 -0.00 0.00 0.00 174.74 175.44 2qiq s ALA 173 N -1.06 0.36 0.00 -1.40 0.00 -0.29 -1.20 121.76 118.17 2qiq s ALA 173 Ca 0.16 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2qiq s ALA 173 Cb -0.10 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.08 2qiq s ALA 173 CO 0.08 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.19 2qiq n GLY 174 N 1.77 1.39 3.29 0.00 0.00 -1.26 -1.83 105.19 108.54 2qiq n GLY 174 Ca -0.21 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 44.91 2qiq n GLY 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qiq s THR 175 N -2.39 0.96 1.09 2.61 -4.23 -0.72 -1.31 115.64 111.65 2qiq s THR 175 Ca 0.00 -2.02 -0.18 0.00 -1.18 0.00 0.00 61.69 58.30 2qiq s THR 175 Cb 0.00 -2.18 0.27 0.00 1.34 0.00 0.00 72.50 71.93 2qiq s THR 175 CO 0.00 -0.46 1.10 -0.90 -0.54 0.00 0.00 174.62 173.83 2qiq n ASP 176 N -0.32 -1.40 -0.34 3.99 5.68 -0.65 0.00 116.55 123.51 2qiq n ASP 176 Ca -0.07 -1.23 0.01 0.00 -0.50 0.00 0.00 54.79 53.01 2qiq n ASP 176 Cb 0.63 -0.95 0.05 0.00 -1.14 0.00 0.00 41.12 39.71 2qiq n ASP 176 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2qiq n LEU 177 N 0.00 0.88 -0.47 -2.12 7.99 -1.26 -3.75 117.00 118.28 2qiq n LEU 177 Ca 0.15 -0.44 0.13 0.00 -0.01 0.00 0.00 56.01 55.83 2qiq n LEU 177 Cb 0.55 -0.21 0.33 0.00 -0.11 0.00 0.00 43.42 43.99 2qiq n LEU 177 CO 0.39 0.19 0.68 -0.62 -1.51 0.00 0.00 177.39 176.51 2qiq n GLU 178 N -0.11 1.39 -3.02 3.23 1.02 -1.26 -4.97 120.64 116.92 2qiq n GLU 178 Ca 0.04 -0.94 -0.44 0.00 -0.02 0.00 0.00 57.16 55.81 2qiq n GLU 178 Cb 0.18 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 30.06 2qiq n GLU 178 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2qiq s GLY 179 N -2.25 1.62 0.01 0.62 0.00 -1.21 -4.17 107.32 101.93 2qiq s GLY 179 Ca 0.29 -1.70 -0.21 0.00 0.00 0.00 0.00 44.72 43.10 2qiq s GLY 179 CO 0.43 1.73 0.60 0.54 0.00 0.00 0.00 173.10 176.40 2qiq s LYS 180 N 3.19 4.32 0.50 2.90 1.02 -1.26 -1.60 119.74 128.81 2qiq s LYS 180 Ca 0.19 0.75 -0.23 0.00 0.02 0.00 0.00 55.97 56.71 2qiq s LYS 180 Cb -0.18 -3.33 -0.07 0.00 -0.52 0.00 0.00 37.83 33.73 2qiq s LYS 180 CO 0.13 0.39 1.27 1.19 -0.92 0.00 0.00 175.35 177.40 2qiq n PHE 181 N 2.64 2.03 -2.71 3.18 3.01 -1.26 -1.63 117.46 122.71 2qiq n PHE 181 Ca -0.07 0.46 -0.42 0.00 1.01 0.00 0.00 57.45 58.44 2qiq n PHE 181 Cb 0.51 -2.34 -0.04 0.00 -0.01 0.00 0.00 39.48 37.60 2qiq n PHE 181 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 2qiq s TYR 182 N -1.28 3.72 0.00 1.38 2.02 -0.43 -4.82 117.35 117.94 2qiq s TYR 182 Ca 0.67 1.73 0.00 0.00 -0.37 0.00 0.00 57.07 59.10 2qiq s TYR 182 Cb -0.46 -3.10 0.00 0.00 -0.40 0.00 0.00 41.96 38.00 2qiq s TYR 182 CO 0.53 0.04 0.00 0.41 -1.57 0.00 0.00 175.55 174.96 2qiq n GLY 183 N 2.62 -1.25 1.47 0.71 0.00 -1.26 -4.42 105.19 103.06 2qiq n GLY 183 Ca 0.04 -1.58 -0.02 0.00 0.00 0.00 0.00 46.02 44.46 2qiq n GLY 183 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qiq n PRO 184 N -1.24 1.09 -4.04 1.61 -0.04 -1.26 -4.92 135.00 126.19 2qiq n PRO 184 Ca 0.00 -0.19 -0.24 0.00 -0.04 0.00 0.00 63.50 63.03 2qiq n PRO 184 Cb 0.00 -1.07 -0.04 0.00 -0.04 0.00 0.00 33.50 32.35 2qiq n PRO 184 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2qiq s PHE 185 N -0.22 3.26 0.08 0.54 0.08 -1.26 -5.07 117.98 115.40 2qiq s PHE 185 Ca 0.04 -0.02 0.05 0.00 0.12 0.00 0.00 56.93 57.12 2qiq s PHE 185 Cb 0.03 -1.52 -0.03 0.00 -0.57 0.00 0.00 43.02 40.92 2qiq s PHE 185 CO 0.00 0.51 -0.13 0.14 -0.10 0.00 0.00 175.22 175.64 2qiq s VAL 186 N -1.89 1.06 -1.36 -0.44 -7.23 -1.26 -4.81 120.40 104.47 2qiq s VAL 186 Ca 0.33 -1.43 -0.07 0.00 -1.81 0.00 0.00 61.98 59.00 2qiq s VAL 186 Cb -0.09 -1.18 0.06 0.00 0.56 0.00 0.00 36.38 35.73 2qiq s VAL 186 CO 0.26 -0.35 2.56 -0.90 -0.31 0.00 0.00 175.10 176.37 2qiq n ASP 187 N 1.00 8.18 -3.93 4.85 5.75 -1.26 -4.82 116.55 126.32 2qiq n ASP 187 Ca -0.19 -2.99 -0.12 0.00 -0.01 0.00 0.00 54.79 51.48 2qiq n ASP 187 Cb 0.55 -1.41 -0.13 0.00 -1.03 0.00 0.00 41.12 39.10 2qiq n ASP 187 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qiq s ARG 188 N -0.28 0.19 -1.19 0.11 1.70 -1.26 -4.93 118.95 113.29 2qiq s ARG 188 Ca 0.59 -0.25 -0.19 0.00 -0.47 0.00 0.00 55.73 55.40 2qiq s ARG 188 Cb 0.19 -0.06 -0.03 0.00 -0.57 0.00 0.00 34.95 34.48 2qiq s ARG 188 CO -0.09 0.01 1.94 1.04 -1.08 0.00 0.00 175.30 177.13 2qiq n GLN 189 N 2.54 2.35 0.00 3.89 6.02 -0.86 -4.89 117.38 126.44 2qiq n GLN 189 Ca -0.16 -2.60 0.00 0.00 -0.01 0.00 0.00 57.00 54.23 2qiq n GLN 189 Cb 0.58 -3.38 0.00 0.00 1.02 0.00 0.00 30.24 28.46 2qiq n GLN 189 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2qiq n THR 190 N 6.35 0.00 1.03 5.09 -2.24 -1.26 -4.62 114.28 118.63 2qiq n THR 190 Ca 0.49 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.30 2qiq n THR 190 Cb 0.43 -0.43 0.10 0.00 -2.10 0.00 0.00 70.33 68.34 2qiq n THR 190 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qiq n ALA 191 N -3.00 2.61 -1.73 6.98 0.00 -1.26 -4.97 120.51 119.14 2qiq n ALA 191 Ca 0.00 -0.43 -0.41 0.00 0.00 0.00 0.00 53.44 52.59 2qiq n ALA 191 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2qiq n ALA 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qiq n GLN 192 N 0.14 2.28 -4.11 0.00 10.64 -1.26 -5.02 117.38 120.06 2qiq n GLN 192 Ca 0.07 0.80 -0.14 0.00 -1.83 0.00 0.00 57.00 55.91 2qiq n GLN 192 Cb 0.30 -2.49 -0.12 0.00 -0.86 0.00 0.00 30.24 27.06 2qiq n GLN 192 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2qiq s ALA 193 N -1.14 0.60 0.37 2.61 0.00 -1.26 -4.59 121.76 118.35 2qiq s ALA 193 Ca 0.56 -0.65 -0.28 0.00 0.00 0.00 0.00 51.96 51.59 2qiq s ALA 193 Cb -0.51 -0.01 -0.11 0.00 0.00 0.00 0.00 23.12 22.49 2qiq s ALA 193 CO 0.61 0.03 1.47 0.00 0.00 0.00 0.00 175.76 177.88 2qiq n ALA 194 N 1.83 2.28 -1.18 0.00 0.00 -1.26 -5.02 120.51 117.16 2qiq n ALA 194 Ca -0.20 0.34 -0.29 0.00 0.00 0.00 0.00 53.44 53.29 2qiq n ALA 194 Cb 0.55 -2.41 0.20 0.00 0.00 0.00 0.00 19.45 17.80 2qiq n ALA 194 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2qiq s GLY 195 N -0.14 1.58 0.36 0.00 0.00 -1.26 -4.98 107.32 102.88 2qiq s GLY 195 Ca 0.54 -0.63 -0.28 0.00 0.00 0.00 0.00 44.72 44.34 2qiq s GLY 195 CO 0.63 0.09 1.32 -0.51 0.00 0.00 0.00 173.10 174.64 2qiq s THR 196 N -3.03 2.61 0.46 0.90 -4.23 -1.26 -4.91 115.64 106.18 2qiq s THR 196 Ca 0.68 0.59 0.07 0.00 -1.18 0.00 0.00 61.69 61.85 2qiq s THR 196 Cb -0.15 -3.37 0.03 0.00 1.34 0.00 0.00 72.50 70.35 2qiq s THR 196 CO 0.57 0.12 0.63 -0.62 -0.54 0.00 0.00 174.62 174.78 2qiq s ASP 197 N -0.55 5.51 0.05 3.99 2.15 -1.26 -4.71 116.67 121.86 2qiq s ASP 197 Ca 0.52 -0.44 0.01 0.00 0.43 0.00 0.00 52.55 53.07 2qiq s ASP 197 Cb -0.40 -0.53 -0.03 0.00 -0.30 0.00 0.00 42.92 41.66 2qiq s ASP 197 CO 0.52 -0.91 -0.05 -0.89 -0.17 0.00 0.00 175.17 173.67 2qiq s THR 198 N -2.46 0.38 0.29 1.71 2.01 -1.26 -5.03 115.64 111.29 2qiq s THR 198 Ca 0.57 -1.48 -0.28 0.00 0.31 0.00 0.00 61.69 60.81 2qiq s THR 198 Cb -0.09 -1.08 -0.09 0.00 0.01 0.00 0.00 72.50 71.24 2qiq s THR 198 CO 0.35 -0.72 0.96 -0.89 -0.69 0.00 0.00 174.62 173.62 2qiq s THR 199 N -2.75 4.08 -0.90 -0.82 2.01 -0.52 -4.59 115.64 112.14 2qiq s THR 199 Ca -0.01 1.87 -0.21 0.00 0.31 0.00 0.00 61.69 63.65 2qiq s THR 199 Cb -0.01 -4.10 0.09 0.00 0.01 0.00 0.00 72.50 68.49 2qiq s THR 199 CO -0.04 0.28 1.21 -0.63 -0.69 0.00 0.00 174.62 174.74 2qiq s ILE 200 N -1.43 4.37 0.22 1.82 1.01 -1.26 -1.73 121.20 124.20 2qiq s ILE 200 Ca 0.47 -1.04 -0.11 0.00 0.00 0.00 0.00 60.65 59.97 2qiq s ILE 200 Cb -0.22 -4.86 0.23 0.00 0.01 0.00 0.00 42.46 37.62 2qiq s ILE 200 CO 0.28 -1.65 1.65 0.74 0.00 0.00 0.00 174.94 175.96 2qiq h THR 201 N 6.15 0.42 -0.85 2.92 2.02 -1.93 -1.78 112.91 119.86 2qiq h THR 201 Ca 0.08 -0.03 0.09 0.00 0.77 0.00 0.00 66.41 67.32 2qiq h THR 201 Cb 1.03 0.34 -0.07 0.00 -1.74 0.00 0.00 68.15 67.70 2qiq h THR 201 CO 1.22 0.01 0.50 0.25 0.37 0.00 0.00 175.52 177.88 2qiq h LEU 202 N 0.08 0.74 -0.30 2.58 5.85 -1.91 -1.91 115.31 120.45 2qiq h LEU 202 Ca 0.34 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 59.00 2qiq h LEU 202 Cb 0.55 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2qiq h LEU 202 CO -0.59 0.44 -0.20 0.78 -0.34 0.00 0.00 178.44 178.52 2qiq h ASN 203 N 0.86 0.69 -0.22 1.25 4.21 -1.57 -1.56 115.58 119.24 2qiq h ASN 203 Ca 0.40 -0.44 0.05 0.00 1.21 0.00 0.00 56.30 57.53 2qiq h ASN 203 Cb 0.31 -0.19 -0.06 0.00 -1.12 0.00 0.00 38.32 37.27 2qiq h ASN 203 CO -0.23 0.98 -0.14 0.58 -1.29 0.00 0.00 177.43 177.34 2qiq h VAL 204 N 0.41 0.60 -0.80 2.81 2.07 -1.12 -0.65 116.25 119.56 2qiq h VAL 204 Ca 0.06 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.65 2qiq h VAL 204 Cb 0.75 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 2qiq h VAL 204 CO 0.05 0.00 0.47 -0.07 0.02 0.00 0.00 177.57 178.05 2qiq h LEU 205 N -0.13 0.72 -0.89 2.57 3.38 -1.36 -0.35 115.31 119.25 2qiq h LEU 205 Ca 0.12 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2qiq h LEU 205 Cb 0.31 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2qiq h LEU 205 CO -0.30 0.45 0.56 0.00 0.09 0.00 0.00 178.44 179.24 2qiq h ALA 206 N 1.40 1.13 -0.11 1.53 0.00 -0.81 -1.48 119.26 120.92 2qiq h ALA 206 Ca 0.36 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 55.00 2qiq h ALA 206 Cb 0.23 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2qiq h ALA 206 CO -0.20 0.57 -0.69 2.35 0.00 0.00 0.00 179.25 181.29 2qiq h TRP 207 N 1.22 0.62 -0.88 0.00 7.01 -0.24 -0.76 115.95 122.92 2qiq h TRP 207 Ca 0.32 -0.26 -0.02 0.00 2.11 0.00 0.00 58.89 61.05 2qiq h TRP 207 Cb -0.08 -0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 26.83 2qiq h TRP 207 CO -0.00 1.01 0.49 -0.07 -2.79 0.00 0.00 178.44 177.08 2qiq h LEU 208 N 0.33 1.09 -0.81 0.65 3.38 -0.83 -1.22 115.31 117.90 2qiq h LEU 208 Ca -0.02 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.89 2qiq h LEU 208 Cb 1.26 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 2qiq h LEU 208 CO 0.12 0.87 0.52 1.88 0.09 0.00 0.00 178.44 181.92 2qiq h TYR 209 N 1.23 0.97 -0.75 1.13 -1.99 -0.67 -2.78 116.97 114.10 2qiq h TYR 209 Ca 0.31 0.03 0.03 0.00 2.00 0.00 0.00 58.73 61.10 2qiq h TYR 209 Cb 0.01 -0.32 -0.05 0.00 2.00 0.00 0.00 36.73 38.38 2qiq h TYR 209 CO 0.01 0.56 0.48 0.00 -0.00 0.00 0.00 178.16 179.20 2qiq h ALA 210 N 1.34 0.98 -0.99 3.88 0.00 -0.72 -0.77 119.26 122.98 2qiq h ALA 210 Ca 0.32 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.28 2qiq h ALA 210 Cb 0.01 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.48 2qiq h ALA 210 CO -0.11 0.27 0.64 0.00 0.00 0.00 0.00 179.25 180.04 2qiq h ALA 211 N 1.32 1.39 -0.09 0.00 0.00 -0.97 0.22 119.26 121.13 2qiq h ALA 211 Ca 0.30 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 2qiq h ALA 211 Cb 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2qiq h ALA 211 CO -0.11 0.41 -0.24 0.28 0.00 0.00 0.00 179.25 179.58 2qiq h VAL 212 N 1.14 1.41 0.00 0.00 2.07 -1.26 0.91 116.25 120.52 2qiq h VAL 212 Ca 0.43 -1.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 2qiq h VAL 212 Cb 0.20 2.22 -0.00 0.00 -1.52 0.00 0.00 31.29 32.19 2qiq h VAL 212 CO -0.18 0.45 -0.02 0.40 0.02 0.00 0.00 177.57 178.24 2qiq h ILE 213 N -0.16 0.55 -0.01 4.57 2.04 -0.92 -0.32 117.51 123.25 2qiq h ILE 213 Ca -0.01 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2qiq h ILE 213 Cb 0.86 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 2qiq h ILE 213 CO 0.05 0.02 -0.07 -3.20 0.00 0.00 0.00 178.15 174.95 2qiq n ASN 214 N -3.84 1.41 0.00 1.72 5.15 0.05 -4.94 115.26 114.81 2qiq n ASN 214 Ca -0.03 -1.35 0.00 0.00 -0.60 0.00 0.00 54.58 52.60 2qiq n ASN 214 Cb 0.10 0.04 0.00 0.00 -0.53 0.00 0.00 39.78 39.39 2qiq n ASN 214 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2qiq n GLY 215 N 1.23 2.36 3.68 8.20 0.00 -0.13 -4.81 105.19 115.71 2qiq n GLY 215 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 2qiq n GLY 215 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qiq s ASP 216 N -1.87 6.37 -0.01 1.61 -1.08 0.27 -4.94 116.67 117.02 2qiq s ASP 216 Ca 0.00 0.43 0.01 0.00 -0.52 0.00 0.00 52.55 52.47 2qiq s ASP 216 Cb 0.00 -2.19 0.01 0.00 -1.46 0.00 0.00 42.92 39.28 2qiq s ASP 216 CO 0.00 -0.01 0.86 0.54 0.52 0.00 0.00 175.17 177.08 2qiq n ARG 217 N 4.22 1.95 0.31 4.34 1.74 -1.26 -2.78 116.66 125.18 2qiq n ARG 217 Ca -0.11 -1.24 0.18 0.00 -0.77 0.00 0.00 57.85 55.92 2qiq n ARG 217 Cb 0.51 -0.86 1.04 0.00 -1.02 0.00 0.00 32.46 32.14 2qiq n ARG 217 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 2qiq h TRP 218 N 0.00 0.00 0.00 -1.55 5.08 -1.98 -2.70 115.95 114.80 2qiq h TRP 218 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2qiq h TRP 218 Cb 0.69 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.85 2qiq h TRP 218 CO 0.00 0.00 -0.94 1.97 -1.28 0.00 0.00 178.44 178.19 2qiq n PHE 219 N -3.54 0.07 -1.29 0.12 1.16 -1.26 -4.94 117.46 107.78 2qiq n PHE 219 Ca -0.03 0.02 -0.33 0.00 -1.87 0.00 0.00 57.45 55.24 2qiq n PHE 219 Cb 0.08 -0.20 0.11 0.00 -1.61 0.00 0.00 39.48 37.85 2qiq n PHE 219 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2qiq s LEU 220 N -3.33 3.21 0.33 5.98 1.02 -1.02 -4.76 118.68 120.11 2qiq s LEU 220 Ca 0.07 2.28 0.02 0.00 0.02 0.00 0.00 54.13 56.51 2qiq s LEU 220 Cb 0.16 -4.58 -0.01 0.00 0.02 0.00 0.00 46.19 41.78 2qiq s LEU 220 CO 0.81 -2.39 0.38 0.54 0.02 0.00 0.00 176.35 175.71 2qiq s ASN 221 N -2.26 1.20 0.00 2.29 2.20 -1.26 -5.03 114.94 112.08 2qiq s ASN 221 Ca 0.72 -1.60 0.27 0.00 -0.94 0.00 0.00 52.86 51.32 2qiq s ASN 221 Cb -0.27 0.61 0.96 0.00 -2.00 0.00 0.00 41.25 40.55 2qiq s ASN 221 CO 0.48 -1.18 1.69 -2.11 -2.94 0.00 0.00 177.10 173.05 2qiq n ARG 222 N -0.58 0.80 -2.70 3.55 1.85 -1.26 -4.93 116.66 113.40 2qiq n ARG 222 Ca 0.04 -0.40 -0.24 0.00 -1.00 0.00 0.00 57.85 56.24 2qiq n ARG 222 Cb 0.62 -1.49 0.02 0.00 -1.05 0.00 0.00 32.46 30.56 2qiq n ARG 222 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2qiq s PHE 223 N -2.48 3.21 0.39 2.89 0.08 -1.26 -5.12 117.98 115.70 2qiq s PHE 223 Ca 0.27 0.39 0.04 0.00 0.12 0.00 0.00 56.93 57.75 2qiq s PHE 223 Cb 0.20 -2.54 -0.03 0.00 -0.57 0.00 0.00 43.02 40.08 2qiq s PHE 223 CO 0.50 -0.61 0.13 -0.08 -0.10 0.00 0.00 175.22 175.06 2qiq s THR 224 N -2.76 0.59 0.15 0.64 -1.32 -1.26 -4.64 115.64 107.03 2qiq s THR 224 Ca 0.51 -2.00 -0.13 0.00 -1.21 0.00 0.00 61.69 58.87 2qiq s THR 224 Cb -0.10 -2.39 0.01 0.00 -1.51 0.00 0.00 72.50 68.51 2qiq s THR 224 CO 0.41 0.00 0.35 0.28 -2.21 0.00 0.00 174.62 173.45 2qiq s THR 225 N -3.25 0.07 0.32 5.08 -1.32 -1.21 -4.83 115.64 110.51 2qiq s THR 225 Ca 0.26 -1.02 0.02 0.00 -1.21 0.00 0.00 61.69 59.75 2qiq s THR 225 Cb 0.03 -1.53 -0.03 0.00 -1.51 0.00 0.00 72.50 69.46 2qiq s THR 225 CO 0.15 -0.33 0.49 0.42 -2.21 0.00 0.00 174.62 173.15 2qiq s THR 226 N -3.89 4.96 0.17 5.08 -4.23 -1.26 -4.83 115.64 111.64 2qiq s THR 226 Ca 0.10 -0.68 -0.14 0.00 -1.18 0.00 0.00 61.69 59.79 2qiq s THR 226 Cb 0.02 -3.79 0.06 0.00 1.34 0.00 0.00 72.50 70.13 2qiq s THR 226 CO -0.06 -0.43 1.76 0.25 -0.54 0.00 0.00 174.62 175.60 2qiq h LEU 227 N 0.86 0.21 -0.52 4.79 5.85 -1.98 -0.51 115.31 124.02 2qiq h LEU 227 Ca -0.50 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.20 2qiq h LEU 227 Cb 1.23 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 2qiq h LEU 227 CO 0.60 0.16 0.06 -1.13 -0.34 0.00 0.00 178.44 177.79 2qiq h ASN 228 N 0.36 0.84 -0.16 1.25 -1.24 -1.95 -0.86 115.58 113.81 2qiq h ASN 228 Ca 0.20 -0.27 -0.07 0.00 0.71 0.00 0.00 56.30 56.86 2qiq h ASN 228 Cb 0.17 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 38.98 2qiq h ASN 228 CO -0.18 0.90 -0.11 0.44 -1.29 0.00 0.00 177.43 177.19 2qiq h ASP 229 N 0.75 0.51 -0.19 1.15 3.32 -1.89 -2.76 116.42 117.30 2qiq h ASP 229 Ca 0.15 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 2qiq h ASP 229 Cb 0.44 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2qiq h ASP 229 CO 0.01 0.65 0.06 0.15 -1.72 0.00 0.00 179.24 178.40 2qiq h PHE 230 N 0.49 0.31 0.00 4.55 3.57 -0.71 -3.06 116.94 122.09 2qiq h PHE 230 Ca 0.09 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2qiq h PHE 230 Cb 0.49 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.14 2qiq h PHE 230 CO 0.02 0.40 0.00 0.09 -2.23 0.00 0.00 178.31 176.58 2qiq n ASN 231 N -4.80 0.31 0.10 0.41 3.02 -0.36 -1.00 115.26 112.93 2qiq n ASN 231 Ca -0.04 0.61 -0.23 0.00 -0.03 0.00 0.00 54.58 54.89 2qiq n ASN 231 Cb 0.15 -0.66 -0.15 0.00 -0.61 0.00 0.00 39.78 38.50 2qiq n ASN 231 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2qiq h LEU 232 N 0.00 0.68 -0.51 3.41 3.38 -1.41 -2.37 115.31 118.49 2qiq h LEU 232 Ca 0.00 -0.92 -0.10 0.00 0.09 0.00 0.00 57.88 56.94 2qiq h LEU 232 Cb 0.12 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2qiq h LEU 232 CO 0.00 1.67 -0.08 0.58 0.09 0.00 0.00 178.44 180.70 2qiq h VAL 233 N -0.00 1.27 -0.43 1.22 2.07 -1.28 -3.06 116.25 116.03 2qiq h VAL 233 Ca -0.27 -1.21 0.07 0.00 0.82 0.00 0.00 66.70 66.11 2qiq h VAL 233 Cb 2.02 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 32.75 2qiq h VAL 233 CO 0.21 0.42 0.09 0.00 0.02 0.00 0.00 177.57 178.31 2qiq h ALA 234 N 0.91 0.48 -0.73 1.67 0.00 -1.14 -2.16 119.26 118.28 2qiq h ALA 234 Ca 0.13 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2qiq h ALA 234 Cb 0.63 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2qiq h ALA 234 CO 0.04 -0.31 0.41 1.98 0.00 0.00 0.00 179.25 181.37 2qiq h MET 235 N 0.23 1.01 -0.27 0.00 -1.53 -1.38 -0.79 114.93 112.19 2qiq h MET 235 Ca 0.21 -0.10 -0.15 0.00 -3.44 0.00 0.00 59.70 56.22 2qiq h MET 235 Cb 0.26 -0.20 -0.01 0.00 -0.55 0.00 0.00 31.60 31.10 2qiq h MET 235 CO -0.27 0.73 -0.42 0.87 0.14 0.00 0.00 176.91 177.96 2qiq h LYS 236 N 1.02 0.67 -0.62 0.39 1.79 -1.36 -3.17 116.57 115.29 2qiq h LYS 236 Ca 0.26 -0.36 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 2qiq h LYS 236 Cb 0.01 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 2qiq h LYS 236 CO -0.04 0.97 0.00 0.66 -1.08 0.00 0.00 179.45 179.95 2qiq n TYR 237 N -4.03 1.09 -3.53 -1.35 4.01 -0.85 -4.95 117.16 107.55 2qiq n TYR 237 Ca -0.02 -0.45 -0.19 0.00 -0.16 0.00 0.00 57.90 57.08 2qiq n TYR 237 Cb 0.54 -0.15 0.07 0.00 -0.31 0.00 0.00 39.34 39.49 2qiq n TYR 237 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2qiq n ASN 238 N 0.95 -1.91 -4.68 7.72 5.15 -0.73 -4.88 115.26 116.88 2qiq n ASN 238 Ca 0.20 -0.68 -0.29 0.00 -0.60 0.00 0.00 54.58 53.21 2qiq n ASN 238 Cb 0.67 -4.76 -0.08 0.00 -0.53 0.00 0.00 39.78 35.08 2qiq n ASN 238 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2qiq s TYR 239 N -3.46 2.94 0.49 1.20 1.51 -0.38 -1.43 117.35 118.21 2qiq s TYR 239 Ca 0.03 -0.06 -0.23 0.00 -1.01 0.00 0.00 57.07 55.80 2qiq s TYR 239 Cb -0.01 -1.49 -0.07 0.00 -0.11 0.00 0.00 41.96 40.28 2qiq s TYR 239 CO 0.76 0.48 1.22 -1.21 -1.11 0.00 0.00 175.55 175.70 2qiq s GLU 240 N -2.48 3.57 0.40 -0.62 2.02 -0.70 -4.38 118.70 116.51 2qiq s GLU 240 Ca 0.26 1.91 -0.27 0.00 0.02 0.00 0.00 54.97 56.89 2qiq s GLU 240 Cb -0.11 -2.36 -0.10 0.00 0.10 0.00 0.00 34.13 31.66 2qiq s GLU 240 CO 0.18 -0.74 1.39 -2.14 0.02 0.00 0.00 175.26 173.97 2qiq s PRO 241 N -2.76 4.00 0.21 0.39 0.02 -1.26 -4.59 135.00 131.01 2qiq s PRO 241 Ca 0.66 2.36 -0.27 0.00 0.02 0.00 0.00 61.00 63.77 2qiq s PRO 241 Cb -0.32 -2.85 -0.09 0.00 0.02 0.00 0.00 34.50 31.27 2qiq s PRO 241 CO 0.39 -0.54 0.85 -1.17 -0.33 0.00 0.00 177.00 176.20 2qiq s LEU 242 N -2.30 4.59 0.40 -5.54 2.96 -1.26 -5.00 118.68 112.53 2qiq s LEU 242 Ca 0.55 1.77 0.07 0.00 -0.22 0.00 0.00 54.13 56.30 2qiq s LEU 242 Cb -0.42 -3.48 -0.07 0.00 0.50 0.00 0.00 46.19 42.72 2qiq s LEU 242 CO 0.56 0.16 0.08 0.42 -1.32 0.00 0.00 176.35 176.25 2qiq s THR 243 N -1.21 2.20 0.34 3.68 -4.23 -1.26 -4.96 115.64 110.19 2qiq s THR 243 Ca 0.39 -1.87 0.09 0.00 -1.18 0.00 0.00 61.69 59.12 2qiq s THR 243 Cb -0.24 -2.97 0.09 0.00 1.34 0.00 0.00 72.50 70.72 2qiq s THR 243 CO 0.28 -0.02 1.80 -0.61 -0.54 0.00 0.00 174.62 175.53 2qiq h GLN 244 N 1.63 0.19 -0.89 3.99 5.75 -1.99 -2.20 115.11 121.58 2qiq h GLN 244 Ca -0.43 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 57.99 2qiq h GLN 244 Cb 1.25 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.74 2qiq h GLN 244 CO 0.75 0.48 0.51 -0.44 -2.65 0.00 0.00 178.83 177.48 2qiq h ASP 245 N 0.16 1.09 -0.31 -0.69 3.32 -1.99 -0.46 116.42 117.54 2qiq h ASP 245 Ca 0.02 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 2qiq h ASP 245 Cb 0.64 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2qiq h ASP 245 CO 0.05 0.85 -0.01 0.45 -1.72 0.00 0.00 179.24 178.85 2qiq h HIS 246 N 1.23 0.61 -0.66 4.55 3.86 -1.89 -1.25 115.15 121.61 2qiq h HIS 246 Ca 0.32 -0.11 0.07 0.00 -1.16 0.00 0.00 60.37 59.48 2qiq h HIS 246 Cb -0.02 -0.16 -0.06 0.00 1.06 0.00 0.00 27.41 28.24 2qiq h HIS 246 CO 0.01 0.70 0.35 0.28 0.86 0.00 0.00 177.93 180.12 2qiq h VAL 247 N 0.35 0.92 -0.64 2.45 2.07 -1.11 -1.86 116.25 118.43 2qiq h VAL 247 Ca 0.09 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 2qiq h VAL 247 Cb 0.46 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 2qiq h VAL 247 CO 0.02 0.12 0.19 0.44 0.02 0.00 0.00 177.57 178.35 2qiq h ASP 248 N 0.63 0.94 -0.68 0.57 3.32 -0.86 -2.88 116.42 117.46 2qiq h ASP 248 Ca 0.31 -0.21 0.01 0.00 0.02 0.00 0.00 57.03 57.15 2qiq h ASP 248 Cb 0.24 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 2qiq h ASP 248 CO -0.21 0.90 0.45 0.40 -1.72 0.00 0.00 179.24 179.06 2qiq h ILE 249 N 0.93 1.18 0.00 0.35 2.04 -0.85 -1.13 117.51 120.03 2qiq h ILE 249 Ca 0.20 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2qiq h ILE 249 Cb 0.31 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 2qiq h ILE 249 CO -0.00 0.17 0.00 0.18 0.00 0.00 0.00 178.15 178.50 2qiq n LEU 250 N -4.43 0.00 -0.00 1.44 4.77 -0.74 -4.24 117.00 113.80 2qiq n LEU 250 Ca 0.07 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.97 2qiq n LEU 250 Cb 0.04 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.08 2qiq n LEU 250 CO 0.36 0.00 0.50 1.23 -1.33 0.00 0.00 177.39 178.15 2qiq h GLY 251 N 4.67 -1.32 0.25 -0.72 0.00 -1.16 -0.39 103.07 104.40 2qiq h GLY 251 Ca 0.00 0.68 0.10 0.00 0.00 0.00 0.00 47.33 48.11 2qiq h GLY 251 CO 0.00 -0.39 0.13 -2.55 0.00 0.00 0.00 176.54 173.73 2qiq h PRO 252 N -0.31 0.26 -0.24 4.80 0.11 -1.81 0.18 132.00 134.99 2qiq h PRO 252 Ca 0.02 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 2qiq h PRO 252 Cb 0.36 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 2qiq h PRO 252 CO -0.23 0.17 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.61 2qiq h LEU 253 N 0.27 0.35 -0.39 2.35 3.38 -1.82 -1.21 115.31 118.25 2qiq h LEU 253 Ca 0.30 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 2qiq h LEU 253 Cb 0.42 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2qiq h LEU 253 CO -0.37 0.46 -0.10 -1.28 0.09 0.00 0.00 178.44 177.24 2qiq h SER 254 N 0.36 0.75 -0.40 -0.43 0.87 0.15 -2.72 113.55 112.13 2qiq h SER 254 Ca 0.08 -0.37 -0.09 0.00 -1.23 0.00 0.00 61.79 60.18 2qiq h SER 254 Cb 0.33 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2qiq h SER 254 CO 0.01 0.94 -0.11 0.00 -0.53 0.00 0.00 176.83 177.15 2qiq h ALA 255 N 0.83 0.55 -0.48 6.23 0.00 -0.74 0.00 119.26 125.65 2qiq h ALA 255 Ca 0.10 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 2qiq h ALA 255 Cb 0.62 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2qiq h ALA 255 CO 0.04 0.43 0.04 0.37 0.00 0.00 0.00 179.25 180.14 2qiq h GLN 256 N 0.59 0.77 0.00 0.00 4.15 -1.25 -2.94 115.11 116.43 2qiq h GLN 256 Ca 0.10 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.33 2qiq h GLN 256 Cb 0.64 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.23 2qiq h GLN 256 CO 0.04 0.75 -0.86 0.25 -1.93 0.00 0.00 178.83 177.08 2qiq n THR 257 N -4.24 0.06 -1.31 2.39 -2.24 -1.03 -4.98 114.28 102.93 2qiq n THR 257 Ca 0.03 -0.09 -0.11 0.00 -2.27 0.00 0.00 64.05 61.61 2qiq n THR 257 Cb 0.27 0.47 -0.05 0.00 -2.10 0.00 0.00 70.33 68.93 2qiq n THR 257 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qiq n GLY 258 N 1.45 1.15 3.49 3.38 0.00 -0.05 -5.00 105.19 109.61 2qiq n GLY 258 Ca 0.04 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 2qiq n GLY 258 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qiq s ILE 259 N -2.20 4.37 0.48 -0.61 1.01 -1.00 -5.02 121.20 118.23 2qiq s ILE 259 Ca 0.00 -0.16 -0.23 0.00 0.00 0.00 0.00 60.65 60.26 2qiq s ILE 259 Cb 0.00 -3.02 -0.07 0.00 0.01 0.00 0.00 42.46 39.38 2qiq s ILE 259 CO 0.00 0.37 1.30 0.00 0.00 0.00 0.00 174.94 176.61 2qiq s ALA 260 N 1.29 3.02 0.13 9.38 0.00 -1.26 -4.53 121.76 129.79 2qiq s ALA 260 Ca 0.05 1.22 -0.21 0.00 0.00 0.00 0.00 51.96 53.02 2qiq s ALA 260 Cb -0.15 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 2qiq s ALA 260 CO 0.03 -1.03 1.69 0.28 0.00 0.00 0.00 175.76 176.73 2qiq h VAL 261 N 1.90 0.70 0.00 0.00 2.07 -1.93 0.42 116.25 119.42 2qiq h VAL 261 Ca -0.50 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 2qiq h VAL 261 Cb 1.27 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2qiq h VAL 261 CO 0.60 0.00 -0.08 -0.07 0.02 0.00 0.00 177.57 178.04 2qiq h LEU 262 N -0.08 0.00 -0.11 2.57 3.38 -1.92 0.28 115.31 119.44 2qiq h LEU 262 Ca 0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2qiq h LEU 262 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2qiq h LEU 262 CO -0.23 0.08 -0.17 0.44 0.09 0.00 0.00 178.44 178.65 2qiq h ASP 263 N 0.00 0.34 -0.75 -0.43 3.32 -1.51 -0.71 116.42 116.69 2qiq h ASP 263 Ca -0.00 -0.53 0.06 0.00 0.02 0.00 0.00 57.03 56.58 2qiq h ASP 263 Cb 0.41 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.82 2qiq h ASP 263 CO 0.01 0.81 0.49 -0.03 -1.72 0.00 0.00 179.24 178.80 2qiq h MET 264 N -0.12 0.77 -0.51 3.56 4.05 0.16 -0.49 114.93 122.35 2qiq h MET 264 Ca 0.01 -0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.28 2qiq h MET 264 Cb 0.74 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.35 2qiq h MET 264 CO 0.04 0.51 -0.08 0.00 0.23 0.00 0.00 176.91 177.61 2qiq h ALA 266 N 1.06 0.79 -0.33 0.00 0.00 -0.35 0.22 119.26 120.65 2qiq h ALA 266 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2qiq h ALA 266 Cb 0.61 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2qiq h ALA 266 CO 0.04 0.14 0.21 0.00 0.00 0.00 0.00 179.25 179.64 2qiq h ALA 267 N 1.26 0.41 -0.49 0.00 0.00 -0.29 -2.22 119.26 117.92 2qiq h ALA 267 Ca 0.24 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2qiq h ALA 267 Cb -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2qiq h ALA 267 CO -0.09 -0.13 0.25 1.25 0.00 0.00 0.00 179.25 180.53 2qiq h LEU 268 N 0.43 0.63 -1.03 0.00 5.85 -0.65 -1.67 115.31 118.87 2qiq h LEU 268 Ca 0.12 -0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.83 2qiq h LEU 268 Cb -0.04 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 40.75 2qiq h LEU 268 CO -0.03 0.57 0.63 0.50 -0.34 0.00 0.00 178.44 179.77 2qiq h LYS 269 N 0.65 1.00 -0.50 1.25 3.64 -0.77 0.52 116.57 122.36 2qiq h LYS 269 Ca 0.17 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 2qiq h LYS 269 Cb 0.09 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 2qiq h LYS 269 CO -0.02 0.66 -0.05 1.49 -2.27 0.00 0.00 179.45 179.25 2qiq h GLU 270 N 1.03 0.92 -0.75 1.90 4.81 -1.04 -0.99 114.58 120.45 2qiq h GLU 270 Ca 0.47 -0.32 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 2qiq h GLU 270 Cb 0.41 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 2qiq h GLU 270 CO -0.23 0.97 0.32 -0.07 -0.73 0.00 0.00 179.01 179.27 2qiq h LEU 271 N 0.78 1.01 -0.34 1.64 3.38 -0.52 -0.40 115.31 120.85 2qiq h LEU 271 Ca 0.14 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2qiq h LEU 271 Cb 0.59 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2qiq h LEU 271 CO 0.04 0.88 -0.26 -0.07 0.09 0.00 0.00 178.44 179.11 2qiq h LEU 272 N 1.08 0.82 -0.00 1.67 3.38 -0.69 -1.48 115.31 120.09 2qiq h LEU 272 Ca 0.26 -0.44 -0.23 0.00 0.09 0.00 0.00 57.88 57.55 2qiq h LEU 272 Cb 0.17 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2qiq h LEU 272 CO -0.03 1.09 -1.06 1.56 0.09 0.00 0.00 178.44 180.09 2qiq h GLN 273 N 0.55 0.11 -0.01 1.13 4.20 -1.07 -3.34 115.11 116.69 2qiq h GLN 273 Ca 0.06 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.60 2qiq h GLN 273 Cb 0.83 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.67 2qiq h GLN 273 CO 0.07 1.06 -0.31 0.09 -0.67 0.00 0.00 178.83 179.07 2qiq n ASN 274 N -3.45 1.38 -0.42 1.46 5.03 -0.17 -5.09 115.26 114.00 2qiq n ASN 274 Ca -0.03 -1.19 0.00 0.00 0.87 0.00 0.00 54.58 54.23 2qiq n ASN 274 Cb 0.95 0.51 0.00 0.00 -1.02 0.00 0.00 39.78 40.22 2qiq n ASN 274 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2qiq n GLY 275 N 1.06 -1.54 0.33 7.41 0.00 -0.56 -4.53 105.19 107.36 2qiq n GLY 275 Ca 0.05 -1.23 0.07 0.00 0.00 0.00 0.00 46.02 44.91 2qiq n GLY 275 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2qiq n MET 276 N -0.84 1.77 -2.39 1.61 2.81 -1.26 -4.66 117.12 114.16 2qiq n MET 276 Ca 0.00 -0.77 -0.18 0.00 -1.81 0.00 0.00 57.70 54.94 2qiq n MET 276 Cb 0.00 -1.22 0.02 0.00 -0.71 0.00 0.00 33.22 31.31 2qiq n MET 276 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2qiq n ASN 277 N -0.13 -2.61 0.00 7.83 2.04 -1.26 -2.25 115.26 118.88 2qiq n ASN 277 Ca 0.06 -0.15 0.00 0.00 -0.44 0.00 0.00 54.58 54.05 2qiq n ASN 277 Cb 0.30 -0.78 0.00 0.00 -2.53 0.00 0.00 39.78 36.77 2qiq n ASN 277 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2qiq n GLY 278 N -0.26 1.87 3.97 4.83 0.00 -1.26 -4.95 105.19 109.39 2qiq n GLY 278 Ca -0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 2qiq n GLY 278 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qiq s ARG 279 N 0.00 2.86 0.07 1.61 0.52 -0.95 -5.11 118.95 117.96 2qiq s ARG 279 Ca 0.00 -0.78 0.07 0.00 -0.52 0.00 0.00 55.73 54.50 2qiq s ARG 279 Cb 0.00 -2.61 -0.03 0.00 0.52 0.00 0.00 34.95 32.83 2qiq s ARG 279 CO 0.00 -0.36 -0.19 0.95 0.02 0.00 0.00 175.30 175.72 2qiq s THR 280 N -2.53 1.52 -0.15 0.02 -4.23 -1.26 -4.66 115.64 104.35 2qiq s THR 280 Ca 0.52 -1.35 -0.00 0.00 -1.18 0.00 0.00 61.69 59.68 2qiq s THR 280 Cb -0.10 -1.38 -0.01 0.00 1.34 0.00 0.00 72.50 72.35 2qiq s THR 280 CO 0.36 -0.02 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.66 2qiq s ILE 281 N -1.05 2.85 -1.58 2.99 1.01 0.35 -4.68 121.20 121.09 2qiq s ILE 281 Ca 0.05 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 59.96 2qiq s ILE 281 Cb -0.09 -2.21 0.03 0.00 0.01 0.00 0.00 42.46 40.19 2qiq s ILE 281 CO 0.03 0.51 0.06 0.18 0.00 0.00 0.00 174.94 175.72 2qiq n LEU 282 N 3.91 -0.94 0.00 2.97 4.77 -1.26 -0.42 117.00 126.03 2qiq n LEU 282 Ca -0.19 -1.27 0.00 0.00 -0.03 0.00 0.00 56.01 54.52 2qiq n LEU 282 Cb 0.52 -1.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.02 2qiq n LEU 282 CO 0.29 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 2qiq n GLY 283 N -2.42 2.45 3.91 -0.72 0.00 -1.26 -4.76 105.19 102.37 2qiq n GLY 283 Ca -0.28 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 2qiq n GLY 283 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qiq s SER 284 N -2.82 6.37 0.00 1.61 0.15 0.44 -4.98 113.70 114.46 2qiq s SER 284 Ca 0.00 0.34 0.26 0.00 0.70 0.00 0.00 55.95 57.25 2qiq s SER 284 Cb 0.00 -2.00 0.58 0.00 -1.71 0.00 0.00 66.02 62.89 2qiq s SER 284 CO 0.00 0.25 1.47 0.35 1.20 0.00 0.00 173.24 176.51 2qiq n THR 285 N 0.88 0.00 -4.40 6.45 -2.24 -1.26 -0.49 114.28 113.21 2qiq n THR 285 Ca -0.10 -0.32 -0.20 0.00 -2.27 0.00 0.00 64.05 61.16 2qiq n THR 285 Cb 0.52 0.93 -0.10 0.00 -2.10 0.00 0.00 70.33 69.58 2qiq n THR 285 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2qiq s ILE 286 N -2.13 1.50 -0.37 2.28 -4.36 -1.26 -4.94 121.20 111.92 2qiq s ILE 286 Ca 0.30 -2.10 -0.24 0.00 -0.26 0.00 0.00 60.65 58.35 2qiq s ILE 286 Cb 0.20 -2.41 0.01 0.00 1.25 0.00 0.00 42.46 41.51 2qiq s ILE 286 CO 0.38 -0.32 0.83 -0.76 0.24 0.00 0.00 174.94 175.32 2qiq s LEU 287 N -3.41 4.09 -0.04 0.37 1.43 -1.26 -4.86 118.68 115.00 2qiq s LEU 287 Ca 0.29 0.41 -0.29 0.00 -1.03 0.00 0.00 54.13 53.51 2qiq s LEU 287 Cb 0.04 -3.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.13 2qiq s LEU 287 CO 0.11 -0.79 0.96 -0.70 0.23 0.00 0.00 176.35 176.16 2qiq s GLU 288 N 3.25 4.51 -0.09 1.70 2.56 -1.26 -4.96 118.70 124.40 2qiq s GLU 288 Ca 0.34 1.36 0.14 0.00 0.00 0.00 0.00 54.97 56.80 2qiq s GLU 288 Cb -0.13 -3.48 0.21 0.00 2.00 0.00 0.00 34.13 32.73 2qiq s GLU 288 CO 0.18 -0.12 1.11 -0.40 -0.56 0.00 0.00 175.26 175.47 2qiq n ASP 289 N 4.22 2.25 -1.06 -1.70 5.75 -1.26 -3.66 116.55 121.09 2qiq n ASP 289 Ca 0.06 -2.78 0.01 0.00 -0.01 0.00 0.00 54.79 52.07 2qiq n ASP 289 Cb 0.50 -0.31 0.23 0.00 -1.03 0.00 0.00 41.12 40.51 2qiq n ASP 289 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2qiq n GLU 290 N -1.18 2.36 -4.40 0.11 1.02 -1.26 -4.68 120.64 112.61 2qiq n GLU 290 Ca 0.12 -3.00 -0.32 0.00 -0.02 0.00 0.00 57.16 53.93 2qiq n GLU 290 Cb 0.53 -1.84 -0.16 0.00 -0.02 0.00 0.00 31.44 29.95 2qiq n GLU 290 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2qiq s PHE 291 N -3.05 2.60 0.77 -0.32 0.08 -1.26 -4.84 117.98 111.95 2qiq s PHE 291 Ca 0.44 -1.40 -0.12 0.00 0.12 0.00 0.00 56.93 55.97 2qiq s PHE 291 Cb 0.38 -1.79 0.05 0.00 -0.57 0.00 0.00 43.02 41.08 2qiq s PHE 291 CO 0.05 -0.67 1.12 0.95 -0.10 0.00 0.00 175.22 176.57 2qiq s THR 292 N 1.06 2.89 0.43 0.64 -4.23 -1.26 -4.51 115.64 110.67 2qiq s THR 292 Ca -0.02 0.29 0.14 0.00 -1.18 0.00 0.00 61.69 60.93 2qiq s THR 292 Cb -0.14 -3.23 0.33 0.00 1.34 0.00 0.00 72.50 70.80 2qiq s THR 292 CO -0.07 -0.38 1.97 -0.65 -0.54 0.00 0.00 174.62 174.95 2qiq h PRO 293 N -0.90 0.39 -0.34 3.99 0.11 -1.90 -1.00 132.00 132.35 2qiq h PRO 293 Ca -0.46 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 2qiq h PRO 293 Cb 1.28 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2qiq h PRO 293 CO 0.64 0.26 -0.37 0.35 -0.21 0.00 0.00 178.00 178.66 2qiq h PHE 294 N 0.40 0.93 -0.80 0.65 3.57 -1.97 -2.68 116.94 117.05 2qiq h PHE 294 Ca 0.30 -0.27 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 2qiq h PHE 294 Cb 0.61 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 2qiq h PHE 294 CO -0.00 1.04 0.36 -0.44 -2.23 0.00 0.00 178.31 177.03 2qiq h ASP 295 N 0.65 1.06 0.23 0.41 3.32 -1.69 -2.46 116.42 117.93 2qiq h ASP 295 Ca 0.06 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 2qiq h ASP 295 Cb 0.92 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.20 2qiq h ASP 295 CO 0.08 0.92 -0.11 0.58 -1.72 0.00 0.00 179.24 178.99 2qiq h VAL 296 N 1.14 0.83 -0.30 -1.35 2.07 -1.10 -1.75 116.25 115.80 2qiq h VAL 296 Ca 0.27 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.49 2qiq h VAL 296 Cb 0.16 1.04 -0.08 0.00 -1.52 0.00 0.00 31.29 30.89 2qiq h VAL 296 CO -0.03 0.08 -0.47 0.58 0.02 0.00 0.00 177.57 177.75 2qiq h VAL 297 N -0.48 0.08 -0.78 2.57 2.07 -1.43 0.52 116.25 118.81 2qiq h VAL 297 Ca -0.03 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.54 2qiq h VAL 297 Cb 0.36 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 2qiq h VAL 297 CO 0.05 0.00 0.48 0.08 0.02 0.00 0.00 177.57 178.20 2qiq h ARG 298 N -0.42 0.88 -0.00 1.57 0.11 -1.32 -1.37 114.38 113.83 2qiq h ARG 298 Ca 0.10 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.12 2qiq h ARG 298 Cb 0.61 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 31.50 2qiq h ARG 298 CO -0.51 0.58 -0.15 0.94 0.10 0.00 0.00 179.97 180.92 2qiq n GLN 299 N -4.65 0.38 -2.18 0.08 7.27 -0.67 -3.31 117.38 114.30 2qiq n GLN 299 Ca 0.10 -0.12 -0.28 0.00 0.07 0.00 0.00 57.00 56.76 2qiq n GLN 299 Cb 0.13 -1.50 0.02 0.00 2.41 0.00 0.00 30.24 31.30 2qiq n GLN 299 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13