#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3giq s LYS 6 N 0.00 4.32 0.45 3.49 2.20 -1.26 -4.96 119.74 123.97 3giq s LYS 6 Ca 0.00 0.48 -0.24 0.00 -0.36 0.00 0.00 55.97 55.85 3giq s LYS 6 Cb 0.00 -3.46 -0.07 0.00 -1.51 0.00 0.00 37.83 32.78 3giq s LYS 6 CO 0.00 0.08 1.26 -0.51 -0.36 0.00 0.00 175.35 175.82 3giq s LEU 7 N 0.86 4.07 0.06 5.43 1.43 -1.05 -4.90 118.68 124.58 3giq s LEU 7 Ca 0.27 2.54 -0.13 0.00 -1.03 0.00 0.00 54.13 55.77 3giq s LEU 7 Cb -0.15 -4.10 -0.29 0.00 0.03 0.00 0.00 46.19 41.68 3giq s LEU 7 CO 0.11 -1.00 1.09 0.44 0.23 0.00 0.00 176.35 177.22 3giq h ASP 8 N 2.23 0.81 -5.06 2.29 3.45 -0.64 -0.98 116.42 118.52 3giq h ASP 8 Ca -0.50 -0.78 -0.15 0.00 0.43 0.00 0.00 57.03 56.04 3giq h ASP 8 Cb 1.26 -0.26 -0.19 0.00 -0.56 0.00 0.00 39.33 39.58 3giq h ASP 8 CO 0.61 1.59 -0.63 0.12 -1.57 0.00 0.00 179.24 179.36 3giq s PHE 9 N -2.87 0.27 -0.12 4.55 5.36 -0.84 -1.90 117.98 122.43 3giq s PHE 9 Ca -0.08 -0.59 -0.05 0.00 -0.96 0.00 0.00 56.93 55.24 3giq s PHE 9 Cb 0.06 -0.20 0.05 0.00 -0.34 0.00 0.00 43.02 42.58 3giq s PHE 9 CO 0.93 -0.28 0.26 0.21 -1.46 0.00 0.00 175.22 174.88 3giq s LYS 10 N -2.25 0.20 -0.31 10.12 2.20 -0.26 -0.53 119.74 128.92 3giq s LYS 10 Ca -0.08 0.61 0.01 0.00 -0.36 0.00 0.00 55.97 56.15 3giq s LYS 10 Cb -0.04 -0.09 0.07 0.00 -1.51 0.00 0.00 37.83 36.27 3giq s LYS 10 CO -0.03 -0.20 -0.00 0.42 -0.36 0.00 0.00 175.35 175.17 3giq s ILE 11 N 1.61 2.57 0.32 5.43 1.01 0.08 -0.34 121.20 131.88 3giq s ILE 11 Ca -0.06 -1.77 0.09 0.00 0.00 0.00 0.00 60.65 58.90 3giq s ILE 11 Cb -0.11 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 3giq s ILE 11 CO -0.09 -0.26 0.08 0.42 0.00 0.00 0.00 174.94 175.10 3giq s THR 12 N 1.11 3.11 0.00 2.92 -4.23 -0.54 -0.97 115.64 117.05 3giq s THR 12 Ca -0.01 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 3giq s THR 12 Cb -0.20 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.71 3giq s THR 12 CO -0.04 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 3giq n GLY 13 N -1.05 2.50 2.31 3.99 0.00 -1.26 0.79 105.19 112.47 3giq n GLY 13 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 3giq n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3giq n GLY 14 N -2.00 1.41 3.52 -0.02 0.00 -1.15 -3.87 105.19 103.08 3giq n GLY 14 Ca 0.00 -2.11 -0.35 0.00 0.00 0.00 0.00 46.02 43.56 3giq n GLY 14 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3giq s TRP 15 N -1.39 3.11 -0.15 1.61 0.52 -0.35 -2.96 118.94 119.33 3giq s TRP 15 Ca 0.38 -0.25 -0.24 0.00 0.02 0.00 0.00 56.10 56.00 3giq s TRP 15 Cb -0.03 -2.08 -0.02 0.00 -1.15 0.00 0.00 33.47 30.19 3giq s TRP 15 CO 0.24 -0.10 0.76 0.42 0.02 0.00 0.00 176.95 178.30 3giq s ILE 16 N 0.78 4.95 -0.37 2.03 -1.09 0.74 -0.47 121.20 127.77 3giq s ILE 16 Ca 0.01 1.51 0.04 0.00 -2.23 0.00 0.00 60.65 59.98 3giq s ILE 16 Cb -0.14 -4.08 0.11 0.00 -1.58 0.00 0.00 42.46 36.77 3giq s ILE 16 CO 0.02 0.10 0.09 -0.63 -1.23 0.00 0.00 174.94 173.30 3giq s ILE 17 N 1.74 2.23 -1.93 2.92 1.01 -0.27 -1.62 121.20 125.28 3giq s ILE 17 Ca 0.36 -2.46 0.22 0.00 0.00 0.00 0.00 60.65 58.78 3giq s ILE 17 Cb -0.17 -2.63 0.61 0.00 0.01 0.00 0.00 42.46 40.28 3giq s ILE 17 CO 0.14 -0.64 1.72 -0.90 0.00 0.00 0.00 174.94 175.25 3giq n ASP 18 N 4.08 0.00 0.00 3.58 5.68 -1.26 -4.01 116.55 124.61 3giq n ASP 18 Ca 0.04 -0.62 0.00 0.00 -0.50 0.00 0.00 54.79 53.71 3giq n ASP 18 Cb 0.40 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 3giq n ASP 18 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3giq n GLY 19 N 0.42 1.77 0.03 6.12 0.00 -1.26 -1.65 105.19 110.62 3giq n GLY 19 Ca 0.16 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.33 3giq n GLY 19 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3giq n THR 20 N -2.00 0.00 0.00 2.61 -2.24 -1.26 -4.28 114.28 107.11 3giq n THR 20 Ca 0.00 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3giq n THR 20 Cb 0.00 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 3giq n THR 20 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3giq n GLY 21 N 1.30 0.85 3.75 3.38 0.00 -1.26 -5.05 105.19 108.17 3giq n GLY 21 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3giq n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3giq s ALA 22 N -2.25 2.43 0.58 4.61 0.00 -1.26 -4.83 121.76 121.03 3giq s ALA 22 Ca 0.00 0.87 -0.20 0.00 0.00 0.00 0.00 51.96 52.63 3giq s ALA 22 Cb 0.00 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 3giq s ALA 22 CO 0.00 -1.35 1.29 -2.30 0.00 0.00 0.00 175.76 173.40 3giq n PRO 23 N -2.03 1.44 -1.71 0.00 -0.02 -1.26 -4.77 135.00 126.65 3giq n PRO 23 Ca 0.13 0.54 -0.38 0.00 -2.02 0.00 0.00 63.50 61.76 3giq n PRO 23 Cb 0.50 -2.50 0.05 0.00 -0.02 0.00 0.00 33.50 31.53 3giq n PRO 23 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3giq n ARG 24 N -1.20 1.45 -3.90 -0.52 1.85 -1.26 -4.92 116.66 108.15 3giq n ARG 24 Ca 0.12 0.54 -0.11 0.00 -1.00 0.00 0.00 57.85 57.40 3giq n ARG 24 Cb 0.46 -2.48 -0.13 0.00 -1.05 0.00 0.00 32.46 29.26 3giq n ARG 24 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 3giq s ARG 25 N -2.91 0.16 -0.31 2.89 1.70 -0.64 -4.92 118.95 114.92 3giq s ARG 25 Ca 0.74 -0.21 -0.29 0.00 -0.47 0.00 0.00 55.73 55.50 3giq s ARG 25 Cb -0.42 0.06 0.00 0.00 -0.57 0.00 0.00 34.95 34.02 3giq s ARG 25 CO 0.48 -0.03 1.34 0.50 -1.08 0.00 0.00 175.30 176.51 3giq s ARG 26 N -0.57 3.85 0.03 3.89 3.00 -1.26 -0.18 118.95 127.70 3giq s ARG 26 Ca -0.06 1.22 -0.28 0.00 -1.00 0.00 0.00 55.73 55.61 3giq s ARG 26 Cb -0.04 -3.91 0.09 0.00 0.00 0.00 0.00 34.95 31.09 3giq s ARG 26 CO -0.00 -1.20 0.89 0.00 0.00 0.00 0.00 175.30 174.98 3giq s ALA 27 N 4.60 -1.78 0.20 6.12 0.00 -1.16 -4.96 121.76 124.78 3giq s ALA 27 Ca 0.58 0.83 0.02 0.00 0.00 0.00 0.00 51.96 53.39 3giq s ALA 27 Cb -0.17 0.48 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 3giq s ALA 27 CO 0.25 -0.76 0.34 -0.51 0.00 0.00 0.00 175.76 175.09 3giq s ASP 28 N -2.58 6.34 -0.13 0.00 1.01 0.11 -4.38 116.67 117.05 3giq s ASP 28 Ca 0.06 0.22 0.02 0.00 0.71 0.00 0.00 52.55 53.56 3giq s ASP 28 Cb -0.01 -1.93 -0.00 0.00 1.01 0.00 0.00 42.92 41.99 3giq s ASP 28 CO -0.07 -0.02 -0.19 -0.22 0.21 0.00 0.00 175.17 174.88 3giq s LEU 29 N -3.50 2.35 -0.08 1.23 2.96 -0.14 -1.20 118.68 120.30 3giq s LEU 29 Ca 0.36 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 3giq s LEU 29 Cb -0.10 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 3giq s LEU 29 CO 0.29 0.13 -0.11 -0.83 -1.32 0.00 0.00 176.35 174.52 3giq s GLY 30 N 0.52 1.60 0.03 7.98 0.00 0.56 -0.74 107.32 117.27 3giq s GLY 30 Ca -0.12 -0.92 0.08 0.00 0.00 0.00 0.00 44.72 43.77 3giq s GLY 30 CO 0.05 -0.55 -0.25 0.14 0.00 0.00 0.00 173.10 172.49 3giq s VAL 31 N -0.43 1.98 -0.26 1.40 1.01 0.31 -0.08 120.40 124.33 3giq s VAL 31 Ca 0.06 -1.26 -0.17 0.00 0.00 0.00 0.00 61.98 60.61 3giq s VAL 31 Cb -0.12 -1.68 0.07 0.00 0.00 0.00 0.00 36.38 34.65 3giq s VAL 31 CO 0.02 0.37 0.64 -0.60 0.00 0.00 0.00 175.10 175.54 3giq s ARG 32 N -1.06 0.68 -1.45 2.72 3.52 0.09 0.14 118.95 123.59 3giq s ARG 32 Ca 0.10 1.10 -0.09 0.00 -0.13 0.00 0.00 55.73 56.71 3giq s ARG 32 Cb -0.10 0.17 0.04 0.00 -1.56 0.00 0.00 34.95 33.50 3giq s ARG 32 CO 0.01 -0.14 0.91 -0.25 -0.81 0.00 0.00 175.30 175.02 3giq n ASP 33 N 3.97 -5.66 0.00 -2.12 8.00 -1.26 -1.80 116.55 117.68 3giq n ASP 33 Ca -0.19 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 54.79 3giq n ASP 33 Cb 0.58 -4.51 0.00 0.00 -0.02 0.00 0.00 41.12 37.16 3giq n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3giq n GLY 34 N -1.72 1.35 3.51 0.44 0.00 -1.26 -5.00 105.19 102.51 3giq n GLY 34 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 3giq n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3giq s ARG 35 N -0.10 1.75 -0.36 1.61 0.52 -0.75 -0.63 118.95 120.99 3giq s ARG 35 Ca 0.00 -1.87 -0.29 0.00 -0.52 0.00 0.00 55.73 53.05 3giq s ARG 35 Cb 0.00 -1.67 0.01 0.00 0.52 0.00 0.00 34.95 33.81 3giq s ARG 35 CO 0.00 0.18 1.26 0.42 0.02 0.00 0.00 175.30 177.18 3giq s ILE 36 N -2.62 4.16 0.03 1.52 1.01 0.13 -0.73 121.20 124.70 3giq s ILE 36 Ca 0.31 1.27 -0.12 0.00 0.00 0.00 0.00 60.65 62.11 3giq s ILE 36 Cb 0.01 -4.30 -0.33 0.00 0.01 0.00 0.00 42.46 37.84 3giq s ILE 36 CO 0.16 -0.65 1.01 0.00 0.00 0.00 0.00 174.94 175.45 3giq h ALA 37 N 9.39 -0.06 -2.30 9.38 0.00 -0.78 0.21 119.26 135.10 3giq h ALA 37 Ca -0.25 -0.90 0.09 0.00 0.00 0.00 0.00 54.91 53.85 3giq h ALA 37 Cb 1.09 0.16 -0.15 0.00 0.00 0.00 0.00 17.79 18.88 3giq h ALA 37 CO 1.06 0.80 0.46 0.00 0.00 0.00 0.00 179.25 181.58 3giq s ALA 38 N -2.61 -1.81 -0.11 0.00 0.00 -1.17 -4.79 121.76 111.27 3giq s ALA 38 Ca -0.08 1.01 -0.01 0.00 0.00 0.00 0.00 51.96 52.87 3giq s ALA 38 Cb 0.05 0.38 0.03 0.00 0.00 0.00 0.00 23.12 23.59 3giq s ALA 38 CO 0.92 -0.66 -0.01 0.42 0.00 0.00 0.00 175.76 176.43 3giq s ILE 39 N -3.01 0.61 -3.95 0.00 1.01 -1.26 -0.32 121.20 114.27 3giq s ILE 39 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.52 3giq s ILE 39 Cb -0.01 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.65 3giq s ILE 39 CO -0.08 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.64 3giq n GLY 40 N 5.06 -0.53 3.64 6.18 0.00 -0.34 -4.91 105.19 114.29 3giq n GLY 40 Ca -0.09 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 3giq n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3giq s GLU 41 N -1.76 4.05 -0.02 1.61 2.56 -1.26 0.04 118.70 123.93 3giq s GLU 41 Ca 0.00 1.09 0.03 0.00 0.00 0.00 0.00 54.97 56.09 3giq s GLU 41 Cb 0.00 -3.75 0.04 0.00 2.00 0.00 0.00 34.13 32.42 3giq s GLU 41 CO 0.00 -0.92 0.85 1.28 -0.56 0.00 0.00 175.26 175.91 3giq n LEU 42 N 6.94 1.12 -0.23 2.70 4.77 -1.26 -4.83 117.00 126.20 3giq n LEU 42 Ca 0.12 -1.34 0.15 0.00 -0.03 0.00 0.00 56.01 54.91 3giq n LEU 42 Cb 0.47 -0.06 0.45 0.00 -2.33 0.00 0.00 43.42 41.95 3giq n LEU 42 CO 0.60 0.33 1.22 1.23 -1.33 0.00 0.00 177.39 179.43 3giq h GLY 43 N 0.00 0.98 1.08 -0.72 0.00 -2.00 -2.34 103.07 100.06 3giq h GLY 43 Ca 0.00 -0.23 -0.29 0.00 0.00 0.00 0.00 47.33 46.81 3giq h GLY 43 CO 0.00 0.05 -1.64 0.00 0.00 0.00 0.00 176.54 174.94 3giq h ALA 44 N 1.62 0.69 -2.27 3.60 0.00 -2.02 -3.46 119.26 117.43 3giq h ALA 44 Ca 0.44 -1.39 -0.54 0.00 0.00 0.00 0.00 54.91 53.41 3giq h ALA 44 Cb 0.90 0.43 0.01 0.00 0.00 0.00 0.00 17.79 19.13 3giq h ALA 44 CO -0.18 1.52 1.23 -1.58 0.00 0.00 0.00 179.25 180.25 3giq s HIS 45 N -2.61 1.45 0.58 0.00 5.04 -0.88 -4.95 115.29 113.92 3giq s HIS 45 Ca -0.05 -0.14 -0.20 0.00 -1.54 0.00 0.00 55.06 53.14 3giq s HIS 45 Cb 0.08 -4.12 -0.04 0.00 0.04 0.00 0.00 32.58 28.54 3giq s HIS 45 CO 0.82 -4.87 1.24 -1.25 -2.34 0.00 0.00 174.74 168.34 3giq s PRO 46 N 4.65 3.04 0.03 2.88 0.04 -1.26 -4.94 135.00 139.43 3giq s PRO 46 Ca 0.86 1.92 -0.15 0.00 0.04 0.00 0.00 61.00 63.67 3giq s PRO 46 Cb -0.38 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.16 3giq s PRO 46 CO 0.38 -1.18 0.32 0.00 0.04 0.00 0.00 177.00 176.56 3giq s ALA 47 N -1.51 -0.76 0.23 8.56 0.00 -1.26 -2.54 121.76 124.47 3giq s ALA 47 Ca 0.76 0.15 0.16 0.00 0.00 0.00 0.00 51.96 53.02 3giq s ALA 47 Cb -0.33 0.25 0.61 0.00 0.00 0.00 0.00 23.12 23.65 3giq s ALA 47 CO 0.36 -0.37 1.72 0.00 0.00 0.00 0.00 175.76 177.47 3giq h ARG 48 N 3.38 0.00 -3.93 0.00 3.08 -1.20 -3.44 114.38 112.26 3giq h ARG 48 Ca -0.31 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.55 3giq h ARG 48 Cb 1.19 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 31.01 3giq h ARG 48 CO 0.44 0.44 -0.71 -1.01 -1.07 0.00 0.00 179.97 178.06 3giq s HIS 49 N -3.68 0.21 -0.12 3.04 3.76 -0.80 -5.01 115.29 112.69 3giq s HIS 49 Ca -0.01 -0.39 -0.10 0.00 -0.15 0.00 0.00 55.06 54.41 3giq s HIS 49 Cb 0.12 -0.15 0.03 0.00 1.11 0.00 0.00 32.58 33.69 3giq s HIS 49 CO 0.71 -0.14 0.31 0.00 -0.85 0.00 0.00 174.74 174.77 3giq s ALA 50 N -1.07 -0.76 -0.04 -1.40 0.00 -1.26 -1.10 121.76 116.13 3giq s ALA 50 Ca -0.12 0.92 0.07 0.00 0.00 0.00 0.00 51.96 52.83 3giq s ALA 50 Cb -0.07 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 3giq s ALA 50 CO -0.01 -0.16 -0.25 -1.58 0.00 0.00 0.00 175.76 173.77 3giq s TRP 51 N 0.32 2.33 -0.49 0.00 0.51 0.54 -4.96 118.94 117.20 3giq s TRP 51 Ca -0.01 -0.59 -0.19 0.00 -2.12 0.00 0.00 56.10 53.18 3giq s TRP 51 Cb -0.03 -1.52 0.05 0.00 -0.81 0.00 0.00 33.47 31.16 3giq s TRP 51 CO -0.01 -0.14 0.61 0.34 -0.51 0.00 0.00 176.95 177.23 3giq s ASP 52 N -0.32 6.24 -0.27 2.95 3.68 -1.26 -1.46 116.67 126.22 3giq s ASP 52 Ca 0.02 -0.80 0.09 0.00 2.13 0.00 0.00 52.55 54.00 3giq s ASP 52 Cb -0.12 -2.29 0.68 0.00 -1.45 0.00 0.00 42.92 39.74 3giq s ASP 52 CO 0.02 -0.84 1.66 0.00 0.13 0.00 0.00 175.17 176.14 3giq n ALA 53 N 6.12 4.19 -1.68 3.66 0.00 0.24 -4.96 120.51 128.07 3giq n ALA 53 Ca -0.06 -1.94 -0.45 0.00 0.00 0.00 0.00 53.44 50.99 3giq n ALA 53 Cb 0.46 -1.20 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 3giq n ALA 53 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3giq n SER 54 N 0.08 3.23 -0.32 0.00 7.64 -1.24 -0.95 113.62 122.06 3giq n SER 54 Ca 0.33 1.09 -0.04 0.00 1.01 0.00 0.00 58.87 61.26 3giq n SER 54 Cb 1.22 -1.46 -0.02 0.00 -1.01 0.00 0.00 64.21 62.94 3giq n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3giq n GLY 55 N 3.20 0.68 3.38 0.23 0.00 -1.26 -4.93 105.19 106.49 3giq n GLY 55 Ca 0.15 -0.41 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 3giq n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3giq s LYS 56 N -1.79 1.50 -0.12 1.61 1.02 -0.12 -4.61 119.74 117.23 3giq s LYS 56 Ca 0.00 -1.81 -0.05 0.00 0.02 0.00 0.00 55.97 54.13 3giq s LYS 56 Cb 0.00 -0.64 -0.04 0.00 -0.52 0.00 0.00 37.83 36.64 3giq s LYS 56 CO 0.00 -0.19 0.08 0.42 -0.92 0.00 0.00 175.35 174.74 3giq s ILE 57 N -3.45 4.98 -0.24 2.17 -1.09 0.86 -1.21 121.20 123.22 3giq s ILE 57 Ca 0.35 0.01 -0.03 0.00 -2.23 0.00 0.00 60.65 58.75 3giq s ILE 57 Cb 0.08 -3.16 0.01 0.00 -1.58 0.00 0.00 42.46 37.81 3giq s ILE 57 CO 0.13 0.58 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.69 3giq s VAL 58 N -0.71 3.10 0.25 2.92 1.01 0.38 -1.31 120.40 126.05 3giq s VAL 58 Ca 0.12 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.30 3giq s VAL 58 Cb -0.12 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 3giq s VAL 58 CO 0.03 0.28 0.10 0.00 0.00 0.00 0.00 175.10 175.51 3giq s ALA 59 N 1.39 1.63 0.60 5.51 0.00 -0.38 -1.12 121.76 129.39 3giq s ALA 59 Ca 0.03 -1.84 -0.18 0.00 0.00 0.00 0.00 51.96 49.97 3giq s ALA 59 Cb -0.16 1.11 -0.03 0.00 0.00 0.00 0.00 23.12 24.05 3giq s ALA 59 CO -0.04 -0.48 1.14 -2.14 0.00 0.00 0.00 175.76 174.24 3giq s PRO 60 N -4.06 3.04 0.63 0.00 0.02 -1.26 -1.34 135.00 132.03 3giq s PRO 60 Ca 0.38 1.58 -0.19 0.00 0.02 0.00 0.00 61.00 62.79 3giq s PRO 60 Cb 0.08 -1.97 -0.02 0.00 0.02 0.00 0.00 34.50 32.61 3giq s PRO 60 CO 0.13 -1.10 1.32 0.20 -0.33 0.00 0.00 177.00 177.22 3giq s GLY 61 N -2.04 2.87 0.35 0.52 0.00 -0.22 -4.37 107.32 104.43 3giq s GLY 61 Ca 0.72 1.26 -0.26 0.00 0.00 0.00 0.00 44.72 46.44 3giq s GLY 61 CO 0.34 1.71 1.00 -1.36 0.00 0.00 0.00 173.10 174.79 3giq s PHE 62 N -1.36 3.51 -0.35 1.90 0.08 -0.51 -4.70 117.98 116.56 3giq s PHE 62 Ca 0.80 1.72 -0.07 0.00 0.12 0.00 0.00 56.93 59.51 3giq s PHE 62 Cb -0.39 -3.04 0.04 0.00 -0.57 0.00 0.00 43.02 39.07 3giq s PHE 62 CO 0.42 -0.20 0.12 0.42 -0.10 0.00 0.00 175.22 175.88 3giq s ILE 63 N -1.58 3.84 -0.73 0.64 1.01 -0.04 -0.85 121.20 123.48 3giq s ILE 63 Ca 0.53 -1.17 -0.25 0.00 0.00 0.00 0.00 60.65 59.75 3giq s ILE 63 Cb -0.21 -3.20 0.05 0.00 0.01 0.00 0.00 42.46 39.10 3giq s ILE 63 CO 0.27 -0.22 1.19 -0.62 0.00 0.00 0.00 174.94 175.56 3giq s ASP 64 N 1.48 6.19 0.03 3.58 -1.08 -0.08 -4.79 116.67 121.99 3giq s ASP 64 Ca -0.01 -0.69 0.23 0.00 -0.52 0.00 0.00 52.55 51.55 3giq s ASP 64 Cb -0.20 -2.51 0.95 0.00 -1.46 0.00 0.00 42.92 39.69 3giq s ASP 64 CO 0.03 -1.69 1.72 1.33 0.52 0.00 0.00 175.17 177.08 3giq n VAL 65 N 6.25 0.49 -3.54 1.11 0.24 -1.22 -1.00 118.33 120.67 3giq n VAL 65 Ca 0.03 0.10 -0.27 0.00 -2.04 0.00 0.00 64.34 62.16 3giq n VAL 65 Cb 0.48 -0.75 -0.10 0.00 -1.47 0.00 0.00 33.84 32.01 3giq n VAL 65 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 3giq n HIS 66 N -1.59 1.78 -4.10 6.34 -0.00 -1.26 -4.59 115.22 111.80 3giq n HIS 66 Ca 0.05 -3.91 -0.24 0.00 -0.00 0.00 0.00 57.72 53.62 3giq n HIS 66 Cb 0.27 -0.36 -0.05 0.00 -0.00 0.00 0.00 29.99 29.85 3giq n HIS 66 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 3giq s GLY 67 N -1.34 1.56 -0.12 1.57 0.00 -0.05 -0.84 107.32 108.10 3giq s GLY 67 Ca 0.32 -1.33 0.17 0.00 0.00 0.00 0.00 44.72 43.89 3giq s GLY 67 CO -0.13 -1.35 1.19 1.42 0.00 0.00 0.00 173.10 174.24 3giq n HIS 68 N -0.78 0.00 0.35 1.90 8.25 -1.26 -3.87 115.22 119.81 3giq n HIS 68 Ca -0.08 -1.06 0.03 0.00 -0.26 0.00 0.00 57.72 56.35 3giq n HIS 68 Cb 0.56 -0.20 0.17 0.00 1.12 0.00 0.00 29.99 31.64 3giq n HIS 68 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3giq n ASP 69 N -0.45 2.76 -0.35 0.41 8.00 -1.26 -4.64 116.55 121.01 3giq n ASP 69 Ca 0.13 -2.32 0.09 0.00 0.71 0.00 0.00 54.79 53.41 3giq n ASP 69 Cb 0.88 -0.51 0.19 0.00 -0.02 0.00 0.00 41.12 41.66 3giq n ASP 69 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3giq n ASP 70 N 0.30 -0.28 -0.76 -2.24 10.43 -1.26 -1.11 116.55 121.63 3giq n ASP 70 Ca 0.12 1.71 0.12 0.00 2.57 0.00 0.00 54.79 59.31 3giq n ASP 70 Cb 0.58 -0.55 0.20 0.00 1.84 0.00 0.00 41.12 43.18 3giq n ASP 70 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3giq n LEU 71 N -5.58 2.45 0.26 0.64 4.77 -1.26 -4.41 117.00 113.86 3giq n LEU 71 Ca 0.19 -0.82 0.16 0.00 -0.03 0.00 0.00 56.01 55.50 3giq n LEU 71 Cb 0.59 -0.01 0.59 0.00 -2.33 0.00 0.00 43.42 42.26 3giq n LEU 71 CO -0.10 0.41 0.95 0.24 -1.33 0.00 0.00 177.39 177.56 3giq h MET 72 N 3.72 0.00 0.00 3.23 2.86 -1.40 -1.27 114.93 122.08 3giq h MET 72 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3giq h MET 72 Cb 0.83 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.49 3giq h MET 72 CO 0.00 0.02 -0.04 0.74 1.06 0.00 0.00 176.91 178.69 3giq h PHE 73 N 0.00 0.00 0.00 -0.22 0.04 -1.77 0.24 116.94 115.23 3giq h PHE 73 Ca -0.00 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.54 3giq h PHE 73 Cb 0.61 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.72 3giq h PHE 73 CO 0.00 0.04 -1.88 1.55 -0.60 0.00 0.00 178.31 177.42 3giq n VAL 74 N -3.23 0.88 -0.00 -0.55 3.14 -1.11 -4.27 118.33 113.19 3giq n VAL 74 Ca -0.01 -0.38 -0.18 0.00 -2.96 0.00 0.00 64.34 60.80 3giq n VAL 74 Cb 0.22 -0.97 -0.09 0.00 -1.06 0.00 0.00 33.84 31.94 3giq n VAL 74 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 3giq h GLU 75 N 0.00 0.69 -1.52 1.45 5.08 -1.08 -3.40 114.58 115.80 3giq h GLU 75 Ca -0.35 -0.63 -0.47 0.00 -1.00 0.00 0.00 59.36 56.92 3giq h GLU 75 Cb 1.59 0.15 -0.33 0.00 0.50 0.00 0.00 28.75 30.66 3giq h GLU 75 CO -0.04 1.23 -0.96 1.63 -1.00 0.00 0.00 179.01 179.87 3giq n LYS 76 N -3.99 0.75 -0.29 2.33 5.02 0.80 -5.02 118.16 117.76 3giq n LYS 76 Ca -0.09 -2.87 0.34 0.00 -2.02 0.00 0.00 58.31 53.67 3giq n LYS 76 Cb 0.75 -1.30 0.69 0.00 -0.02 0.00 0.00 35.03 35.16 3giq n LYS 76 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3giq h PRO 77 N 3.91 0.00 -0.21 1.97 0.11 -1.63 -2.70 132.00 133.45 3giq h PRO 77 Ca 0.02 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.10 3giq h PRO 77 Cb 0.92 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 3giq h PRO 77 CO 0.43 0.00 0.01 0.38 -0.21 0.00 0.00 178.00 178.61 3giq h ASP 78 N 0.00 0.28 -5.37 -2.05 2.03 -1.93 -3.39 116.42 105.99 3giq h ASP 78 Ca 0.55 -0.03 -0.29 0.00 -0.73 0.00 0.00 57.03 56.52 3giq h ASP 78 Cb 2.50 -0.07 -0.10 0.00 -0.83 0.00 0.00 39.33 40.83 3giq h ASP 78 CO -0.01 0.33 -0.42 0.18 -1.03 0.00 0.00 179.24 178.29 3giq n LEU 79 N -4.37 -0.93 0.24 0.15 4.77 -1.02 -4.79 117.00 111.05 3giq n LEU 79 Ca 0.00 -0.19 0.10 0.00 -0.03 0.00 0.00 56.01 55.90 3giq n LEU 79 Cb 0.18 -1.72 0.69 0.00 -2.33 0.00 0.00 43.42 40.25 3giq n LEU 79 CO 0.37 0.06 1.09 -0.09 -1.33 0.00 0.00 177.39 177.49 3giq h ARG 80 N -0.53 0.00 0.00 3.23 9.65 -1.89 -0.79 114.38 124.06 3giq h ARG 80 Ca -0.31 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.57 3giq h ARG 80 Cb 1.21 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 3giq h ARG 80 CO 0.41 0.00 0.00 0.11 2.80 0.00 0.00 179.97 183.29 3giq h TRP 81 N 0.00 0.00 0.00 2.20 0.09 -1.89 -1.49 115.95 114.87 3giq h TRP 81 Ca 0.02 0.00 -0.07 0.00 0.09 0.00 0.00 58.89 58.94 3giq h TRP 81 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.33 3giq h TRP 81 CO 0.00 0.00 -0.80 1.63 0.09 0.00 0.00 178.44 179.36 3giq n LYS 82 N -2.72 0.49 -0.21 0.12 4.76 -0.33 -4.31 118.16 115.97 3giq n LYS 82 Ca 0.00 0.50 0.04 0.00 -2.87 0.00 0.00 58.31 55.98 3giq n LYS 82 Cb 0.20 -1.67 0.30 0.00 -1.84 0.00 0.00 35.03 32.02 3giq n LYS 82 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3giq h THR 83 N -1.00 1.08 0.00 -0.18 1.35 -1.47 -1.74 112.91 110.95 3giq h THR 83 Ca -0.10 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 3giq h THR 83 Cb 0.77 0.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.32 3giq h THR 83 CO -0.06 0.16 0.00 -1.54 -0.25 0.00 0.00 175.52 173.83 3giq n SER 84 N -4.46 0.34 -0.42 5.36 3.41 -0.56 -1.83 113.62 115.46 3giq n SER 84 Ca 0.10 0.59 0.07 0.00 -0.26 0.00 0.00 58.87 59.37 3giq n SER 84 Cb 0.16 -0.66 0.16 0.00 -0.26 0.00 0.00 64.21 63.60 3giq n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3giq n GLN 85 N -1.89 2.38 -0.80 4.33 10.64 -0.73 -4.28 117.38 127.04 3giq n GLN 85 Ca 0.02 -2.39 0.00 0.00 -1.83 0.00 0.00 57.00 52.81 3giq n GLN 85 Cb 0.18 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.07 3giq n GLN 85 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3giq n GLY 86 N -0.65 0.60 3.71 2.61 0.00 -0.76 -4.45 105.19 106.25 3giq n GLY 86 Ca 0.14 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3giq n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3giq s ILE 87 N -2.00 4.93 -0.21 -0.61 1.01 -0.75 -1.42 121.20 122.15 3giq s ILE 87 Ca 0.00 1.79 0.05 0.00 0.00 0.00 0.00 60.65 62.49 3giq s ILE 87 Cb 0.00 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 3giq s ILE 87 CO 0.00 0.17 0.20 0.35 0.00 0.00 0.00 174.94 175.66 3giq n THR 88 N 3.97 0.00 -3.81 2.92 -2.24 -0.03 -4.00 114.28 111.10 3giq n THR 88 Ca 0.03 -0.37 -0.12 0.00 -2.27 0.00 0.00 64.05 61.32 3giq n THR 88 Cb 0.51 0.97 -0.12 0.00 -2.10 0.00 0.00 70.33 69.59 3giq n THR 88 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3giq s THR 89 N -1.50 0.01 -0.01 4.28 2.01 -1.15 -0.85 115.64 118.43 3giq s THR 89 Ca 0.02 -0.05 0.02 0.00 0.31 0.00 0.00 61.69 61.99 3giq s THR 89 Cb 0.04 -0.30 -0.01 0.00 0.01 0.00 0.00 72.50 72.24 3giq s THR 89 CO 0.20 -0.03 -0.07 0.54 -0.69 0.00 0.00 174.62 174.56 3giq s VAL 90 N -0.01 0.59 -0.31 3.82 0.11 -0.37 -0.90 120.40 123.33 3giq s VAL 90 Ca -0.01 -0.32 -0.10 0.00 -2.93 0.00 0.00 61.98 58.61 3giq s VAL 90 Cb -0.02 -0.50 -0.02 0.00 -1.53 0.00 0.00 36.38 34.32 3giq s VAL 90 CO 0.00 0.16 0.17 -0.69 -3.33 0.00 0.00 175.10 171.41 3giq s VAL 91 N -0.18 4.80 0.55 2.04 1.01 -0.17 -1.66 120.40 126.78 3giq s VAL 91 Ca 0.03 -0.29 0.07 0.00 0.00 0.00 0.00 61.98 61.79 3giq s VAL 91 Cb -0.03 -3.41 0.05 0.00 0.00 0.00 0.00 36.38 32.99 3giq s VAL 91 CO -0.00 0.10 0.54 0.68 0.00 0.00 0.00 175.10 176.41 3giq s VAL 92 N 1.65 1.84 0.00 2.92 -7.23 -0.32 -0.87 120.40 118.40 3giq s VAL 92 Ca 0.05 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 58.90 3giq s VAL 92 Cb -0.17 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.61 3giq s VAL 92 CO 0.07 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.47 3giq n GLY 93 N -1.93 0.66 3.93 2.32 0.00 -1.25 -1.13 105.19 107.79 3giq n GLY 93 Ca 0.04 -0.78 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 3giq n GLY 93 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3giq s ASN 94 N -2.99 5.59 -1.50 1.61 0.01 -1.21 -4.36 114.94 112.10 3giq s ASN 94 Ca 0.00 0.53 -0.01 0.00 -0.71 0.00 0.00 52.86 52.67 3giq s ASN 94 Cb 0.00 -1.57 0.00 0.00 0.41 0.00 0.00 41.25 40.09 3giq s ASN 94 CO 0.00 -1.00 0.10 0.00 -1.51 0.00 0.00 177.10 174.69 3giq n GLY 96 N -1.02 1.44 3.22 0.00 0.00 -1.23 -3.48 105.19 104.12 3giq n GLY 96 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 3giq n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3giq s VAL 97 N -3.15 2.06 0.23 1.61 -7.23 -0.98 -0.67 120.40 112.27 3giq s VAL 97 Ca 0.00 -1.02 -0.01 0.00 -1.81 0.00 0.00 61.98 59.14 3giq s VAL 97 Cb 0.00 -1.78 -0.03 0.00 0.56 0.00 0.00 36.38 35.13 3giq s VAL 97 CO 0.00 0.56 0.21 -0.94 -0.31 0.00 0.00 175.10 174.62 3giq s SER 98 N 0.33 0.42 0.52 4.85 1.04 -1.26 -3.35 113.70 116.25 3giq s SER 98 Ca -0.19 -1.40 0.29 0.00 0.48 0.00 0.00 55.95 55.13 3giq s SER 98 Cb -0.18 0.45 1.38 0.00 0.10 0.00 0.00 66.02 67.77 3giq s SER 98 CO 0.09 -0.94 2.02 0.00 0.98 0.00 0.00 173.24 175.39 3giq h ALA 99 N 2.47 1.15 -2.63 5.32 0.00 -1.91 -3.45 119.26 120.21 3giq h ALA 99 Ca -0.33 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 3giq h ALA 99 Cb 1.25 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.87 3giq h ALA 99 CO 0.47 0.15 -0.14 0.00 0.00 0.00 0.00 179.25 179.74 3giq s ALA 100 N -3.97 -0.84 0.76 0.00 0.00 -1.26 -0.53 121.76 115.92 3giq s ALA 100 Ca -0.02 -0.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.82 3giq s ALA 100 Cb 0.12 0.52 0.04 0.00 0.00 0.00 0.00 23.12 23.80 3giq s ALA 100 CO 0.58 -0.54 1.12 -1.25 0.00 0.00 0.00 175.76 175.67 3giq s PRO 101 N -3.26 2.44 0.37 0.00 0.04 -1.26 -4.33 135.00 129.00 3giq s PRO 101 Ca -0.00 0.37 -0.25 0.00 0.04 0.00 0.00 61.00 61.16 3giq s PRO 101 Cb 0.01 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 3giq s PRO 101 CO -0.08 -1.32 1.02 0.00 0.04 0.00 0.00 177.00 176.67 3giq s ALA 102 N -3.40 3.15 0.76 8.56 0.00 0.03 -4.83 121.76 126.03 3giq s ALA 102 Ca 0.60 0.66 -0.11 0.00 0.00 0.00 0.00 51.96 53.11 3giq s ALA 102 Cb -0.12 -3.25 0.05 0.00 0.00 0.00 0.00 23.12 19.80 3giq s ALA 102 CO 0.51 -0.10 1.08 -1.25 0.00 0.00 0.00 175.76 176.01 3giq s PRO 103 N -2.30 2.36 0.69 0.00 0.04 -1.26 -4.41 135.00 130.11 3giq s PRO 103 Ca 0.55 1.00 -0.14 0.00 0.04 0.00 0.00 61.00 62.44 3giq s PRO 103 Cb -0.22 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.42 3giq s PRO 103 CO 0.27 -1.52 1.12 -0.51 0.04 0.00 0.00 177.00 176.41 3giq s LEU 104 N -5.81 3.32 0.18 -3.56 1.43 0.15 -4.86 118.68 109.53 3giq s LEU 104 Ca 0.60 2.04 -0.33 0.00 -1.03 0.00 0.00 54.13 55.41 3giq s LEU 104 Cb -0.16 -4.55 -0.14 0.00 0.03 0.00 0.00 46.19 41.36 3giq s LEU 104 CO 0.56 -1.82 1.44 -2.65 0.23 0.00 0.00 176.35 174.10 3giq n PRO 105 N -2.64 1.84 0.00 1.29 -0.02 -1.26 -1.30 135.00 132.91 3giq n PRO 105 Ca 0.11 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3giq n PRO 105 Cb 0.52 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 3giq n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3giq n GLY 106 N 2.71 2.18 3.73 -1.23 0.00 -1.26 -5.03 105.19 106.29 3giq n GLY 106 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 3giq n GLY 106 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3giq s ASN 107 N -2.27 6.79 0.27 1.61 0.01 -0.42 -5.05 114.94 115.87 3giq s ASN 107 Ca 0.00 0.94 -0.07 0.00 -0.71 0.00 0.00 52.86 53.01 3giq s ASN 107 Cb 0.00 -2.32 -0.01 0.00 0.41 0.00 0.00 41.25 39.33 3giq s ASN 107 CO 0.00 -0.01 0.42 0.28 -1.51 0.00 0.00 177.10 176.28 3giq s THR 108 N 0.53 0.00 -0.17 1.60 -1.32 -1.26 -4.70 115.64 110.31 3giq s THR 108 Ca 0.29 -1.57 -0.13 0.00 -1.21 0.00 0.00 61.69 59.07 3giq s THR 108 Cb -0.16 -2.40 0.05 0.00 -1.51 0.00 0.00 72.50 68.48 3giq s THR 108 CO 0.13 0.00 0.45 0.00 -2.21 0.00 0.00 174.62 172.98 3giq s ALA 109 N -3.72 -1.12 0.27 11.08 0.00 -1.26 -4.93 121.76 122.07 3giq s ALA 109 Ca 0.28 1.42 -0.01 0.00 0.00 0.00 0.00 51.96 53.65 3giq s ALA 109 Cb 0.01 -0.84 0.50 0.00 0.00 0.00 0.00 23.12 22.79 3giq s ALA 109 CO 0.13 -0.24 1.81 0.00 0.00 0.00 0.00 175.76 177.46 3giq h ALA 110 N 6.14 1.37 0.00 0.00 0.00 -2.03 -1.92 119.26 122.83 3giq h ALA 110 Ca -0.31 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3giq h ALA 110 Cb 1.18 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3giq h ALA 110 CO 0.25 0.13 -0.06 0.00 0.00 0.00 0.00 179.25 179.57 3giq h ALA 111 N 1.52 1.58 -0.02 0.00 0.00 -1.97 -2.46 119.26 117.90 3giq h ALA 111 Ca 0.46 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.28 3giq h ALA 111 Cb 0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3giq h ALA 111 CO -0.28 0.07 -0.19 -0.07 0.00 0.00 0.00 179.25 178.79 3giq h LEU 112 N 0.00 0.03 -2.04 0.00 3.38 -1.74 -2.59 115.31 112.35 3giq h LEU 112 Ca -0.00 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.05 3giq h LEU 112 Cb 0.13 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3giq h LEU 112 CO 0.01 0.23 0.23 0.00 0.09 0.00 0.00 178.44 178.99 3giq h ALA 113 N 1.78 2.23 0.00 1.53 0.00 -1.56 -1.33 119.26 121.91 3giq h ALA 113 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3giq h ALA 113 Cb 0.35 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3giq h ALA 113 CO 0.03 -0.39 0.00 -0.07 0.00 0.00 0.00 179.25 178.82 3giq h LEU 114 N 0.00 0.00 0.00 0.00 3.38 -1.64 -2.52 115.31 114.53 3giq h LEU 114 Ca 0.14 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.98 3giq h LEU 114 Cb 0.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3giq h LEU 114 CO -0.00 0.00 -0.80 -0.07 0.09 0.00 0.00 178.44 177.65 3giq h LEU 115 N 0.00 0.00 0.00 1.67 3.38 -1.43 -3.41 115.31 115.52 3giq h LEU 115 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3giq h LEU 115 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3giq h LEU 115 CO 0.00 0.61 0.00 0.61 0.09 0.00 0.00 178.44 179.75 3giq n GLY 116 N 1.29 1.46 0.04 0.83 0.00 -0.95 -4.34 105.19 103.52 3giq n GLY 116 Ca -0.01 -2.03 0.11 0.00 0.00 0.00 0.00 46.02 44.09 3giq n GLY 116 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3giq n GLU 117 N -1.65 0.24 -1.70 1.61 1.02 -1.26 -4.79 120.64 114.11 3giq n GLU 117 Ca 0.00 0.02 -0.44 0.00 -0.02 0.00 0.00 57.16 56.72 3giq n GLU 117 Cb 0.00 -1.60 -0.03 0.00 -0.02 0.00 0.00 31.44 29.79 3giq n GLU 117 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3giq n THR 118 N -1.92 0.40 -1.71 2.62 -1.04 -1.26 -4.89 114.28 106.48 3giq n THR 118 Ca 0.03 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.05 61.52 3giq n THR 118 Cb 0.42 -1.73 0.00 0.00 -1.82 0.00 0.00 70.33 67.20 3giq n THR 118 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3giq n PRO 119 N 3.03 2.14 -1.30 -2.82 -0.02 -1.26 -4.94 135.00 129.83 3giq n PRO 119 Ca 0.14 0.75 -0.32 0.00 -2.02 0.00 0.00 63.50 62.06 3giq n PRO 119 Cb 0.33 -2.40 0.09 0.00 -0.02 0.00 0.00 33.50 31.50 3giq n PRO 119 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3giq s LEU 120 N -1.41 3.10 0.35 2.45 1.43 -1.26 -5.02 118.68 118.32 3giq s LEU 120 Ca 0.57 1.96 -0.14 0.00 -1.03 0.00 0.00 54.13 55.49 3giq s LEU 120 Cb -0.53 -4.54 -0.08 0.00 0.03 0.00 0.00 46.19 41.06 3giq s LEU 120 CO 0.61 -2.12 0.75 -0.36 0.23 0.00 0.00 176.35 175.46 3giq s PHE 121 N -2.67 3.40 0.15 0.29 0.08 0.31 -4.81 117.98 114.73 3giq s PHE 121 Ca 0.64 1.18 -0.17 0.00 0.12 0.00 0.00 56.93 58.70 3giq s PHE 121 Cb -0.20 -2.52 0.03 0.00 -0.57 0.00 0.00 43.02 39.76 3giq s PHE 121 CO 0.52 0.02 1.74 0.00 -0.10 0.00 0.00 175.22 177.40 3giq h ALA 122 N 1.93 0.33 -2.97 5.36 0.00 -1.93 0.12 119.26 122.09 3giq h ALA 122 Ca -0.48 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 3giq h ALA 122 Cb 1.18 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 3giq h ALA 122 CO 0.65 -0.33 0.12 0.16 0.00 0.00 0.00 179.25 179.84 3giq s ASP 123 N -5.31 0.30 0.24 0.00 1.47 -1.26 -2.86 116.67 109.24 3giq s ASP 123 Ca -0.13 -1.24 -0.06 0.00 1.18 0.00 0.00 52.55 52.29 3giq s ASP 123 Cb 0.11 0.78 0.22 0.00 -0.34 0.00 0.00 42.92 43.70 3giq s ASP 123 CO 0.70 -1.55 1.85 0.58 0.68 0.00 0.00 175.17 177.44 3giq h VAL 124 N 2.04 1.26 -0.98 2.11 2.07 -1.90 -1.84 116.25 119.01 3giq h VAL 124 Ca -0.30 -0.66 0.03 0.00 0.82 0.00 0.00 66.70 66.58 3giq h VAL 124 Cb 1.25 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 3giq h VAL 124 CO 0.39 0.30 0.64 -0.65 0.02 0.00 0.00 177.57 178.27 3giq h PRO 125 N 1.23 1.21 -0.55 1.57 0.11 -1.92 0.17 132.00 133.82 3giq h PRO 125 Ca 0.31 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 66.27 3giq h PRO 125 Cb 0.05 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 30.87 3giq h PRO 125 CO -0.05 0.80 0.05 0.00 -0.21 0.00 0.00 178.00 178.59 3giq h ALA 126 N 1.42 0.74 -0.22 -0.75 0.00 -1.84 -0.34 119.26 118.27 3giq h ALA 126 Ca 0.38 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3giq h ALA 126 Cb -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3giq h ALA 126 CO -0.11 0.53 0.04 -0.92 0.00 0.00 0.00 179.25 178.79 3giq h TYR 127 N 0.83 0.37 -0.20 0.00 3.20 -0.66 -2.08 116.97 118.44 3giq h TYR 127 Ca 0.16 -0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.91 3giq h TYR 127 Cb 0.47 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 3giq h TYR 127 CO 0.03 0.48 -0.21 0.74 -1.64 0.00 0.00 178.16 177.56 3giq h PHE 128 N 0.16 0.38 -0.49 -3.82 0.04 -0.59 -2.08 116.94 110.54 3giq h PHE 128 Ca 0.07 -0.06 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 3giq h PHE 128 Cb 0.30 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 3giq h PHE 128 CO 0.02 0.54 -0.09 0.00 -0.60 0.00 0.00 178.31 178.18 3giq h ALA 129 N 1.47 0.92 -0.61 2.45 0.00 -0.90 0.38 119.26 122.97 3giq h ALA 129 Ca 0.05 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 3giq h ALA 129 Cb 0.55 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3giq h ALA 129 CO 0.04 0.63 0.06 0.00 0.00 0.00 0.00 179.25 179.98 3giq h ALA 130 N 1.10 0.94 -0.49 0.00 0.00 -0.94 -1.19 119.26 118.67 3giq h ALA 130 Ca 0.13 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 3giq h ALA 130 Cb 0.60 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3giq h ALA 130 CO 0.04 0.65 -0.20 -0.07 0.00 0.00 0.00 179.25 179.67 3giq h LEU 131 N 0.96 1.03 -1.21 0.00 3.38 -1.05 -0.47 115.31 117.94 3giq h LEU 131 Ca 0.18 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3giq h LEU 131 Cb 0.47 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3giq h LEU 131 CO 0.02 1.19 0.20 0.44 0.09 0.00 0.00 178.44 180.37 3giq h ASP 132 N 0.86 0.68 1.02 -0.43 3.32 -0.59 -1.40 116.42 119.88 3giq h ASP 132 Ca 0.11 -0.08 -0.17 0.00 0.02 0.00 0.00 57.03 56.91 3giq h ASP 132 Cb 0.78 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 3giq h ASP 132 CO 0.06 0.62 -0.79 0.00 -1.72 0.00 0.00 179.24 177.41 3giq h ALA 133 N 1.48 0.57 -2.45 3.45 0.00 -0.95 -3.36 119.26 118.00 3giq h ALA 133 Ca 0.18 -0.72 -0.59 0.00 0.00 0.00 0.00 54.91 53.77 3giq h ALA 133 Cb 0.16 -0.13 -0.40 0.00 0.00 0.00 0.00 17.79 17.43 3giq h ALA 133 CO -0.02 0.99 -0.84 0.94 0.00 0.00 0.00 179.25 180.32 3giq n GLN 134 N -3.41 1.07 -1.55 0.00 7.27 -0.21 -5.09 117.38 115.46 3giq n GLN 134 Ca 0.00 -3.75 -0.48 0.00 0.07 0.00 0.00 57.00 52.84 3giq n GLN 134 Cb 0.81 -1.82 -0.04 0.00 2.41 0.00 0.00 30.24 31.61 3giq n GLN 134 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3giq n ARG 135 N 2.02 0.96 -2.13 3.69 5.12 -0.56 -4.60 116.66 121.16 3giq n ARG 135 Ca 0.25 0.34 -0.32 0.00 -1.93 0.00 0.00 57.85 56.19 3giq n ARG 135 Cb 0.45 -1.73 -0.00 0.00 -1.16 0.00 0.00 32.46 30.01 3giq n ARG 135 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3giq s PRO 136 N -0.73 3.48 0.31 5.56 0.04 -1.26 -4.41 135.00 138.00 3giq s PRO 136 Ca 0.69 1.12 0.02 0.00 0.04 0.00 0.00 61.00 62.88 3giq s PRO 136 Cb -0.85 -2.06 0.52 0.00 0.04 0.00 0.00 34.50 32.15 3giq s PRO 136 CO 0.55 -0.67 1.85 1.98 0.04 0.00 0.00 177.00 180.75 3giq h MET 137 N 0.53 0.63 -5.32 4.56 4.05 -1.91 0.17 114.93 117.64 3giq h MET 137 Ca -0.47 -0.14 -0.52 0.00 -0.28 0.00 0.00 59.70 58.30 3giq h MET 137 Cb 1.21 -0.09 -0.14 0.00 -0.80 0.00 0.00 31.60 31.78 3giq h MET 137 CO 0.59 0.63 -0.60 0.96 0.23 0.00 0.00 176.91 178.71 3giq s ILE 138 N -5.03 1.35 0.50 1.77 -4.36 -1.26 -3.70 121.20 110.46 3giq s ILE 138 Ca -0.08 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.09 3giq s ILE 138 Cb 0.15 -2.81 -0.06 0.00 1.25 0.00 0.00 42.46 40.99 3giq s ILE 138 CO 0.78 0.00 1.20 0.20 0.24 0.00 0.00 174.94 177.35 3giq s ASN 139 N -3.55 5.85 -0.06 4.36 -0.87 -0.03 -4.20 114.94 116.43 3giq s ASN 139 Ca 0.35 2.37 0.01 0.00 -1.57 0.00 0.00 52.86 54.02 3giq s ASN 139 Cb 0.09 -2.60 0.02 0.00 -0.02 0.00 0.00 41.25 38.73 3giq s ASN 139 CO 0.16 -1.14 -0.07 -0.69 -2.57 0.00 0.00 177.10 172.79 3giq s VAL 140 N -1.54 0.78 0.06 1.60 1.01 -0.22 -1.23 120.40 120.86 3giq s VAL 140 Ca 0.68 -0.24 0.09 0.00 0.00 0.00 0.00 61.98 62.51 3giq s VAL 140 Cb -0.30 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 3giq s VAL 140 CO 0.35 0.29 -0.22 0.00 0.00 0.00 0.00 175.10 175.53 3giq s ALA 141 N 1.04 2.48 -0.00 5.51 0.00 -0.67 0.26 121.76 130.37 3giq s ALA 141 Ca -0.09 -1.28 0.03 0.00 0.00 0.00 0.00 51.96 50.63 3giq s ALA 141 Cb -0.14 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 3giq s ALA 141 CO -0.00 0.56 -0.09 0.00 0.00 0.00 0.00 175.76 176.23 3giq s ALA 142 N -0.94 0.75 0.15 0.00 0.00 -1.26 -1.17 121.76 119.29 3giq s ALA 142 Ca 0.14 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 51.72 3giq s ALA 142 Cb -0.10 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 3giq s ALA 142 CO 0.05 0.17 0.16 -0.51 0.00 0.00 0.00 175.76 175.64 3giq s LEU 143 N -0.31 3.94 -0.16 0.00 1.43 -0.29 -0.91 118.68 122.39 3giq s LEU 143 Ca 0.03 -0.03 -0.07 0.00 -1.03 0.00 0.00 54.13 53.02 3giq s LEU 143 Cb -0.04 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 3giq s LEU 143 CO -0.00 0.08 0.09 0.54 0.23 0.00 0.00 176.35 177.29 3giq s VAL 144 N -1.70 5.09 0.12 -1.59 0.11 -0.46 -4.34 120.40 117.63 3giq s VAL 144 Ca 0.32 0.06 -0.29 0.00 -2.93 0.00 0.00 61.98 59.14 3giq s VAL 144 Cb -0.11 -3.26 -0.06 0.00 -1.53 0.00 0.00 36.38 31.42 3giq s VAL 144 CO 0.24 0.52 0.91 -0.83 -3.33 0.00 0.00 175.10 172.61 3giq s GLY 145 N -0.19 2.98 0.34 6.54 0.00 -1.26 -1.39 107.32 114.33 3giq s GLY 145 Ca 0.09 0.51 0.03 0.00 0.00 0.00 0.00 44.72 45.35 3giq s GLY 145 CO 0.01 1.31 1.95 0.84 0.00 0.00 0.00 173.10 177.21 3giq h HIS 146 N 5.29 0.71 -0.50 1.90 6.17 -0.78 -0.89 115.15 127.05 3giq h HIS 146 Ca -0.44 -0.02 -0.02 0.00 0.71 0.00 0.00 60.37 60.61 3giq h HIS 146 Cb 1.21 -0.23 -0.02 0.00 2.52 0.00 0.00 27.41 30.89 3giq h HIS 146 CO 0.64 0.52 0.23 0.00 0.71 0.00 0.00 177.93 180.04 3giq h ALA 147 N 1.55 0.65 -0.64 5.26 0.00 -1.15 -0.91 119.26 124.03 3giq h ALA 147 Ca 0.18 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3giq h ALA 147 Cb 0.07 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3giq h ALA 147 CO -0.03 0.23 0.40 -0.91 0.00 0.00 0.00 179.25 178.94 3giq h ASN 148 N 0.67 0.66 -0.43 0.00 2.35 -1.26 0.35 115.58 117.91 3giq h ASN 148 Ca 0.17 -0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.94 3giq h ASN 148 Cb 0.14 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 3giq h ASN 148 CO -0.02 0.46 0.26 -0.07 -1.65 0.00 0.00 177.43 176.41 3giq h LEU 149 N 0.79 0.43 -0.31 1.61 3.38 -0.69 0.59 115.31 121.10 3giq h LEU 149 Ca 0.26 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 3giq h LEU 149 Cb 0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3giq h LEU 149 CO -0.10 0.31 0.05 0.03 0.09 0.00 0.00 178.44 178.82 3giq h ARG 150 N 0.53 0.52 0.00 1.13 3.08 -0.66 -1.51 114.38 117.46 3giq h ARG 150 Ca 0.17 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 3giq h ARG 150 Cb 0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3giq h ARG 150 CO -0.07 0.61 -0.19 -0.07 -1.07 0.00 0.00 179.97 179.17 3giq h LEU 151 N 0.35 0.00 0.00 3.04 3.38 -0.67 0.10 115.31 121.50 3giq h LEU 151 Ca 0.10 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.86 3giq h LEU 151 Cb 0.34 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3giq h LEU 151 CO 0.01 0.19 -1.32 0.00 0.09 0.00 0.00 178.44 177.41 3giq h ALA 152 N 1.81 0.65 0.00 1.53 0.00 -0.72 0.47 119.26 122.99 3giq h ALA 152 Ca -0.00 -1.02 -0.16 0.00 0.00 0.00 0.00 54.91 53.73 3giq h ALA 152 Cb 0.40 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3giq h ALA 152 CO 0.03 1.16 -2.02 0.00 0.00 0.00 0.00 179.25 178.42 3giq n ALA 153 N -2.42 2.12 -3.23 0.00 0.00 -0.58 -4.54 120.51 111.85 3giq n ALA 153 Ca -0.09 -0.80 -0.36 0.00 0.00 0.00 0.00 53.44 52.19 3giq n ALA 153 Cb 0.91 -0.37 -0.13 0.00 0.00 0.00 0.00 19.45 19.87 3giq n ALA 153 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3giq s MET 154 N -2.84 3.51 0.56 0.00 -1.94 0.34 -4.92 119.30 114.01 3giq s MET 154 Ca -0.08 -0.56 0.27 0.00 -1.71 0.00 0.00 55.69 53.62 3giq s MET 154 Cb 0.08 -3.21 1.65 0.00 2.01 0.00 0.00 34.83 35.37 3giq s MET 154 CO 0.74 -0.21 2.20 0.00 -0.01 0.00 0.00 175.02 177.73 3giq h ARG 155 N 8.19 0.00 -3.08 2.03 3.08 -1.90 -3.24 114.38 119.47 3giq h ARG 155 Ca -0.39 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.05 3giq h ARG 155 Cb 1.17 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.81 3giq h ARG 155 CO 0.59 0.03 -0.73 0.34 -1.07 0.00 0.00 179.97 179.13 3giq s ASP 156 N -6.30 3.74 0.00 7.04 2.15 -1.26 -4.98 116.67 117.06 3giq s ASP 156 Ca -0.05 -2.59 0.04 0.00 0.43 0.00 0.00 52.55 50.39 3giq s ASP 156 Cb 0.15 -1.08 0.20 0.00 -0.30 0.00 0.00 42.92 41.89 3giq s ASP 156 CO 0.57 -0.27 1.01 -2.65 -0.17 0.00 0.00 175.17 173.66 3giq n PRO 157 N 3.60 0.04 -0.05 4.34 -0.02 -1.22 -2.08 135.00 139.61 3giq n PRO 157 Ca 0.08 0.30 0.12 0.00 -2.02 0.00 0.00 63.50 61.97 3giq n PRO 157 Cb 0.35 -1.50 0.14 0.00 -0.02 0.00 0.00 33.50 32.47 3giq n PRO 157 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3giq n GLN 158 N -1.35 2.36 -3.28 -0.52 1.13 -1.26 -4.78 117.38 109.69 3giq n GLN 158 Ca 0.02 -2.01 -0.22 0.00 -1.94 0.00 0.00 57.00 52.86 3giq n GLN 158 Cb 0.04 -1.48 0.04 0.00 0.11 0.00 0.00 30.24 28.96 3giq n GLN 158 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3giq s ALA 159 N -1.86 4.65 0.12 -1.58 0.00 -0.88 -5.00 121.76 117.20 3giq s ALA 159 Ca 0.31 -1.90 -0.25 0.00 0.00 0.00 0.00 51.96 50.12 3giq s ALA 159 Cb 0.21 -1.25 -0.07 0.00 0.00 0.00 0.00 23.12 22.01 3giq s ALA 159 CO 0.31 -0.76 0.78 0.00 0.00 0.00 0.00 175.76 176.09 3giq s ALA 160 N -2.71 3.41 0.38 0.00 0.00 -1.26 -4.93 121.76 116.65 3giq s ALA 160 Ca 0.54 0.35 -0.26 0.00 0.00 0.00 0.00 51.96 52.59 3giq s ALA 160 Cb -0.05 -2.99 -0.09 0.00 0.00 0.00 0.00 23.12 20.00 3giq s ALA 160 CO 0.34 0.19 1.20 -1.25 0.00 0.00 0.00 175.76 176.24 3giq s PRO 161 N -0.68 4.12 0.87 0.00 0.04 -1.26 -5.02 135.00 133.06 3giq s PRO 161 Ca 0.37 1.93 -0.12 0.00 0.04 0.00 0.00 61.00 63.23 3giq s PRO 161 Cb -0.22 -2.77 0.11 0.00 0.04 0.00 0.00 34.50 31.66 3giq s PRO 161 CO 0.25 -0.29 1.12 0.95 0.04 0.00 0.00 177.00 179.07 3giq s THR 162 N -1.34 2.38 0.21 1.26 -4.23 -1.26 -4.77 115.64 107.89 3giq s THR 162 Ca 0.55 0.12 -0.09 0.00 -1.18 0.00 0.00 61.69 61.09 3giq s THR 162 Cb -0.33 -2.87 0.14 0.00 1.34 0.00 0.00 72.50 70.78 3giq s THR 162 CO 0.42 -0.16 1.80 0.00 -0.54 0.00 0.00 174.62 176.14 3giq h ALA 163 N -1.35 0.88 -0.71 3.99 0.00 -2.00 -1.16 119.26 118.92 3giq h ALA 163 Ca -0.49 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 3giq h ALA 163 Cb 1.31 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 3giq h ALA 163 CO 0.61 -0.00 0.32 0.00 0.00 0.00 0.00 179.25 180.18 3giq h ALA 164 N 1.36 1.22 -0.36 0.00 0.00 -1.99 -1.19 119.26 118.30 3giq h ALA 164 Ca 0.30 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 3giq h ALA 164 Cb 0.23 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3giq h ALA 164 CO -0.21 0.58 -0.30 0.93 0.00 0.00 0.00 179.25 180.26 3giq h GLU 165 N 1.01 0.78 -0.47 0.00 5.08 -1.71 0.33 114.58 119.60 3giq h GLU 165 Ca 0.24 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3giq h GLU 165 Cb 0.14 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3giq h GLU 165 CO -0.03 0.98 0.21 0.37 -1.00 0.00 0.00 179.01 179.55 3giq h GLN 166 N 0.66 0.69 -0.80 2.33 5.75 -0.85 -1.14 115.11 121.75 3giq h GLN 166 Ca 0.08 -0.11 -0.04 0.00 -0.15 0.00 0.00 58.65 58.43 3giq h GLN 166 Cb 0.84 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 29.23 3giq h GLN 166 CO 0.07 0.60 0.36 0.37 -2.65 0.00 0.00 178.83 177.58 3giq h GLN 167 N 0.62 1.17 -0.52 1.69 5.75 -0.97 -1.76 115.11 121.10 3giq h GLN 167 Ca 0.16 -0.19 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 3giq h GLN 167 Cb 0.15 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 3giq h GLN 167 CO -0.02 0.92 0.27 0.00 -2.65 0.00 0.00 178.83 177.35 3giq h ALA 168 N 1.19 0.66 -0.52 3.38 0.00 -0.53 0.08 119.26 123.52 3giq h ALA 168 Ca 0.27 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3giq h ALA 168 Cb 0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3giq h ALA 168 CO -0.03 0.20 0.07 0.52 0.00 0.00 0.00 179.25 180.01 3giq h MET 169 N 0.69 0.82 -0.53 0.00 2.86 -0.91 0.45 114.93 118.31 3giq h MET 169 Ca 0.18 -0.19 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 3giq h MET 169 Cb 0.07 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 3giq h MET 169 CO -0.03 0.78 -0.03 1.96 1.06 0.00 0.00 176.91 180.65 3giq h GLN 170 N 0.78 0.96 -0.31 1.72 4.20 -0.92 -0.82 115.11 120.72 3giq h GLN 170 Ca 0.16 -0.32 -0.11 0.00 0.06 0.00 0.00 58.65 58.44 3giq h GLN 170 Cb 0.37 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 3giq h GLN 170 CO 0.01 0.99 -0.25 -0.44 -0.67 0.00 0.00 178.83 178.47 3giq h ASP 171 N 0.83 0.61 -0.57 1.46 3.32 -0.54 -0.13 116.42 121.40 3giq h ASP 171 Ca 0.15 -0.22 -0.10 0.00 0.02 0.00 0.00 57.03 56.87 3giq h ASP 171 Cb 0.58 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 3giq h ASP 171 CO 0.03 0.85 -0.04 0.24 -1.72 0.00 0.00 179.24 178.60 3giq h MET 172 N 0.53 1.05 -0.27 3.56 2.86 -0.68 -0.38 114.93 121.59 3giq h MET 172 Ca 0.07 -0.35 -0.03 0.00 -2.06 0.00 0.00 59.70 57.33 3giq h MET 172 Cb 0.71 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 3giq h MET 172 CO 0.05 1.05 0.05 1.25 1.06 0.00 0.00 176.91 180.37 3giq h LEU 173 N 0.95 0.43 -0.92 1.22 5.85 -0.85 -0.80 115.31 121.18 3giq h LEU 173 Ca 0.16 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.69 3giq h LEU 173 Cb 0.60 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 3giq h LEU 173 CO 0.04 0.57 0.58 -0.61 -0.34 0.00 0.00 178.44 178.68 3giq h GLN 174 N 0.27 1.05 -0.54 1.25 4.15 -0.80 0.37 115.11 120.85 3giq h GLN 174 Ca 0.08 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.40 3giq h GLN 174 Cb 0.32 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 3giq h GLN 174 CO 0.00 0.69 0.17 0.00 -1.93 0.00 0.00 178.83 177.76 3giq h ALA 175 N 1.41 0.71 -0.48 3.38 0.00 -0.78 -0.16 119.26 123.35 3giq h ALA 175 Ca 0.39 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3giq h ALA 175 Cb 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3giq h ALA 175 CO -0.16 0.37 0.24 0.00 0.00 0.00 0.00 179.25 179.71 3giq h ALA 176 N 1.03 0.62 -0.58 0.00 0.00 -0.18 -1.06 119.26 119.09 3giq h ALA 176 Ca 0.17 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3giq h ALA 176 Cb 0.28 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3giq h ALA 176 CO -0.01 0.16 0.10 -0.07 0.00 0.00 0.00 179.25 179.44 3giq h LEU 177 N 0.63 0.91 -1.73 0.00 3.38 -0.75 -1.47 115.31 116.28 3giq h LEU 177 Ca 0.17 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3giq h LEU 177 Cb 0.09 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3giq h LEU 177 CO -0.02 0.94 -0.17 -0.33 0.09 0.00 0.00 178.44 178.94 3giq h GLU 178 N 0.85 0.00 0.00 1.13 5.08 -0.75 -1.10 114.58 119.78 3giq h GLU 178 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3giq h GLU 178 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3giq h GLU 178 CO 0.01 0.17 0.00 0.00 -1.00 0.00 0.00 179.01 178.19 3giq h ALA 179 N 1.83 1.00 0.00 3.43 0.00 -0.50 -3.47 119.26 121.55 3giq h ALA 179 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3giq h ALA 179 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3giq h ALA 179 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 3giq n GLY 180 N 1.03 0.88 3.77 0.00 0.00 -0.42 -4.82 105.19 105.63 3giq n GLY 180 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3giq n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3giq s ALA 181 N -1.80 3.28 -1.68 4.61 0.00 -0.62 -0.29 121.76 125.25 3giq s ALA 181 Ca 0.00 1.31 0.30 0.00 0.00 0.00 0.00 51.96 53.57 3giq s ALA 181 Cb 0.00 -3.52 1.57 0.00 0.00 0.00 0.00 23.12 21.17 3giq s ALA 181 CO 0.00 -0.93 2.06 1.33 0.00 0.00 0.00 175.76 178.23 3giq n VAL 182 N 0.08 0.00 -3.13 0.00 0.24 -0.08 -4.56 118.33 110.87 3giq n VAL 182 Ca 0.04 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 3giq n VAL 182 Cb 0.43 -0.39 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 3giq n VAL 182 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3giq n GLY 183 N 1.19 -0.36 3.23 7.63 0.00 -1.26 -1.49 105.19 114.13 3giq n GLY 183 Ca 0.17 -1.31 -0.17 0.00 0.00 0.00 0.00 46.02 44.71 3giq n GLY 183 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3giq s PHE 184 N -2.94 1.34 0.18 1.61 -0.12 -0.03 -1.35 117.98 116.67 3giq s PHE 184 Ca 0.00 -0.58 0.11 0.00 -0.05 0.00 0.00 56.93 56.41 3giq s PHE 184 Cb 0.00 -0.70 -0.04 0.00 -0.63 0.00 0.00 43.02 41.64 3giq s PHE 184 CO 0.00 0.12 -0.23 -1.54 -0.05 0.00 0.00 175.22 173.52 3giq s SER 185 N -2.46 3.28 0.12 1.98 1.04 -0.49 -1.42 113.70 115.75 3giq s SER 185 Ca 0.08 -0.85 0.09 0.00 0.48 0.00 0.00 55.95 55.75 3giq s SER 185 Cb -0.04 -0.23 -0.04 0.00 0.10 0.00 0.00 66.02 65.81 3giq s SER 185 CO 0.02 0.10 -0.23 0.42 0.98 0.00 0.00 173.24 174.53 3giq s THR 186 N -1.67 1.94 -0.57 2.02 -4.23 -0.38 -0.80 115.64 111.94 3giq s THR 186 Ca 0.19 -1.64 0.05 0.00 -1.18 0.00 0.00 61.69 59.11 3giq s THR 186 Cb -0.08 -1.75 0.20 0.00 1.34 0.00 0.00 72.50 72.21 3giq s THR 186 CO 0.09 -0.01 0.51 0.61 -0.54 0.00 0.00 174.62 175.28 3giq n GLY 187 N 0.99 3.52 0.12 3.99 0.00 -1.23 -0.92 105.19 111.67 3giq n GLY 187 Ca -0.19 -2.14 0.12 0.00 0.00 0.00 0.00 46.02 43.81 3giq n GLY 187 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3giq n LEU 188 N 1.89 0.63 -0.45 0.99 4.77 -0.45 -2.07 117.00 122.31 3giq n LEU 188 Ca 0.25 0.66 0.13 0.00 -0.03 0.00 0.00 56.01 57.02 3giq n LEU 188 Cb 0.42 -0.57 0.37 0.00 -2.33 0.00 0.00 43.42 41.31 3giq n LEU 188 CO 0.23 -0.55 0.71 0.00 -1.33 0.00 0.00 177.39 176.46 3giq n ALA 189 N -1.76 2.84 -2.50 -1.18 0.00 -1.23 -3.74 120.51 112.95 3giq n ALA 189 Ca 0.02 -0.48 -0.25 0.00 0.00 0.00 0.00 53.44 52.74 3giq n ALA 189 Cb 0.22 -1.08 -0.10 0.00 0.00 0.00 0.00 19.45 18.50 3giq n ALA 189 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3giq s TYR 190 N -2.23 2.36 0.23 0.00 2.02 -0.88 -4.94 117.35 113.91 3giq s TYR 190 Ca 0.30 -0.38 -0.16 0.00 -0.37 0.00 0.00 57.07 56.46 3giq s TYR 190 Cb 0.20 -1.14 -0.08 0.00 -0.40 0.00 0.00 41.96 40.54 3giq s TYR 190 CO 0.42 0.66 0.66 -0.65 -1.57 0.00 0.00 175.55 175.07 3giq s GLN 191 N -3.56 4.06 0.00 -0.62 -1.52 -1.26 -0.20 119.66 116.56 3giq s GLN 191 Ca 0.31 0.64 0.27 0.00 -1.95 0.00 0.00 55.36 54.63 3giq s GLN 191 Cb -0.03 -2.76 0.86 0.00 -0.22 0.00 0.00 33.01 30.87 3giq s GLN 191 CO 0.16 0.35 1.63 -0.35 -0.25 0.00 0.00 175.29 176.83 3giq n PRO 192 N 0.38 1.02 -0.16 2.91 -0.04 -1.26 -4.72 135.00 133.12 3giq n PRO 192 Ca -0.01 -0.58 0.09 0.00 -0.04 0.00 0.00 63.50 62.95 3giq n PRO 192 Cb 0.52 -1.49 0.40 0.00 -0.04 0.00 0.00 33.50 32.89 3giq n PRO 192 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3giq h GLY 193 N 4.91 0.86 1.83 0.55 0.00 -1.62 -2.19 103.07 107.42 3giq h GLY 193 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.08 3giq h GLY 193 CO 0.00 0.17 0.07 0.00 0.00 0.00 0.00 176.54 176.78 3giq h ALA 194 N 1.64 1.44 0.00 3.60 0.00 -0.67 -1.45 119.26 123.82 3giq h ALA 194 Ca 0.31 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 3giq h ALA 194 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3giq h ALA 194 CO -0.11 -0.09 -0.46 0.28 0.00 0.00 0.00 179.25 178.87 3giq h VAL 195 N 0.00 1.04 -3.90 0.00 2.07 -1.66 -3.46 116.25 110.34 3giq h VAL 195 Ca 0.02 -1.76 -0.54 0.00 0.82 0.00 0.00 66.70 65.24 3giq h VAL 195 Cb 0.16 2.04 0.10 0.00 -1.52 0.00 0.00 31.29 32.07 3giq h VAL 195 CO -0.00 0.45 0.77 0.00 0.02 0.00 0.00 177.57 178.81 3giq s ALA 196 N -3.54 3.57 0.41 1.67 0.00 -0.55 -4.95 121.76 118.37 3giq s ALA 196 Ca 0.00 1.54 0.08 0.00 0.00 0.00 0.00 51.96 53.57 3giq s ALA 196 Cb 0.11 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 3giq s ALA 196 CO 0.71 -1.00 0.39 -0.65 0.00 0.00 0.00 175.76 175.20 3giq s GLN 197 N -1.97 2.56 0.25 0.00 -0.21 -1.26 -4.97 119.66 114.06 3giq s GLN 197 Ca 0.53 -1.50 -0.06 0.00 0.02 0.00 0.00 55.36 54.34 3giq s GLN 197 Cb -0.46 -2.41 0.46 0.00 1.00 0.00 0.00 33.01 31.60 3giq s GLN 197 CO 0.61 -0.18 1.64 0.00 -2.12 0.00 0.00 175.29 175.24 3giq h ALA 198 N 1.02 0.84 -0.77 6.09 0.00 -1.99 -1.64 119.26 122.79 3giq h ALA 198 Ca -0.41 0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.80 3giq h ALA 198 Cb 1.27 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 19.38 3giq h ALA 198 CO 0.57 -0.42 0.44 0.00 0.00 0.00 0.00 179.25 179.84 3giq h ALA 199 N 1.70 1.07 -0.14 0.00 0.00 -1.98 0.16 119.26 120.06 3giq h ALA 199 Ca 0.42 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 3giq h ALA 199 Cb 0.75 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3giq h ALA 199 CO -0.64 0.11 0.01 1.49 0.00 0.00 0.00 179.25 180.22 3giq h GLU 200 N 0.78 0.24 -0.57 0.00 4.81 -1.71 -1.05 114.58 117.07 3giq h GLU 200 Ca 0.36 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.43 3giq h GLU 200 Cb 0.26 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 3giq h GLU 200 CO -0.21 0.44 0.01 -0.07 -0.73 0.00 0.00 179.01 178.45 3giq h LEU 201 N -0.00 0.98 -0.74 1.64 3.38 -1.10 -2.63 115.31 116.85 3giq h LEU 201 Ca 0.04 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.61 3giq h LEU 201 Cb 0.33 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3giq h LEU 201 CO 0.00 1.05 -0.07 -0.33 0.09 0.00 0.00 178.44 179.19 3giq h GLU 202 N 0.89 0.90 -0.96 1.13 5.08 -0.69 -0.33 114.58 120.60 3giq h GLU 202 Ca 0.16 -0.29 0.05 0.00 -1.00 0.00 0.00 59.36 58.28 3giq h GLU 202 Cb 0.54 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 3giq h GLU 202 CO 0.03 0.93 0.62 0.78 -1.00 0.00 0.00 179.01 180.37 3giq h GLY 203 N 0.98 1.42 1.00 -3.84 0.00 -0.98 -0.10 103.07 101.56 3giq h GLY 203 Ca 0.14 -0.47 -0.19 0.00 0.00 0.00 0.00 47.33 46.81 3giq h GLY 203 CO 0.04 0.38 -0.68 1.41 0.00 0.00 0.00 176.54 177.68 3giq h LEU 204 N 1.18 0.75 -1.80 3.11 3.38 -1.16 -3.19 115.31 117.57 3giq h LEU 204 Ca 0.39 -0.67 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3giq h LEU 204 Cb 0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3giq h LEU 204 CO -0.14 1.31 0.04 0.00 0.09 0.00 0.00 178.44 179.74 3giq h ALA 205 N 0.46 1.85 -0.35 1.53 0.00 -0.59 -1.52 119.26 120.63 3giq h ALA 205 Ca -0.06 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3giq h ALA 205 Cb 1.33 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3giq h ALA 205 CO 0.14 0.13 -0.28 0.00 0.00 0.00 0.00 179.25 179.23 3giq h ARG 206 N 0.17 0.74 -0.62 0.00 3.08 -1.02 0.18 114.38 116.91 3giq h ARG 206 Ca 0.04 -0.32 -0.05 0.00 0.07 0.00 0.00 59.98 59.72 3giq h ARG 206 Cb 0.05 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 3giq h ARG 206 CO -0.00 0.93 0.18 0.28 -1.07 0.00 0.00 179.97 180.28 3giq h VAL 207 N 0.63 1.25 -0.13 2.04 2.07 -1.29 -1.33 116.25 119.49 3giq h VAL 207 Ca 0.08 -0.87 -0.07 0.00 0.82 0.00 0.00 66.70 66.66 3giq h VAL 207 Cb 0.80 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3giq h VAL 207 CO 0.07 0.33 -0.18 0.00 0.02 0.00 0.00 177.57 177.80 3giq h ALA 208 N 1.06 0.20 -0.71 1.67 0.00 -1.18 -3.22 119.26 117.08 3giq h ALA 208 Ca 0.20 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.81 3giq h ALA 208 Cb 0.32 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3giq h ALA 208 CO -0.00 0.12 0.41 0.00 0.00 0.00 0.00 179.25 179.78 3giq h ALA 209 N 0.57 0.95 -0.27 0.00 0.00 -0.55 0.15 119.26 120.11 3giq h ALA 209 Ca 0.02 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.01 3giq h ALA 209 Cb 0.74 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3giq h ALA 209 CO 0.04 0.11 0.20 1.49 0.00 0.00 0.00 179.25 181.10 3giq h GLU 210 N 0.76 0.00 -0.51 0.00 4.81 -1.28 -0.83 114.58 117.53 3giq h GLU 210 Ca 0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 3giq h GLU 210 Cb 0.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.54 3giq h GLU 210 CO -0.17 0.00 0.00 0.54 -0.73 0.00 0.00 179.01 178.65 3giq n ARG 211 N -4.41 3.10 -3.60 1.92 1.74 -0.58 -4.96 116.66 109.87 3giq n ARG 211 Ca 0.04 -2.53 -0.23 0.00 -0.77 0.00 0.00 57.85 54.35 3giq n ARG 211 Cb 0.36 -1.59 0.08 0.00 -1.02 0.00 0.00 32.46 30.29 3giq n ARG 211 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3giq n ARG 212 N 0.83 -7.35 -3.93 5.56 5.12 -0.32 -5.00 116.66 111.58 3giq n ARG 212 Ca 0.20 0.80 -0.24 0.00 -1.93 0.00 0.00 57.85 56.68 3giq n ARG 212 Cb 0.66 -5.82 -0.04 0.00 -1.16 0.00 0.00 32.46 26.10 3giq n ARG 212 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3giq s ARG 213 N -6.12 2.32 0.36 5.56 1.81 0.42 -5.00 118.95 118.30 3giq s ARG 213 Ca 0.44 -1.82 0.02 0.00 -1.72 0.00 0.00 55.73 52.65 3giq s ARG 213 Cb -0.20 -2.11 -0.02 0.00 -0.45 0.00 0.00 34.95 32.17 3giq s ARG 213 CO 0.74 -0.28 0.55 -0.51 -0.68 0.00 0.00 175.30 175.12 3giq s LEU 214 N -4.07 3.95 -0.28 2.53 1.43 -0.56 -3.98 118.68 117.71 3giq s LEU 214 Ca 0.40 0.29 -0.00 0.00 -1.03 0.00 0.00 54.13 53.79 3giq s LEU 214 Cb 0.00 -3.15 0.08 0.00 0.03 0.00 0.00 46.19 43.15 3giq s LEU 214 CO 0.23 -0.39 0.04 -2.28 0.23 0.00 0.00 176.35 174.18 3giq s HIS 215 N -2.32 2.06 -0.12 0.29 5.65 -0.62 -0.85 115.29 119.38 3giq s HIS 215 Ca 0.42 -1.78 -0.07 0.00 0.25 0.00 0.00 55.06 53.89 3giq s HIS 215 Cb -0.10 -1.74 -0.04 0.00 -1.18 0.00 0.00 32.58 29.53 3giq s HIS 215 CO 0.35 -0.82 0.13 0.95 -0.65 0.00 0.00 174.74 174.70 3giq s THR 216 N 1.50 5.44 -0.01 0.89 -4.23 -0.50 -1.78 115.64 116.95 3giq s THR 216 Ca 0.04 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.74 3giq s THR 216 Cb -0.18 -3.37 0.01 0.00 1.34 0.00 0.00 72.50 70.31 3giq s THR 216 CO -0.15 0.62 -0.00 -0.55 -0.54 0.00 0.00 174.62 174.00 3giq s SER 217 N -1.01 0.18 -0.50 3.99 0.15 0.14 -1.25 113.70 115.39 3giq s SER 217 Ca 0.15 -0.01 -0.18 0.00 0.70 0.00 0.00 55.95 56.60 3giq s SER 217 Cb -0.12 -0.06 0.06 0.00 -1.71 0.00 0.00 66.02 64.19 3giq s SER 217 CO 0.04 -0.04 0.58 -2.28 1.20 0.00 0.00 173.24 172.75 3giq s HIS 218 N 0.39 3.09 0.97 3.44 2.46 -0.09 -1.22 115.29 124.33 3giq s HIS 218 Ca -0.03 -0.61 -0.11 0.00 0.47 0.00 0.00 55.06 54.78 3giq s HIS 218 Cb -0.05 -3.47 0.18 0.00 -0.13 0.00 0.00 32.58 29.10 3giq s HIS 218 CO -0.01 -0.99 1.12 0.96 -2.47 0.00 0.00 174.74 173.35 3giq s ILE 219 N 2.44 2.07 0.30 0.89 -4.36 -1.26 -1.34 121.20 119.95 3giq s ILE 219 Ca 0.13 0.02 0.05 0.00 -0.26 0.00 0.00 60.65 60.59 3giq s ILE 219 Cb -0.20 -2.06 0.30 0.00 1.25 0.00 0.00 42.46 41.74 3giq s ILE 219 CO 0.11 -0.03 1.78 -0.09 0.24 0.00 0.00 174.94 176.95 3giq h ARG 220 N -2.05 0.77 -2.70 0.37 2.43 -1.83 -3.26 114.38 108.11 3giq h ARG 220 Ca -0.48 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 58.53 3giq h ARG 220 Cb 1.28 -0.17 -0.24 0.00 -0.42 0.00 0.00 29.97 30.42 3giq h ARG 220 CO 0.44 0.51 -0.24 1.21 -1.51 0.00 0.00 179.97 180.38 3giq s ASN 221 N -5.45 -0.46 -0.16 -3.80 3.84 -1.26 -3.80 114.94 103.86 3giq s ASN 221 Ca -0.11 0.86 0.17 0.00 0.21 0.00 0.00 52.86 53.99 3giq s ASN 221 Cb 0.25 0.85 0.38 0.00 -0.55 0.00 0.00 41.25 42.17 3giq s ASN 221 CO 0.80 -0.16 1.25 -0.62 -2.79 0.00 0.00 177.10 175.58 3giq n GLU 222 N 3.13 1.79 0.00 0.43 1.02 -1.26 -3.47 120.64 122.28 3giq n GLU 222 Ca -0.15 -2.73 0.00 0.00 -0.02 0.00 0.00 57.16 54.26 3giq n GLU 222 Cb 0.57 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 3giq n GLU 222 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3giq n ALA 223 N -1.14 0.00 -0.16 0.62 0.00 -1.26 -0.62 120.51 117.94 3giq n ALA 223 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.74 3giq n ALA 223 Cb 0.73 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.62 3giq n ALA 223 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3giq h ASP 224 N 0.00 0.50 -0.72 0.00 5.19 -1.92 -1.91 116.42 117.57 3giq h ASP 224 Ca 0.00 0.02 -0.21 0.00 -0.62 0.00 0.00 57.03 56.22 3giq h ASP 224 Cb 0.00 -0.09 -0.12 0.00 0.18 0.00 0.00 39.33 39.30 3giq h ASP 224 CO 0.00 0.29 0.25 0.61 -3.12 0.00 0.00 179.24 177.27 3giq n GLY 225 N -1.49 3.71 0.30 2.75 0.00 -1.26 -4.65 105.19 104.55 3giq n GLY 225 Ca 0.12 -1.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.10 3giq n GLY 225 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3giq h VAL 226 N 2.62 1.14 -0.62 1.61 3.04 -1.37 -0.66 116.25 122.00 3giq h VAL 226 Ca 0.26 -0.33 -0.07 0.00 -1.01 0.00 0.00 66.70 65.55 3giq h VAL 226 Cb 2.30 0.08 -0.02 0.00 -2.01 0.00 0.00 31.29 31.63 3giq h VAL 226 CO 0.72 0.18 0.12 -0.33 -1.01 0.00 0.00 177.57 177.25 3giq h GLU 227 N 0.97 1.01 -0.21 4.17 5.08 -1.84 -1.38 114.58 122.38 3giq h GLU 227 Ca 0.30 -0.26 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 3giq h GLU 227 Cb -0.03 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3giq h GLU 227 CO -0.10 0.93 -0.36 0.00 -1.00 0.00 0.00 179.01 178.48 3giq h ALA 228 N 1.03 0.99 -0.59 3.43 0.00 -1.85 -2.20 119.26 120.08 3giq h ALA 228 Ca 0.19 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 3giq h ALA 228 Cb 0.39 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3giq h ALA 228 CO 0.01 0.61 0.04 0.00 0.00 0.00 0.00 179.25 179.91 3giq h ALA 229 N 1.23 0.79 -0.18 0.00 0.00 -0.78 -0.15 119.26 120.17 3giq h ALA 229 Ca 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3giq h ALA 229 Cb 0.81 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3giq h ALA 229 CO 0.07 0.58 0.02 0.28 0.00 0.00 0.00 179.25 180.20 3giq h VAL 230 N 0.90 1.24 -0.86 0.00 2.07 -1.14 -2.85 116.25 115.61 3giq h VAL 230 Ca 0.17 -0.78 0.06 0.00 0.82 0.00 0.00 66.70 66.96 3giq h VAL 230 Cb 0.49 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 3giq h VAL 230 CO 0.02 0.24 0.56 -0.08 0.02 0.00 0.00 177.57 178.33 3giq h GLU 231 N 0.09 0.96 -0.42 1.57 4.57 -1.23 -1.26 114.58 118.85 3giq h GLU 231 Ca 0.05 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 3giq h GLU 231 Cb 0.34 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 3giq h GLU 231 CO 0.01 0.64 0.26 1.49 -1.18 0.00 0.00 179.01 180.22 3giq h GLU 232 N 0.99 0.51 0.00 1.92 4.81 -0.80 0.23 114.58 122.23 3giq h GLU 232 Ca 0.36 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.42 3giq h GLU 232 Cb 0.16 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 3giq h GLU 232 CO -0.12 0.33 -0.65 -0.39 -0.73 0.00 0.00 179.01 177.45 3giq h VAL 233 N 0.52 1.38 -0.23 0.32 -1.51 -1.27 -2.35 116.25 113.11 3giq h VAL 233 Ca 0.16 -2.29 -0.14 0.00 -1.23 0.00 0.00 66.70 63.21 3giq h VAL 233 Cb -0.01 2.26 -0.01 0.00 -2.13 0.00 0.00 31.29 31.40 3giq h VAL 233 CO -0.06 0.64 -0.42 -0.07 -1.23 0.00 0.00 177.57 176.42 3giq h LEU 234 N 0.00 0.61 -1.09 4.19 3.38 -0.82 -2.03 115.31 119.55 3giq h LEU 234 Ca -0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 3giq h LEU 234 Cb 1.21 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 3giq h LEU 234 CO 0.08 0.95 0.33 0.00 0.09 0.00 0.00 178.44 179.90 3giq h ALA 235 N 1.07 1.29 -0.61 1.53 0.00 -0.28 0.62 119.26 122.88 3giq h ALA 235 Ca 0.04 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3giq h ALA 235 Cb 0.93 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3giq h ALA 235 CO 0.08 0.55 0.04 0.82 0.00 0.00 0.00 179.25 180.74 3giq h ILE 236 N 0.97 1.26 -0.45 0.00 1.08 -1.10 -0.51 117.51 118.75 3giq h ILE 236 Ca 0.24 -1.08 -0.09 0.00 -0.39 0.00 0.00 64.86 63.53 3giq h ILE 236 Cb 0.10 0.74 -0.02 0.00 -3.07 0.00 0.00 36.82 34.57 3giq h ILE 236 CO -0.03 0.40 -0.11 1.23 -0.69 0.00 0.00 178.15 178.95 3giq h GLY 237 N 1.02 0.87 1.11 5.37 0.00 -0.53 -2.07 103.07 108.84 3giq h GLY 237 Ca 0.18 -0.66 -0.17 0.00 0.00 0.00 0.00 47.33 46.68 3giq h GLY 237 CO 0.02 0.60 -0.50 3.21 0.00 0.00 0.00 176.54 179.88 3giq h ARG 238 N 0.73 0.86 0.00 4.80 3.08 -0.65 0.31 114.38 123.50 3giq h ARG 238 Ca 0.12 -0.53 0.00 0.00 0.07 0.00 0.00 59.98 59.64 3giq h ARG 238 Cb 0.60 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3giq h ARG 238 CO 0.04 1.16 0.00 0.41 -1.07 0.00 0.00 179.97 180.51 3giq n GLY 239 N 0.33 -1.47 0.00 0.04 0.00 -0.22 -4.06 105.19 99.81 3giq n GLY 239 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3giq n GLY 239 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3giq n THR 240 N -2.07 0.00 -1.00 2.61 -2.24 -0.79 -5.01 114.28 105.78 3giq n THR 240 Ca 0.04 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3giq n THR 240 Cb 0.33 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 3giq n THR 240 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3giq n GLY 241 N 1.11 0.45 3.71 3.38 0.00 0.11 -4.82 105.19 109.13 3giq n GLY 241 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3giq n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3giq n ALA 243 N 4.26 2.34 -2.53 0.00 0.00 -1.26 -4.64 120.51 118.67 3giq n ALA 243 Ca 0.11 0.37 -0.19 0.00 0.00 0.00 0.00 53.44 53.73 3giq n ALA 243 Cb 0.44 -2.43 -0.11 0.00 0.00 0.00 0.00 19.45 17.34 3giq n ALA 243 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3giq s THR 244 N -0.28 1.38 -0.05 0.00 2.01 0.16 -1.59 115.64 117.26 3giq s THR 244 Ca 0.62 -1.64 -0.01 0.00 0.31 0.00 0.00 61.69 60.97 3giq s THR 244 Cb -0.51 -1.48 0.03 0.00 0.01 0.00 0.00 72.50 70.55 3giq s THR 244 CO 0.52 -0.33 0.00 -0.69 -0.69 0.00 0.00 174.62 173.44 3giq s VAL 245 N -1.86 0.26 -0.52 3.82 1.01 -0.73 -1.38 120.40 121.00 3giq s VAL 245 Ca 0.07 0.13 -0.22 0.00 0.00 0.00 0.00 61.98 61.96 3giq s VAL 245 Cb -0.06 -0.40 0.05 0.00 0.00 0.00 0.00 36.38 35.96 3giq s VAL 245 CO 0.03 0.21 0.79 -0.69 0.00 0.00 0.00 175.10 175.44 3giq s VAL 246 N 1.58 4.62 0.45 2.92 1.01 -0.39 -0.69 120.40 129.91 3giq s VAL 246 Ca -0.02 -0.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.71 3giq s VAL 246 Cb -0.13 -4.41 -0.07 0.00 0.00 0.00 0.00 36.38 31.77 3giq s VAL 246 CO -0.03 -0.94 1.24 -0.44 0.00 0.00 0.00 175.10 174.93 3giq s SER 247 N 2.68 6.09 -0.36 3.32 0.01 -0.36 -2.61 113.70 122.47 3giq s SER 247 Ca 0.24 2.49 -0.08 0.00 1.31 0.00 0.00 55.95 59.90 3giq s SER 247 Cb -0.15 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.47 3giq s SER 247 CO 0.17 -0.99 0.21 0.00 0.41 0.00 0.00 173.24 173.04 3giq n HIS 248 N -0.34 -0.49 -1.82 2.43 -0.00 -0.98 -4.77 115.22 109.25 3giq n HIS 248 Ca 0.06 0.08 -0.41 0.00 -0.00 0.00 0.00 57.72 57.45 3giq n HIS 248 Cb 0.46 -0.88 -0.01 0.00 -0.00 0.00 0.00 29.99 29.56 3giq n HIS 248 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 3giq s HIS 249 N -3.94 2.74 0.17 -1.40 5.04 -0.42 -4.96 115.29 112.53 3giq s HIS 249 Ca 0.12 0.94 -0.24 0.00 -1.54 0.00 0.00 55.06 54.34 3giq s HIS 249 Cb -0.07 -4.02 0.07 0.00 0.04 0.00 0.00 32.58 28.61 3giq s HIS 249 CO 0.31 -3.26 0.98 -1.59 -2.34 0.00 0.00 174.74 168.84 3giq s LYS 250 N -1.01 1.28 -0.19 2.88 -2.85 -1.26 -4.85 119.74 113.75 3giq s LYS 250 Ca 0.59 -0.76 -0.02 0.00 -1.00 0.00 0.00 55.97 54.78 3giq s LYS 250 Cb -0.46 0.40 0.06 0.00 -2.06 0.00 0.00 37.83 35.76 3giq s LYS 250 CO 0.52 -0.59 0.02 0.00 0.10 0.00 0.00 175.35 175.40 3giq s MET 252 N 1.83 3.72 0.00 0.00 -1.94 0.21 -4.50 119.30 118.62 3giq s MET 252 Ca -0.01 0.11 0.00 0.00 -1.71 0.00 0.00 55.69 54.09 3giq s MET 252 Cb -0.17 -2.99 0.00 0.00 2.01 0.00 0.00 34.83 33.68 3giq s MET 252 CO -0.08 0.56 0.00 -1.33 -0.01 0.00 0.00 175.02 174.16 3giq n MET 253 N 0.84 0.00 -0.31 2.03 2.81 0.41 -4.40 117.12 118.48 3giq n MET 253 Ca -0.08 0.00 0.17 0.00 -1.81 0.00 0.00 57.70 55.99 3giq n MET 253 Cb 0.52 0.00 0.36 0.00 -0.71 0.00 0.00 33.22 33.40 3giq n MET 253 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 3giq h PRO 254 N 0.00 0.26 0.00 0.03 0.11 -1.92 0.16 132.00 130.64 3giq h PRO 254 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3giq h PRO 254 Cb 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.05 3giq h PRO 254 CO 0.00 0.17 0.00 0.00 -0.21 0.00 0.00 178.00 177.96 3giq n GLN 255 N -5.14 0.15 0.00 1.05 0.00 -1.26 -2.02 117.38 110.15 3giq n GLN 255 Ca 0.26 0.55 0.06 0.00 0.00 0.00 0.00 57.00 57.87 3giq n GLN 255 Cb 0.80 -1.89 -0.02 0.00 0.00 0.00 0.00 30.24 29.13 3giq n GLN 255 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3giq n ASN 256 N -2.18 1.24 -4.71 2.61 5.03 0.53 -4.99 115.26 112.79 3giq n ASN 256 Ca -0.00 -1.12 -0.42 0.00 0.87 0.00 0.00 54.58 53.91 3giq n ASN 256 Cb 0.10 0.59 -0.03 0.00 -1.02 0.00 0.00 39.78 39.42 3giq n ASN 256 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 3giq s TRP 257 N -1.76 2.81 0.00 3.10 0.51 -0.86 -1.91 118.94 120.83 3giq s TRP 257 Ca 0.10 0.36 0.00 0.00 -2.12 0.00 0.00 56.10 54.43 3giq s TRP 257 Cb 0.10 -4.08 0.00 0.00 -0.81 0.00 0.00 33.47 28.68 3giq s TRP 257 CO 0.37 -4.16 0.00 0.41 -0.51 0.00 0.00 176.95 173.07 3giq n GLY 258 N 3.96 2.14 0.10 0.98 0.00 -1.26 -4.93 105.19 106.19 3giq n GLY 258 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 3giq n GLY 258 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3giq n ARG 259 N -1.49 0.11 0.29 1.61 1.74 -0.80 -2.11 116.66 116.00 3giq n ARG 259 Ca 0.00 0.52 0.16 0.00 -0.77 0.00 0.00 57.85 57.76 3giq n ARG 259 Cb 0.00 -1.79 0.84 0.00 -1.02 0.00 0.00 32.46 30.49 3giq n ARG 259 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3giq h SER 260 N 0.00 0.00 -0.85 0.55 4.64 -1.92 -1.14 113.55 114.83 3giq h SER 260 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3giq h SER 260 Cb 0.11 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.16 3giq h SER 260 CO 0.00 0.06 0.44 0.03 -0.87 0.00 0.00 176.83 176.49 3giq h ARG 261 N 0.00 1.21 -0.04 4.77 3.08 -1.85 0.15 114.38 121.70 3giq h ARG 261 Ca -0.00 -0.16 -0.15 0.00 0.07 0.00 0.00 59.98 59.74 3giq h ARG 261 Cb 0.29 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 30.12 3giq h ARG 261 CO 0.01 0.91 -0.56 0.00 -1.07 0.00 0.00 179.97 179.25 3giq h ALA 262 N 1.27 0.12 -0.27 0.04 0.00 -1.45 -2.68 119.26 116.30 3giq h ALA 262 Ca 0.30 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3giq h ALA 262 Cb 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3giq h ALA 262 CO -0.04 0.36 0.04 1.79 0.00 0.00 0.00 179.25 181.40 3giq h THR 263 N -0.02 1.23 -0.49 0.00 1.35 -1.19 -0.76 112.91 113.03 3giq h THR 263 Ca -0.06 -0.79 -0.04 0.00 -0.55 0.00 0.00 66.41 64.97 3giq h THR 263 Cb 1.25 1.22 -0.02 0.00 -1.73 0.00 0.00 68.15 68.86 3giq h THR 263 CO 0.11 0.25 0.12 -0.07 -0.25 0.00 0.00 175.52 175.69 3giq h LEU 264 N 0.27 0.68 -0.59 3.87 3.38 -0.82 0.69 115.31 122.80 3giq h LEU 264 Ca 0.08 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3giq h LEU 264 Cb 0.34 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3giq h LEU 264 CO 0.01 0.67 0.10 0.00 0.09 0.00 0.00 178.44 179.31 3giq h ALA 265 N 1.42 0.78 -0.60 1.53 0.00 -1.24 -0.44 119.26 120.71 3giq h ALA 265 Ca 0.16 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3giq h ALA 265 Cb 0.26 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3giq h ALA 265 CO -0.00 0.52 -0.02 -0.97 0.00 0.00 0.00 179.25 178.78 3giq h ASN 266 N 0.87 1.05 -0.48 0.00 -1.24 -0.43 -1.92 115.58 113.41 3giq h ASN 266 Ca 0.18 -0.31 -0.02 0.00 0.71 0.00 0.00 56.30 56.86 3giq h ASN 266 Cb 0.41 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.15 3giq h ASN 266 CO 0.01 1.11 0.22 0.40 -1.29 0.00 0.00 177.43 177.88 3giq h ILE 267 N 0.96 1.19 -0.71 2.57 2.04 -0.58 -1.59 117.51 121.40 3giq h ILE 267 Ca 0.17 -0.57 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 3giq h ILE 267 Cb 0.58 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3giq h ILE 267 CO 0.03 0.22 0.30 0.44 0.00 0.00 0.00 178.15 179.15 3giq h ASP 268 N 0.64 0.96 -0.63 1.72 3.32 -0.90 -1.71 116.42 119.81 3giq h ASP 268 Ca 0.17 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 3giq h ASP 268 Cb 0.14 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 3giq h ASP 268 CO -0.02 0.85 0.17 0.03 -1.72 0.00 0.00 179.24 178.56 3giq h ARG 269 N 1.00 1.03 -0.80 3.56 3.08 -1.14 -1.27 114.38 119.84 3giq h ARG 269 Ca 0.24 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3giq h ARG 269 Cb 0.18 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 3giq h ARG 269 CO -0.02 0.90 0.42 0.00 -1.07 0.00 0.00 179.97 180.20 3giq h ALA 270 N 1.20 1.23 -0.34 0.04 0.00 -0.88 -0.62 119.26 119.89 3giq h ALA 270 Ca 0.21 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3giq h ALA 270 Cb 0.33 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3giq h ALA 270 CO -0.00 0.61 -0.11 -0.09 0.00 0.00 0.00 179.25 179.65 3giq h ARG 271 N 1.12 0.59 -0.23 0.00 2.43 -0.67 -1.21 114.38 116.41 3giq h ARG 271 Ca 0.28 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3giq h ARG 271 Cb 0.06 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 3giq h ARG 271 CO -0.04 0.70 0.05 0.93 -1.51 0.00 0.00 179.97 180.09 3giq h GLU 272 N 0.54 0.32 0.00 0.20 5.08 -0.01 -1.02 114.58 119.69 3giq h GLU 272 Ca 0.10 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3giq h GLU 272 Cb 0.52 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3giq h GLU 272 CO 0.03 0.31 0.00 1.96 -1.00 0.00 0.00 179.01 180.31 3giq h GLN 273 N 0.32 0.00 0.00 2.33 4.20 -0.24 -3.47 115.11 118.26 3giq h GLN 273 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3giq h GLN 273 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3giq h GLN 273 CO -0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 3giq n GLY 274 N 0.72 0.99 3.71 3.46 0.00 -0.39 -5.10 105.19 108.58 3giq n GLY 274 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3giq n GLY 274 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3giq s VAL 275 N -2.00 4.00 -0.63 1.61 1.01 -0.56 -4.96 120.40 118.88 3giq s VAL 275 Ca 0.00 1.41 -0.24 0.00 0.00 0.00 0.00 61.98 63.15 3giq s VAL 275 Cb 0.00 -3.91 0.05 0.00 0.00 0.00 0.00 36.38 32.52 3giq s VAL 275 CO 0.00 0.08 1.01 -0.70 0.00 0.00 0.00 175.10 175.49 3giq s GLU 276 N 1.38 3.22 0.00 2.72 2.12 -1.26 -4.04 118.70 122.85 3giq s GLU 276 Ca 0.59 -0.48 0.01 0.00 0.36 0.00 0.00 54.97 55.45 3giq s GLU 276 Cb -0.29 -4.14 -0.01 0.00 0.26 0.00 0.00 34.13 29.95 3giq s GLU 276 CO 0.28 -1.73 -0.04 0.54 -0.54 0.00 0.00 175.26 173.77 3giq s VAL 277 N 4.31 0.27 0.34 3.70 0.11 -1.26 0.36 120.40 128.23 3giq s VAL 277 Ca 0.28 -0.29 0.07 0.00 -2.93 0.00 0.00 61.98 59.11 3giq s VAL 277 Cb -0.13 -0.26 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 3giq s VAL 277 CO 0.15 -0.01 0.27 0.00 -3.33 0.00 0.00 175.10 172.17 3giq s ALA 278 N -0.31 1.98 0.28 1.54 0.00 -0.48 -4.99 121.76 119.78 3giq s ALA 278 Ca -0.01 -1.99 -0.10 0.00 0.00 0.00 0.00 51.96 49.86 3giq s ALA 278 Cb -0.03 1.41 -0.00 0.00 0.00 0.00 0.00 23.12 24.50 3giq s ALA 278 CO -0.00 -0.63 0.48 -0.48 0.00 0.00 0.00 175.76 175.12 3giq s LEU 279 N -3.40 0.50 0.10 0.00 2.34 -0.93 -1.26 118.68 116.04 3giq s LEU 279 Ca 0.39 -1.09 -0.12 0.00 0.06 0.00 0.00 54.13 53.37 3giq s LEU 279 Cb 0.02 1.69 0.01 0.00 -0.56 0.00 0.00 46.19 47.36 3giq s LEU 279 CO 0.27 -1.20 0.28 1.51 -1.06 0.00 0.00 176.35 176.15 3giq s ASP 280 N -3.08 -0.03 0.17 1.48 1.47 -1.07 0.28 116.67 115.89 3giq s ASP 280 Ca 0.25 -0.50 -0.09 0.00 1.18 0.00 0.00 52.55 53.39 3giq s ASP 280 Cb -0.00 0.40 -0.01 0.00 -0.34 0.00 0.00 42.92 42.96 3giq s ASP 280 CO 0.12 -0.78 0.29 0.27 0.68 0.00 0.00 175.17 175.75 3giq s ILE 281 N -3.81 0.06 -0.02 2.11 -5.25 -0.74 -1.30 121.20 112.25 3giq s ILE 281 Ca 0.04 -1.39 0.06 0.00 -0.99 0.00 0.00 60.65 58.37 3giq s ILE 281 Cb 0.03 -1.87 -0.02 0.00 2.95 0.00 0.00 42.46 43.55 3giq s ILE 281 CO -0.11 -0.27 -0.20 -0.72 -1.79 0.00 0.00 174.94 171.84 3giq s TYR 282 N -3.97 2.51 0.00 1.37 -0.85 -1.23 -1.02 117.35 114.16 3giq s TYR 282 Ca 0.18 -0.30 -0.03 0.00 -0.52 0.00 0.00 57.07 56.40 3giq s TYR 282 Cb 0.03 -1.55 -0.15 0.00 0.38 0.00 0.00 41.96 40.67 3giq s TYR 282 CO 0.01 0.10 2.32 -0.35 -1.52 0.00 0.00 175.55 176.10 3giq n PRO 283 N 2.25 1.17 -3.96 -3.49 -0.04 -1.26 -4.85 135.00 124.82 3giq n PRO 283 Ca -0.17 -0.57 -0.09 0.00 -0.04 0.00 0.00 63.50 62.63 3giq n PRO 283 Cb 0.52 -1.76 -0.10 0.00 -0.04 0.00 0.00 33.50 32.11 3giq n PRO 283 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3giq s TYR 284 N 1.72 0.23 -0.95 0.54 2.02 -1.26 -5.02 117.35 114.64 3giq s TYR 284 Ca 0.38 -0.50 0.10 0.00 -0.37 0.00 0.00 57.07 56.68 3giq s TYR 284 Cb 0.18 -0.17 0.46 0.00 -0.40 0.00 0.00 41.96 42.03 3giq s TYR 284 CO 0.00 -0.25 1.26 -0.35 -1.57 0.00 0.00 175.55 174.64 3giq n PRO 285 N 1.30 2.96 -4.45 -1.71 -0.04 -1.26 -4.85 135.00 126.95 3giq n PRO 285 Ca -0.22 -1.79 -0.20 0.00 -0.04 0.00 0.00 63.50 61.25 3giq n PRO 285 Cb 0.56 -1.79 -0.15 0.00 -0.04 0.00 0.00 33.50 32.09 3giq n PRO 285 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3giq s GLY 286 N -0.61 0.58 0.54 0.55 0.00 -1.26 -1.93 107.32 105.20 3giq s GLY 286 Ca 0.32 -0.54 0.08 0.00 0.00 0.00 0.00 44.72 44.58 3giq s GLY 286 CO 0.12 -0.47 0.64 -1.35 0.00 0.00 0.00 173.10 172.04 3giq s SER 287 N -0.43 5.00 -0.25 1.64 1.04 0.25 -4.88 113.70 116.06 3giq s SER 287 Ca 0.03 -0.93 -0.15 0.00 0.48 0.00 0.00 55.95 55.39 3giq s SER 287 Cb -0.05 0.21 0.07 0.00 0.10 0.00 0.00 66.02 66.36 3giq s SER 287 CO -0.00 -1.19 0.62 -0.55 0.98 0.00 0.00 173.24 173.10 3giq s SER 288 N -4.50 -0.83 0.00 7.02 0.15 -1.26 -0.99 113.70 113.29 3giq s SER 288 Ca 0.52 1.36 0.00 0.00 0.70 0.00 0.00 55.95 58.54 3giq s SER 288 Cb -0.05 1.25 0.00 0.00 -1.71 0.00 0.00 66.02 65.51 3giq s SER 288 CO 0.33 -0.23 0.00 1.07 1.20 0.00 0.00 173.24 175.61 3giq n THR 289 N 4.20 0.00 -1.51 6.45 5.66 -0.85 -5.00 114.28 123.23 3giq n THR 289 Ca -0.20 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.47 3giq n THR 289 Cb 0.58 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 69.44 3giq n THR 289 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3giq s ILE 290 N -2.05 2.90 0.01 1.09 -4.36 -1.26 -0.64 121.20 116.89 3giq s ILE 290 Ca 0.00 0.39 -0.30 0.00 -0.26 0.00 0.00 60.65 60.48 3giq s ILE 290 Cb 0.00 -2.88 -0.04 0.00 1.25 0.00 0.00 42.46 40.79 3giq s ILE 290 CO 0.00 -0.28 1.15 -0.22 0.24 0.00 0.00 174.94 175.83 3giq s LEU 291 N -5.24 4.34 -0.32 0.37 2.96 0.43 -4.45 118.68 116.77 3giq s LEU 291 Ca 0.68 1.87 0.02 0.00 -0.22 0.00 0.00 54.13 56.48 3giq s LEU 291 Cb -0.23 -3.57 0.08 0.00 0.50 0.00 0.00 46.19 42.97 3giq s LEU 291 CO 0.46 -0.47 0.01 -0.63 -1.32 0.00 0.00 176.35 174.40 3giq s ILE 292 N 1.45 2.54 0.38 6.68 1.01 -1.26 -4.84 121.20 127.15 3giq s ILE 292 Ca 0.56 -1.89 0.17 0.00 0.00 0.00 0.00 60.65 59.49 3giq s ILE 292 Cb -0.26 -2.65 0.37 0.00 0.01 0.00 0.00 42.46 39.93 3giq s ILE 292 CO 0.26 -0.33 1.75 -0.65 0.00 0.00 0.00 174.94 175.97 3giq h PRO 293 N 7.80 0.42 -0.01 2.79 0.11 -1.91 -0.95 132.00 140.25 3giq h PRO 293 Ca -0.13 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3giq h PRO 293 Cb 1.04 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 3giq h PRO 293 CO 0.53 0.28 0.03 0.93 -0.21 0.00 0.00 178.00 179.56 3giq h GLU 294 N 0.43 0.00 -0.00 1.05 3.07 -1.94 -0.98 114.58 116.20 3giq h GLU 294 Ca 0.62 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.48 3giq h GLU 294 Cb 1.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.38 3giq h GLU 294 CO -0.35 0.00 -0.34 0.54 -1.40 0.00 0.00 179.01 177.47 3giq n ARG 295 N -3.33 0.08 -0.26 2.33 1.74 -0.36 -4.24 116.66 112.62 3giq n ARG 295 Ca -0.03 -0.04 0.20 0.00 -0.77 0.00 0.00 57.85 57.22 3giq n ARG 295 Cb 0.11 -1.50 0.53 0.00 -1.02 0.00 0.00 32.46 30.58 3giq n ARG 295 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3giq h ALA 296 N 3.07 2.26 -0.53 7.54 0.00 -1.29 -1.10 119.26 129.21 3giq h ALA 296 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3giq h ALA 296 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3giq h ALA 296 CO 0.00 -0.57 0.00 0.39 0.00 0.00 0.00 179.25 179.07 3giq n GLU 297 N -4.51 2.76 -0.00 0.00 4.71 -1.26 -4.47 120.64 117.87 3giq n GLU 297 Ca 0.20 -2.34 0.00 0.00 -0.01 0.00 0.00 57.16 55.02 3giq n GLU 297 Cb 0.75 -1.42 -0.00 0.00 -1.01 0.00 0.00 31.44 29.76 3giq n GLU 297 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3giq n THR 298 N 1.09 0.01 -4.46 2.62 -2.24 -0.62 -5.01 114.28 105.67 3giq n THR 298 Ca 0.18 -0.01 -0.29 0.00 -2.27 0.00 0.00 64.05 61.65 3giq n THR 298 Cb 0.52 0.01 -0.17 0.00 -2.10 0.00 0.00 70.33 68.60 3giq n THR 298 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3giq s ILE 299 N -2.03 1.57 0.57 2.28 1.01 -0.52 -5.11 121.20 118.98 3giq s ILE 299 Ca -0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 60.65 59.91 3giq s ILE 299 Cb 0.00 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 41.04 3giq s ILE 299 CO 0.02 0.45 0.87 -1.81 0.00 0.00 0.00 174.94 174.48 3giq s ASP 300 N 0.99 5.72 -1.57 3.58 1.01 -1.26 -4.39 116.67 120.74 3giq s ASP 300 Ca -0.06 0.73 -0.04 0.00 0.71 0.00 0.00 52.55 53.89 3giq s ASP 300 Cb -0.15 -1.79 0.01 0.00 1.01 0.00 0.00 42.92 42.00 3giq s ASP 300 CO -0.02 -0.97 0.54 0.47 0.21 0.00 0.00 175.17 175.40 3giq n ASP 301 N -2.51 -5.98 -4.65 0.27 8.00 -1.26 -4.59 116.55 105.83 3giq n ASP 301 Ca 0.04 -0.26 -0.43 0.00 0.71 0.00 0.00 54.79 54.85 3giq n ASP 301 Cb 0.57 -4.85 -0.03 0.00 -0.02 0.00 0.00 41.12 36.79 3giq n ASP 301 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3giq s ILE 302 N -3.15 3.61 -0.18 0.53 1.01 -1.26 -4.67 121.20 117.09 3giq s ILE 302 Ca 0.28 0.72 -0.07 0.00 0.00 0.00 0.00 60.65 61.57 3giq s ILE 302 Cb -0.12 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 3giq s ILE 302 CO 0.34 -0.14 0.06 -0.60 0.00 0.00 0.00 174.94 174.60 3giq s ARG 303 N 4.34 3.96 0.12 2.79 3.52 -0.99 -0.33 118.95 132.36 3giq s ARG 303 Ca 0.73 -0.35 -0.30 0.00 -0.13 0.00 0.00 55.73 55.68 3giq s ARG 303 Cb -0.30 -3.20 -0.07 0.00 -1.56 0.00 0.00 34.95 29.82 3giq s ARG 303 CO 0.29 0.27 1.15 0.42 -0.81 0.00 0.00 175.30 176.62 3giq s ILE 304 N 0.38 3.95 -0.09 4.11 -1.09 -0.22 -0.12 121.20 128.12 3giq s ILE 304 Ca 0.03 1.53 0.19 0.00 -2.23 0.00 0.00 60.65 60.17 3giq s ILE 304 Cb -0.12 -3.98 -0.28 0.00 -1.58 0.00 0.00 42.46 36.49 3giq s ILE 304 CO 0.00 0.19 0.30 0.35 -1.23 0.00 0.00 174.94 174.56 3giq n THR 305 N 3.11 0.48 -3.60 2.92 -2.24 -0.26 0.73 114.28 115.43 3giq n THR 305 Ca 0.06 -0.59 -0.05 0.00 -2.27 0.00 0.00 64.05 61.20 3giq n THR 305 Cb 0.46 -0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.50 3giq n THR 305 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 3giq s TRP 306 N -3.05 -0.15 -0.26 4.78 1.48 -1.24 -0.92 118.94 119.59 3giq s TRP 306 Ca -0.08 0.16 -0.10 0.00 -1.06 0.00 0.00 56.10 55.02 3giq s TRP 306 Cb 0.10 0.50 0.10 0.00 -1.16 0.00 0.00 33.47 33.02 3giq s TRP 306 CO 0.82 -0.20 0.57 0.45 -4.06 0.00 0.00 176.95 174.53 3giq s SER 307 N -1.77 -0.81 0.05 -2.66 0.15 -1.26 -0.85 113.70 106.55 3giq s SER 307 Ca 0.07 1.34 -0.25 0.00 0.70 0.00 0.00 55.95 57.82 3giq s SER 307 Cb -0.01 1.74 -0.17 0.00 -1.71 0.00 0.00 66.02 65.88 3giq s SER 307 CO -0.05 -0.22 1.57 0.74 1.20 0.00 0.00 173.24 176.48 3giq h THR 308 N 5.83 1.02 0.00 6.45 2.02 -1.48 -1.81 112.91 124.94 3giq h THR 308 Ca -0.21 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 3giq h THR 308 Cb 1.13 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 68.77 3giq h THR 308 CO 0.13 0.08 -0.03 1.55 0.37 0.00 0.00 175.52 177.63 3giq h PRO 309 N -0.26 0.00 -2.06 6.66 0.13 -1.80 -3.37 132.00 131.30 3giq h PRO 309 Ca -0.01 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.57 3giq h PRO 309 Cb 0.22 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 30.95 3giq h PRO 309 CO 0.02 0.03 -1.01 0.72 -0.23 0.00 0.00 178.00 177.53 3giq n HIS 310 N -3.11 0.82 0.23 1.56 8.25 -1.17 -4.93 115.22 116.86 3giq n HIS 310 Ca 0.03 -3.76 0.14 0.00 -0.26 0.00 0.00 57.72 53.87 3giq n HIS 310 Cb 0.48 -0.41 0.76 0.00 1.12 0.00 0.00 29.99 31.93 3giq n HIS 310 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3giq h PRO 311 N 3.68 0.00 0.00 -0.41 0.13 -1.50 -1.76 132.00 132.13 3giq h PRO 311 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3giq h PRO 311 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3giq h PRO 311 CO 0.56 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.38 3giq h GLU 312 N 0.00 0.00 -0.01 0.86 9.09 -1.92 -3.16 114.58 119.44 3giq h GLU 312 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3giq h GLU 312 Cb 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.13 3giq h GLU 312 CO 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 179.01 179.05 3giq n SER 314 N -0.18 4.02 0.00 0.00 7.64 -1.20 -1.40 113.62 122.50 3giq n SER 314 Ca 0.20 1.06 0.00 0.00 1.01 0.00 0.00 58.87 61.14 3giq n SER 314 Cb 0.29 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 61.91 3giq n SER 314 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3giq n GLY 315 N 3.99 0.99 3.91 0.23 0.00 0.22 -4.97 105.19 109.56 3giq n GLY 315 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 3giq n GLY 315 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3giq s GLU 316 N -0.73 3.60 0.19 1.61 2.02 -0.49 -4.77 118.70 120.13 3giq s GLU 316 Ca 0.00 -0.03 -0.26 0.00 0.02 0.00 0.00 54.97 54.70 3giq s GLU 316 Cb 0.00 -2.63 -0.08 0.00 0.10 0.00 0.00 34.13 31.52 3giq s GLU 316 CO 0.00 0.17 0.81 0.71 0.02 0.00 0.00 175.26 176.97 3giq s TYR 317 N -2.18 3.91 0.33 1.61 2.02 -1.26 -1.06 117.35 120.72 3giq s TYR 317 Ca 0.44 1.69 0.05 0.00 -0.37 0.00 0.00 57.07 58.87 3giq s TYR 317 Cb -0.10 -2.81 0.69 0.00 -0.40 0.00 0.00 41.96 39.34 3giq s TYR 317 CO 0.32 0.49 1.89 1.25 -1.57 0.00 0.00 175.55 177.93 3giq h LEU 318 N 4.20 0.76 -0.85 -1.29 5.85 -1.03 -1.68 115.31 121.27 3giq h LEU 318 Ca -0.47 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 3giq h LEU 318 Cb 1.20 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 3giq h LEU 318 CO 0.66 0.44 0.45 0.00 -0.34 0.00 0.00 178.44 179.64 3giq h ALA 319 N 1.57 1.09 -0.24 1.25 0.00 -1.93 -0.96 119.26 120.04 3giq h ALA 319 Ca 0.42 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 55.03 3giq h ALA 319 Cb 0.47 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3giq h ALA 319 CO -0.18 0.61 -0.49 -0.44 0.00 0.00 0.00 179.25 178.75 3giq h ASP 320 N 1.19 0.72 -0.09 0.00 3.32 -1.73 -1.86 116.42 117.96 3giq h ASP 320 Ca 0.30 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3giq h ASP 320 Cb 0.06 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 3giq h ASP 320 CO -0.04 1.09 0.03 0.40 -1.72 0.00 0.00 179.24 178.99 3giq h ILE 321 N 0.52 1.17 -0.47 0.35 2.04 -1.12 -1.80 117.51 118.20 3giq h ILE 321 Ca 0.02 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.38 3giq h ILE 321 Cb 1.04 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 3giq h ILE 321 CO 0.10 0.15 0.27 0.00 0.00 0.00 0.00 178.15 178.67 3giq h ALA 322 N 0.84 0.59 -1.00 1.87 0.00 -1.16 -1.04 119.26 119.37 3giq h ALA 322 Ca 0.03 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3giq h ALA 322 Cb 0.21 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3giq h ALA 322 CO -0.00 -0.05 0.66 0.00 0.00 0.00 0.00 179.25 179.86 3giq h ALA 323 N 1.22 1.29 -0.41 0.00 0.00 -1.22 0.12 119.26 120.25 3giq h ALA 323 Ca 0.19 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3giq h ALA 323 Cb 0.04 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3giq h ALA 323 CO -0.10 0.62 -0.24 -0.09 0.00 0.00 0.00 179.25 179.45 3giq h ARG 324 N 1.32 0.84 0.00 0.00 2.43 -0.77 -2.94 114.38 115.26 3giq h ARG 324 Ca 0.38 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3giq h ARG 324 Cb -0.10 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 3giq h ARG 324 CO -0.10 0.99 -0.05 -1.49 -1.51 0.00 0.00 179.97 177.81 3giq h TRP 325 N 0.73 0.00 -0.74 2.20 6.55 -0.61 -3.47 115.95 120.60 3giq h TRP 325 Ca 0.10 0.00 -0.07 0.00 0.95 0.00 0.00 58.89 59.87 3giq h TRP 325 Cb 0.77 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.07 3giq h TRP 325 CO 0.04 0.00 -0.09 0.41 -1.05 0.00 0.00 178.44 177.75 3giq n GLY 326 N 1.27 0.31 3.35 1.49 0.00 0.36 -5.05 105.19 106.92 3giq n GLY 326 Ca 0.05 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 45.19 3giq n GLY 326 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3giq s ASP 328 N -3.35 4.88 0.37 0.00 1.47 -1.26 -4.33 116.67 114.44 3giq s ASP 328 Ca 0.37 1.15 0.04 0.00 1.18 0.00 0.00 52.55 55.30 3giq s ASP 328 Cb 0.08 -1.88 0.71 0.00 -0.34 0.00 0.00 42.92 41.49 3giq s ASP 328 CO 0.14 -1.70 2.01 0.11 0.68 0.00 0.00 175.17 176.41 3giq h LYS 329 N -0.91 0.74 -0.47 2.11 1.57 -1.92 -1.60 116.57 116.10 3giq h LYS 329 Ca -0.46 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.19 3giq h LYS 329 Cb 1.27 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 3giq h LYS 329 CO 0.62 0.49 -0.02 1.15 -0.57 0.00 0.00 179.45 181.12 3giq h THR 330 N 0.77 1.26 -0.51 -0.16 2.02 -1.90 -0.52 112.91 113.88 3giq h THR 330 Ca 0.23 -1.10 -0.05 0.00 0.77 0.00 0.00 66.41 66.26 3giq h THR 330 Cb -0.00 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3giq h THR 330 CO -0.06 0.38 0.12 0.74 0.37 0.00 0.00 175.52 177.07 3giq h THR 331 N 0.70 1.24 -0.62 3.16 2.02 -1.84 -1.63 112.91 115.95 3giq h THR 331 Ca 0.13 -0.86 0.01 0.00 0.77 0.00 0.00 66.41 66.46 3giq h THR 331 Cb 0.54 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 3giq h THR 331 CO 0.03 0.31 0.41 0.00 0.37 0.00 0.00 175.52 176.64 3giq h ALA 332 N 0.99 0.79 -0.85 6.16 0.00 -1.11 -1.47 119.26 123.77 3giq h ALA 332 Ca 0.16 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3giq h ALA 332 Cb 0.34 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3giq h ALA 332 CO 0.00 0.21 0.56 0.00 0.00 0.00 0.00 179.25 180.02 3giq h ALA 333 N 1.23 1.08 -0.58 0.00 0.00 -0.77 -1.12 119.26 119.10 3giq h ALA 333 Ca 0.23 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3giq h ALA 333 Cb -0.09 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.33 3giq h ALA 333 CO -0.05 0.50 0.04 0.00 0.00 0.00 0.00 179.25 179.73 3giq h ARG 334 N 1.16 0.98 0.00 0.00 3.08 -0.77 -2.54 114.38 116.29 3giq h ARG 334 Ca 0.31 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 3giq h ARG 334 Cb -0.13 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 3giq h ARG 334 CO -0.07 0.94 -0.26 0.00 -1.07 0.00 0.00 179.97 179.51 3giq h ARG 335 N 0.91 0.00 0.00 0.04 3.08 -0.67 -2.82 114.38 114.91 3giq h ARG 335 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3giq h ARG 335 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3giq h ARG 335 CO 0.02 0.26 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.08 3giq h LEU 336 N 0.00 0.00 -9.92 3.04 3.38 -0.81 -3.46 115.31 107.54 3giq h LEU 336 Ca -0.00 -0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.43 3giq h LEU 336 Cb 0.67 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.51 3giq h LEU 336 CO 0.03 0.00 0.71 0.00 0.09 0.00 0.00 178.44 179.27 3giq s ALA 337 N -3.18 3.50 0.27 1.53 0.00 -1.06 -3.75 121.76 119.07 3giq s ALA 337 Ca 0.08 1.42 -0.29 0.00 0.00 0.00 0.00 51.96 53.17 3giq s ALA 337 Cb 0.07 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.55 3giq s ALA 337 CO 0.65 -0.89 1.00 -1.25 0.00 0.00 0.00 175.76 175.28 3giq s PRO 338 N -2.01 4.71 0.28 0.00 0.04 -1.26 -4.62 135.00 132.14 3giq s PRO 338 Ca 0.52 1.57 -0.12 0.00 0.04 0.00 0.00 61.00 63.01 3giq s PRO 338 Cb -0.43 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 30.96 3giq s PRO 338 CO 0.58 0.35 0.52 0.00 0.04 0.00 0.00 177.00 178.49 3giq s ALA 339 N -1.26 -0.16 0.26 8.56 0.00 -1.25 -1.62 121.76 126.30 3giq s ALA 339 Ca 0.44 -0.95 0.06 0.00 0.00 0.00 0.00 51.96 51.51 3giq s ALA 339 Cb -0.27 1.04 -0.05 0.00 0.00 0.00 0.00 23.12 23.84 3giq s ALA 339 CO 0.34 -0.86 -0.05 0.20 0.00 0.00 0.00 175.76 175.38 3giq s GLY 340 N -3.06 1.70 0.25 0.00 0.00 -0.03 -0.43 107.32 105.75 3giq s GLY 340 Ca 0.23 -1.83 -0.22 0.00 0.00 0.00 0.00 44.72 42.90 3giq s GLY 340 CO 0.11 -1.77 0.73 0.00 0.00 0.00 0.00 173.10 172.16 3giq s ALA 341 N -3.14 -1.32 -0.10 3.20 0.00 0.19 -1.10 121.76 119.49 3giq s ALA 341 Ca 0.28 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.11 3giq s ALA 341 Cb 0.04 0.83 -0.02 0.00 0.00 0.00 0.00 23.12 23.97 3giq s ALA 341 CO 0.10 -1.00 -0.12 0.42 0.00 0.00 0.00 175.76 175.17 3giq s ILE 342 N -3.83 3.22 -0.25 0.00 1.01 0.82 -2.00 121.20 120.16 3giq s ILE 342 Ca 0.10 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.13 3giq s ILE 342 Cb -0.05 -2.32 0.05 0.00 0.01 0.00 0.00 42.46 40.15 3giq s ILE 342 CO 0.04 0.55 -0.10 -0.31 0.00 0.00 0.00 174.94 175.12 3giq s TYR 343 N -0.16 3.17 -1.00 3.97 2.02 -0.16 -2.35 117.35 122.85 3giq s TYR 343 Ca 0.00 -2.04 -0.18 0.00 -0.37 0.00 0.00 57.07 54.48 3giq s TYR 343 Cb -0.13 -1.98 0.13 0.00 -0.40 0.00 0.00 41.96 39.58 3giq s TYR 343 CO 0.03 -0.83 1.21 -0.06 -1.57 0.00 0.00 175.55 174.33 3giq s PHE 344 N 1.19 3.16 -0.01 2.71 0.08 -1.26 -0.58 117.98 123.26 3giq s PHE 344 Ca -0.05 -1.51 0.02 0.00 0.12 0.00 0.00 56.93 55.50 3giq s PHE 344 Cb -0.18 -4.32 0.02 0.00 -0.57 0.00 0.00 43.02 37.97 3giq s PHE 344 CO -0.05 -1.50 0.76 0.00 -0.10 0.00 0.00 175.22 174.32 3giq n ALA 345 N 6.53 1.51 -2.55 5.36 0.00 -1.20 -4.87 120.51 125.29 3giq n ALA 345 Ca 0.27 -0.87 -0.24 0.00 0.00 0.00 0.00 53.44 52.60 3giq n ALA 345 Cb 0.48 -0.13 -0.08 0.00 0.00 0.00 0.00 19.45 19.71 3giq n ALA 345 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3giq s MET 346 N -0.43 2.07 -0.42 0.00 -1.94 -0.81 -0.45 119.30 117.32 3giq s MET 346 Ca 0.03 -1.66 -0.16 0.00 -1.71 0.00 0.00 55.69 52.19 3giq s MET 346 Cb 0.02 -1.97 0.02 0.00 2.01 0.00 0.00 34.83 34.92 3giq s MET 346 CO 0.00 0.23 0.36 0.34 -0.01 0.00 0.00 175.02 175.94 3giq s ASP 347 N -3.67 6.14 0.52 3.03 -1.08 -1.26 -4.80 116.67 115.56 3giq s ASP 347 Ca 0.33 -0.84 0.27 0.00 -0.52 0.00 0.00 52.55 51.79 3giq s ASP 347 Cb -0.03 -2.19 1.40 0.00 -1.46 0.00 0.00 42.92 40.64 3giq s ASP 347 CO 0.19 -0.51 1.94 -0.08 0.52 0.00 0.00 175.17 177.23 3giq h GLU 348 N 8.68 0.04 -0.53 4.34 4.57 -1.93 0.25 114.58 130.01 3giq h GLU 348 Ca -0.27 -0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 57.84 3giq h GLU 348 Cb 1.12 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.67 3giq h GLU 348 CO 0.76 0.03 0.03 -0.44 -1.18 0.00 0.00 179.01 178.22 3giq h ASP 349 N 0.04 0.84 0.09 1.04 3.32 -2.00 -2.12 116.42 117.62 3giq h ASP 349 Ca 0.34 -0.20 -0.18 0.00 0.02 0.00 0.00 57.03 57.01 3giq h ASP 349 Cb 1.28 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.61 3giq h ASP 349 CO -0.02 0.88 -0.66 -0.08 -1.72 0.00 0.00 179.24 177.64 3giq h GLU 350 N 0.82 0.54 -0.56 3.56 4.81 -0.95 -2.34 114.58 120.45 3giq h GLU 350 Ca 0.16 -0.39 0.04 0.00 -0.13 0.00 0.00 59.36 59.04 3giq h GLU 350 Cb 0.44 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 3giq h GLU 350 CO 0.02 1.02 0.31 0.28 -0.73 0.00 0.00 179.01 179.91 3giq h VAL 351 N 0.39 1.00 -0.69 0.32 2.07 -0.99 0.04 116.25 118.39 3giq h VAL 351 Ca -0.02 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 3giq h VAL 351 Cb 1.23 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 3giq h VAL 351 CO 0.12 0.11 0.29 0.11 0.02 0.00 0.00 177.57 178.23 3giq h LYS 352 N 0.61 1.03 -0.70 1.57 1.57 -1.28 -1.65 116.57 117.71 3giq h LYS 352 Ca 0.24 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3giq h LYS 352 Cb 0.10 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 3giq h LYS 352 CO -0.14 0.84 0.35 0.00 -0.57 0.00 0.00 179.45 179.93 3giq h ARG 353 N 0.98 1.00 -0.55 3.15 3.08 -0.78 -1.14 114.38 120.12 3giq h ARG 353 Ca 0.23 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 3giq h ARG 353 Cb 0.18 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3giq h ARG 353 CO -0.02 0.78 0.24 0.82 -1.07 0.00 0.00 179.97 180.72 3giq h ILE 354 N 0.97 1.21 -0.88 2.04 2.04 -0.69 -2.51 117.51 119.69 3giq h ILE 354 Ca 0.24 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 3giq h ILE 354 Cb 0.10 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 3giq h ILE 354 CO -0.03 0.24 0.47 0.15 0.00 0.00 0.00 178.15 178.98 3giq h PHE 355 N 0.74 1.21 0.00 1.37 3.57 -0.94 -2.14 116.94 120.75 3giq h PHE 355 Ca 0.18 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 3giq h PHE 355 Cb 0.15 -0.39 -0.00 0.00 2.79 0.00 0.00 35.95 38.50 3giq h PHE 355 CO 0.00 0.84 -0.12 1.96 -2.23 0.00 0.00 178.31 178.77 3giq h GLN 356 N 1.23 0.00 -6.88 1.11 4.20 -0.86 -3.43 115.11 110.48 3giq h GLN 356 Ca 0.31 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.49 3giq h GLN 356 Cb 0.04 0.00 0.09 0.00 0.30 0.00 0.00 27.48 27.90 3giq h GLN 356 CO -0.05 0.12 0.75 -1.58 -0.67 0.00 0.00 178.83 177.40 3giq s HIS 357 N -4.20 2.80 0.45 2.96 2.46 -0.81 -4.93 115.29 114.03 3giq s HIS 357 Ca -0.03 1.18 -0.23 0.00 0.47 0.00 0.00 55.06 56.45 3giq s HIS 357 Cb 0.13 -3.90 -0.09 0.00 -0.13 0.00 0.00 32.58 28.59 3giq s HIS 357 CO 0.59 -2.68 1.05 -2.30 -2.47 0.00 0.00 174.74 168.92 3giq n PRO 358 N 1.00 1.37 -1.00 2.88 -0.02 -1.26 -2.58 135.00 135.39 3giq n PRO 358 Ca 0.02 0.50 -0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3giq n PRO 358 Cb 0.40 -2.13 -0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3giq n PRO 358 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3giq s MET 361 N 2.10 2.25 -0.21 0.00 -1.94 0.14 -4.88 119.30 116.77 3giq s MET 361 Ca 0.19 -1.31 -0.05 0.00 -1.71 0.00 0.00 55.69 52.81 3giq s MET 361 Cb -0.16 -2.56 -0.02 0.00 2.01 0.00 0.00 34.83 34.10 3giq s MET 361 CO 0.09 -0.91 0.01 0.08 -0.01 0.00 0.00 175.02 174.28 3giq s VAL 362 N -2.76 3.98 -0.16 -6.03 1.01 -1.26 -1.80 120.40 113.38 3giq s VAL 362 Ca 0.61 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.29 3giq s VAL 362 Cb -0.07 -2.81 0.03 0.00 0.00 0.00 0.00 36.38 33.54 3giq s VAL 362 CO 0.39 0.42 -0.09 -0.83 0.00 0.00 0.00 175.10 174.99 3giq s GLY 363 N 1.09 1.06 0.28 4.51 0.00 -0.19 -3.40 107.32 110.68 3giq s GLY 363 Ca 0.03 -0.91 -0.02 0.00 0.00 0.00 0.00 44.72 43.81 3giq s GLY 363 CO 0.02 0.75 1.84 1.48 0.00 0.00 0.00 173.10 177.19 3giq h SER 364 N 8.07 0.84 -4.13 1.64 4.64 -1.82 -3.25 113.55 119.53 3giq h SER 364 Ca -0.29 -0.13 -0.40 0.00 -0.47 0.00 0.00 61.79 60.50 3giq h SER 364 Cb 1.12 -0.22 0.02 0.00 -0.31 0.00 0.00 62.40 63.01 3giq h SER 364 CO 0.45 0.77 -0.57 -0.67 -0.87 0.00 0.00 176.83 175.95 3giq n ASP 365 N -4.30 -5.76 -4.77 4.97 2.03 -0.02 -4.61 116.55 104.10 3giq n ASP 365 Ca 0.05 -0.20 -0.39 0.00 0.52 0.00 0.00 54.79 54.78 3giq n ASP 365 Cb 0.19 -4.71 -0.01 0.00 -0.72 0.00 0.00 41.12 35.87 3giq n ASP 365 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3giq s GLY 366 N -2.49 2.89 -0.66 0.27 0.00 -1.26 -4.84 107.32 101.23 3giq s GLY 366 Ca 0.21 1.11 0.00 0.00 0.00 0.00 0.00 44.72 46.04 3giq s GLY 366 CO 0.26 1.65 0.47 1.08 0.00 0.00 0.00 173.10 176.56 3giq s LEU 367 N -2.55 5.01 0.65 0.66 1.43 -1.26 -4.04 118.68 118.59 3giq s LEU 367 Ca 0.58 -3.20 0.37 0.00 -1.03 0.00 0.00 54.13 50.85 3giq s LEU 367 Cb -0.34 -1.78 2.04 0.00 0.03 0.00 0.00 46.19 46.13 3giq s LEU 367 CO 0.44 -0.26 2.18 1.55 0.23 0.00 0.00 176.35 180.49 3giq h PRO 368 N 6.47 0.00 0.00 1.29 0.13 -1.86 -2.70 132.00 135.34 3giq h PRO 368 Ca 0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.15 3giq h PRO 368 Cb 0.88 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 3giq h PRO 368 CO 0.73 0.00 -0.77 -0.97 -0.23 0.00 0.00 178.00 176.76 3giq h ASN 369 N 0.00 0.00 -3.45 1.44 -0.73 -1.90 -3.48 115.58 107.46 3giq h ASN 369 Ca 0.01 0.00 -0.54 0.00 1.87 0.00 0.00 56.30 57.64 3giq h ASN 369 Cb 0.29 0.00 0.10 0.00 0.27 0.00 0.00 38.32 38.98 3giq h ASN 369 CO -0.00 0.03 0.80 0.47 -0.37 0.00 0.00 177.43 178.36 3giq n ASP 370 N -2.80 3.68 -0.06 1.15 9.92 -1.02 -4.94 116.55 122.49 3giq n ASP 370 Ca 0.01 1.18 -0.11 0.00 -0.53 0.00 0.00 54.79 55.34 3giq n ASP 370 Cb 0.56 -1.58 -0.04 0.00 -0.64 0.00 0.00 41.12 39.41 3giq n ASP 370 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3giq h ALA 371 N 3.96 0.27 -2.82 2.24 0.00 -1.79 -3.33 119.26 117.78 3giq h ALA 371 Ca -0.48 -0.11 -0.61 0.00 0.00 0.00 0.00 54.91 53.71 3giq h ALA 371 Cb 1.24 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 18.55 3giq h ALA 371 CO 0.73 -0.14 -0.75 0.50 0.00 0.00 0.00 179.25 179.59 3giq s ARG 372 N -5.56 1.65 0.88 0.00 6.06 -0.09 -5.05 118.95 116.84 3giq s ARG 372 Ca -0.14 -2.60 -0.11 0.00 -2.50 0.00 0.00 55.73 50.38 3giq s ARG 372 Cb 0.07 -2.49 0.12 0.00 0.06 0.00 0.00 34.95 32.72 3giq s ARG 372 CO 0.71 -1.29 1.09 -1.25 -2.50 0.00 0.00 175.30 172.06 3giq s PRO 373 N -0.50 1.37 0.24 5.12 0.04 -1.25 -4.46 135.00 135.55 3giq s PRO 373 Ca 0.26 0.92 -0.30 0.00 0.04 0.00 0.00 61.00 61.92 3giq s PRO 373 Cb -0.07 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.57 3giq s PRO 373 CO -0.13 -2.19 1.25 -1.58 0.04 0.00 0.00 177.00 174.38 3giq s HIS 374 N -2.90 3.31 0.16 0.56 5.65 -1.26 -4.64 115.29 116.17 3giq s HIS 374 Ca 0.63 1.39 0.24 0.00 0.25 0.00 0.00 55.06 57.57 3giq s HIS 374 Cb -0.18 -3.52 1.31 0.00 -1.18 0.00 0.00 32.58 29.01 3giq s HIS 374 CO 0.57 -1.49 1.71 -1.00 -0.65 0.00 0.00 174.74 173.88 3giq h PRO 375 N 4.66 0.00 -0.13 2.88 0.13 -1.79 -2.51 132.00 135.24 3giq h PRO 375 Ca -0.46 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.71 3giq h PRO 375 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3giq h PRO 375 CO 0.72 0.00 0.18 0.07 -0.23 0.00 0.00 178.00 178.74 3giq h ARG 376 N 0.00 0.00 -0.99 0.86 0.11 -1.88 -0.96 114.38 111.52 3giq h ARG 376 Ca 0.00 0.00 0.10 0.00 0.10 0.00 0.00 59.98 60.18 3giq h ARG 376 Cb 0.30 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.31 3giq h ARG 376 CO 0.00 0.00 0.63 1.25 0.10 0.00 0.00 179.97 181.95 3giq h LEU 377 N 0.00 0.94 0.00 0.08 5.85 -1.70 -3.01 115.31 117.47 3giq h LEU 377 Ca 0.06 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3giq h LEU 377 Cb 0.42 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.29 3giq h LEU 377 CO -0.00 0.53 -1.28 0.79 -0.34 0.00 0.00 178.44 178.15 3giq n TRP 378 N -4.57 0.00 -0.67 1.25 7.02 -0.48 -4.70 117.44 115.30 3giq n TRP 378 Ca 0.18 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.68 3giq n TRP 378 Cb 0.31 -0.20 0.03 0.00 -2.42 0.00 0.00 31.31 29.03 3giq n TRP 378 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3giq n GLY 379 N 1.67 1.84 0.46 6.99 0.00 -0.55 -4.52 105.19 111.08 3giq n GLY 379 Ca -0.01 -0.25 -0.17 0.00 0.00 0.00 0.00 46.02 45.59 3giq n GLY 379 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3giq h SER 380 N 0.00 -1.26 -0.53 1.61 0.02 -1.75 -0.04 113.55 111.62 3giq h SER 380 Ca 0.00 0.11 -0.11 0.00 -0.84 0.00 0.00 61.79 60.95 3giq h SER 380 Cb 0.82 0.42 -0.02 0.00 0.14 0.00 0.00 62.40 63.76 3giq h SER 380 CO 0.00 -0.60 -0.10 -0.26 -1.14 0.00 0.00 176.83 174.73 3giq h PHE 381 N -0.89 1.13 0.00 3.45 0.04 -1.88 -2.42 116.94 116.37 3giq h PHE 381 Ca -0.04 -0.23 -0.05 0.00 2.80 0.00 0.00 57.97 60.45 3giq h PHE 381 Cb 0.80 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 3giq h PHE 381 CO -0.26 1.04 -0.22 1.79 -0.60 0.00 0.00 178.31 180.06 3giq h THR 382 N 0.90 0.51 -0.13 -1.55 1.35 -1.77 -1.77 112.91 110.45 3giq h THR 382 Ca 0.14 -1.19 -0.19 0.00 -0.55 0.00 0.00 66.41 64.62 3giq h THR 382 Cb 0.66 1.84 -0.00 0.00 -1.73 0.00 0.00 68.15 68.92 3giq h THR 382 CO 0.05 0.22 -0.69 -0.09 -0.25 0.00 0.00 175.52 174.76 3giq h ARG 383 N 0.00 0.55 -0.15 4.72 2.43 -0.71 0.61 114.38 121.83 3giq h ARG 383 Ca -0.00 -0.42 -0.03 0.00 -0.81 0.00 0.00 59.98 58.72 3giq h ARG 383 Cb 0.82 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 3giq h ARG 383 CO 0.03 1.04 -0.02 0.28 -1.51 0.00 0.00 179.97 179.79 3giq h VAL 384 N 0.39 1.28 -0.58 0.20 2.07 -1.08 0.21 116.25 118.75 3giq h VAL 384 Ca -0.02 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.49 3giq h VAL 384 Cb 1.27 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 3giq h VAL 384 CO 0.13 0.28 0.11 -0.07 0.02 0.00 0.00 177.57 178.03 3giq h LEU 385 N 0.00 0.90 0.06 2.57 3.38 -1.29 0.13 115.31 121.06 3giq h LEU 385 Ca 0.04 -0.25 -0.20 0.00 0.09 0.00 0.00 57.88 57.56 3giq h LEU 385 Cb 0.43 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3giq h LEU 385 CO 0.01 0.93 -1.01 1.23 0.09 0.00 0.00 178.44 179.69 3giq h GLY 386 N 0.85 0.14 0.12 0.83 0.00 -0.88 -2.64 103.07 101.48 3giq h GLY 386 Ca 0.18 -0.36 -0.22 0.00 0.00 0.00 0.00 47.33 46.93 3giq h GLY 386 CO 0.01 0.32 -1.17 3.21 0.00 0.00 0.00 176.54 178.90 3giq h ARG 387 N -0.66 0.05 -0.25 4.80 2.47 -0.72 -1.86 114.38 118.20 3giq h ARG 387 Ca -0.24 -0.09 -0.17 0.00 -1.26 0.00 0.00 59.98 58.22 3giq h ARG 387 Cb 1.45 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.81 3giq h ARG 387 CO -0.02 1.04 -0.52 1.88 0.56 0.00 0.00 179.97 182.91 3giq h TYR 388 N -0.83 1.01 0.00 3.04 -1.99 -1.02 -0.54 116.97 116.64 3giq h TYR 388 Ca -0.30 -0.37 0.00 0.00 2.00 0.00 0.00 58.73 60.06 3giq h TYR 388 Cb 1.38 -0.19 0.00 0.00 2.00 0.00 0.00 36.73 39.92 3giq h TYR 388 CO 0.12 1.18 -0.08 0.28 -0.00 0.00 0.00 178.16 179.66 3giq h VAL 389 N 0.55 0.00 0.09 -2.88 2.07 -1.09 -0.38 116.25 114.61 3giq h VAL 389 Ca 0.01 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.35 3giq h VAL 389 Cb 1.13 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3giq h VAL 389 CO 0.11 0.00 -0.10 -0.09 0.02 0.00 0.00 177.57 177.51 3giq h ARG 390 N -0.18 -0.22 0.02 1.57 2.43 -1.46 0.95 114.38 117.49 3giq h ARG 390 Ca 0.00 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3giq h ARG 390 Cb 0.08 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3giq h ARG 390 CO 0.00 -0.14 -0.01 0.93 -1.51 0.00 0.00 179.97 179.24 3giq h GLU 391 N -0.22 -0.03 0.00 0.20 5.08 -1.34 -3.38 114.58 114.89 3giq h GLU 391 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3giq h GLU 391 Cb 0.22 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3giq h GLU 391 CO -0.04 0.65 -1.04 0.00 -1.00 0.00 0.00 179.01 177.59 3giq n ALA 392 N -2.49 3.19 -3.85 3.43 0.00 -0.21 -4.99 120.51 115.59 3giq n ALA 392 Ca -0.09 -0.37 -0.29 0.00 0.00 0.00 0.00 53.44 52.69 3giq n ALA 392 Cb 0.34 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.83 3giq n ALA 392 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3giq n ARG 393 N -2.09 -5.93 0.27 0.00 5.12 0.33 -4.85 116.66 109.51 3giq n ARG 393 Ca 0.01 0.64 0.12 0.00 -1.93 0.00 0.00 57.85 56.69 3giq n ARG 393 Cb 0.46 -5.54 0.74 0.00 -1.16 0.00 0.00 32.46 26.95 3giq n ARG 393 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 3giq h LEU 394 N -2.18 0.00 -7.56 0.55 3.38 -1.29 -3.45 115.31 104.76 3giq h LEU 394 Ca -0.58 0.00 0.17 0.00 0.09 0.00 0.00 57.88 57.56 3giq h LEU 394 Cb 1.37 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.03 3giq h LEU 394 CO 0.65 0.09 0.48 0.00 0.09 0.00 0.00 178.44 179.75 3giq s MET 395 N -4.45 1.14 0.83 1.13 0.23 -1.26 -4.97 119.30 111.95 3giq s MET 395 Ca -0.04 -0.61 -0.11 0.00 -1.03 0.00 0.00 55.69 53.90 3giq s MET 395 Cb 0.14 0.40 0.09 0.00 -1.53 0.00 0.00 34.83 33.94 3giq s MET 395 CO 0.60 -0.52 1.09 0.95 -2.03 0.00 0.00 175.02 175.11 3giq s THR 396 N -3.26 2.99 0.20 3.16 -4.23 -1.26 -4.75 115.64 108.49 3giq s THR 396 Ca 0.11 0.32 -0.08 0.00 -1.18 0.00 0.00 61.69 60.87 3giq s THR 396 Cb -0.01 -2.92 0.11 0.00 1.34 0.00 0.00 72.50 71.01 3giq s THR 396 CO 0.01 -0.42 1.70 0.25 -0.54 0.00 0.00 174.62 175.62 3giq h LEU 397 N -1.27 1.05 -0.98 4.79 5.85 -1.99 -1.01 115.31 121.77 3giq h LEU 397 Ca -0.47 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.01 3giq h LEU 397 Cb 1.27 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 3giq h LEU 397 CO 0.56 1.03 0.64 -0.33 -0.34 0.00 0.00 178.44 180.00 3giq h GLU 398 N 1.03 1.29 -0.30 1.25 3.07 -1.92 -0.47 114.58 118.54 3giq h GLU 398 Ca 0.21 -0.08 -0.14 0.00 -0.50 0.00 0.00 59.36 58.85 3giq h GLU 398 Cb 0.43 -0.29 -0.00 0.00 -0.84 0.00 0.00 28.75 28.04 3giq h GLU 398 CO 0.01 0.86 -0.35 1.96 -1.40 0.00 0.00 179.01 180.10 3giq h GLN 399 N 1.33 0.76 -0.54 2.33 4.20 -1.78 -2.39 115.11 119.01 3giq h GLN 399 Ca 0.36 -0.42 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 3giq h GLN 399 Cb -0.14 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 3giq h GLN 399 CO -0.08 1.04 0.11 0.00 -0.67 0.00 0.00 178.83 179.23 3giq h ALA 400 N 0.70 0.72 -0.70 3.87 0.00 -0.89 -2.21 119.26 120.75 3giq h ALA 400 Ca 0.04 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3giq h ALA 400 Cb 0.93 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3giq h ALA 400 CO 0.08 0.44 0.29 0.28 0.00 0.00 0.00 179.25 180.34 3giq h VAL 401 N 0.78 1.24 -0.90 0.00 2.07 -1.09 -2.02 116.25 116.32 3giq h VAL 401 Ca 0.17 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 3giq h VAL 401 Cb 0.38 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 3giq h VAL 401 CO 0.01 0.30 0.55 0.00 0.02 0.00 0.00 177.57 178.44 3giq h ALA 402 N 1.30 1.27 0.00 1.67 0.00 -1.05 -1.01 119.26 121.44 3giq h ALA 402 Ca 0.24 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3giq h ALA 402 Cb 0.18 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3giq h ALA 402 CO -0.02 0.63 -0.16 0.00 0.00 0.00 0.00 179.25 179.70 3giq h ARG 403 N 1.24 0.00 -0.01 0.00 2.47 -0.77 -1.79 114.38 115.52 3giq h ARG 403 Ca 0.32 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.04 3giq h ARG 403 Cb -0.07 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.25 3giq h ARG 403 CO -0.06 0.16 -0.67 -1.33 0.56 0.00 0.00 179.97 178.63 3giq n MET 404 N -3.65 0.60 0.00 0.04 2.81 -0.63 -4.11 117.12 112.19 3giq n MET 404 Ca -0.01 -0.48 0.00 0.00 -1.81 0.00 0.00 57.70 55.39 3giq n MET 404 Cb 0.28 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 3giq n MET 404 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3giq n THR 405 N -0.78 0.00 -0.16 2.03 -2.24 -0.48 -0.86 114.28 111.79 3giq n THR 405 Ca 0.07 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.79 3giq n THR 405 Cb 0.39 -0.37 0.03 0.00 -2.10 0.00 0.00 70.33 68.28 3giq n THR 405 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3giq h ALA 406 N 0.00 0.61 0.13 6.98 0.00 -1.20 -1.83 119.26 123.96 3giq h ALA 406 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3giq h ALA 406 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3giq h ALA 406 CO 0.00 0.00 -0.16 1.25 0.00 0.00 0.00 179.25 180.34 3giq h LEU 407 N 0.59 -0.43 -0.81 0.00 5.85 -1.60 -0.19 115.31 118.73 3giq h LEU 407 Ca 0.19 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.98 3giq h LEU 407 Cb -0.01 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 3giq h LEU 407 CO -0.07 -0.24 0.52 -0.65 -0.34 0.00 0.00 178.44 177.66 3giq h PRO 408 N -0.33 1.00 -0.94 5.25 0.11 -1.74 0.76 132.00 136.11 3giq h PRO 408 Ca 0.01 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 66.10 3giq h PRO 408 Cb 0.33 -0.22 -0.06 0.00 0.11 0.00 0.00 31.00 31.16 3giq h PRO 408 CO -0.06 0.66 0.61 0.00 -0.21 0.00 0.00 178.00 179.00 3giq h ALA 409 N 1.33 1.25 0.02 -0.75 0.00 -0.95 0.44 119.26 120.61 3giq h ALA 409 Ca 0.32 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3giq h ALA 409 Cb -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.45 3giq h ALA 409 CO -0.10 0.47 -0.01 -0.09 0.00 0.00 0.00 179.25 179.51 3giq h ARG 410 N 1.17 -0.03 -0.75 0.00 9.65 -0.31 0.24 114.38 124.36 3giq h ARG 410 Ca 0.38 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 59.27 3giq h ARG 410 Cb 0.02 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.57 3giq h ARG 410 CO -0.13 0.40 0.49 0.28 2.80 0.00 0.00 179.97 183.82 3giq h VAL 411 N -0.47 1.18 -0.02 0.20 2.07 -0.58 -2.95 116.25 115.68 3giq h VAL 411 Ca -0.00 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3giq h VAL 411 Cb 0.44 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 3giq h VAL 411 CO 0.00 0.18 -0.14 0.49 0.02 0.00 0.00 177.57 178.12 3giq n PHE 412 N -4.58 0.00 -3.02 1.57 3.72 0.12 -4.97 117.46 110.30 3giq n PHE 412 Ca 0.07 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.36 3giq n PHE 412 Cb 0.03 -0.02 0.04 0.00 -0.94 0.00 0.00 39.48 38.59 3giq n PHE 412 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3giq n GLY 413 N 1.31 0.16 3.43 1.37 0.00 0.07 -4.98 105.19 106.54 3giq n GLY 413 Ca 0.14 -0.20 -0.44 0.00 0.00 0.00 0.00 46.02 45.53 3giq n GLY 413 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3giq s PHE 414 N -3.17 2.82 0.31 1.61 0.08 0.62 -5.02 117.98 115.23 3giq s PHE 414 Ca 0.26 -0.75 -0.29 0.00 0.12 0.00 0.00 56.93 56.27 3giq s PHE 414 Cb -0.11 -4.20 -0.10 0.00 -0.57 0.00 0.00 43.02 38.04 3giq s PHE 414 CO 0.37 -1.52 1.27 0.00 -0.10 0.00 0.00 175.22 175.25 3giq s ALA 415 N 3.49 3.49 -1.64 5.36 0.00 -1.26 -3.29 121.76 127.91 3giq s ALA 415 Ca 0.19 1.19 -0.02 0.00 0.00 0.00 0.00 51.96 53.32 3giq s ALA 415 Cb -0.19 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.48 3giq s ALA 415 CO 0.07 -0.55 0.25 0.39 0.00 0.00 0.00 175.76 175.93 3giq n GLU 416 N 1.03 -2.94 -3.98 0.00 -0.58 -1.26 -4.90 120.64 108.01 3giq n GLU 416 Ca 0.00 0.94 -0.08 0.00 -0.42 0.00 0.00 57.16 57.60 3giq n GLU 416 Cb 0.42 -5.64 -0.09 0.00 -0.57 0.00 0.00 31.44 25.57 3giq n GLU 416 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3giq s ARG 417 N -5.28 0.76 0.00 3.49 0.52 -1.21 -0.04 118.95 117.19 3giq s ARG 417 Ca 0.12 -1.12 0.00 0.00 -0.52 0.00 0.00 55.73 54.22 3giq s ARG 417 Cb -0.05 0.28 0.00 0.00 0.52 0.00 0.00 34.95 35.69 3giq s ARG 417 CO 0.15 -0.20 0.00 0.41 0.02 0.00 0.00 175.30 175.68 3giq n GLY 418 N 0.01 1.11 3.03 -3.53 0.00 -1.26 -4.81 105.19 99.73 3giq n GLY 418 Ca -0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 3giq n GLY 418 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3giq s VAL 419 N -3.50 0.01 -0.60 1.61 -7.23 -1.26 -1.93 120.40 107.50 3giq s VAL 419 Ca 0.00 -0.09 -0.19 0.00 -1.81 0.00 0.00 61.98 59.89 3giq s VAL 419 Cb 0.00 -0.23 0.10 0.00 0.56 0.00 0.00 36.38 36.82 3giq s VAL 419 CO 0.00 -0.05 0.74 -0.76 -0.31 0.00 0.00 175.10 174.71 3giq s LEU 420 N -0.11 5.30 0.02 1.32 1.43 -0.66 -4.84 118.68 121.15 3giq s LEU 420 Ca -0.02 -1.41 -0.23 0.00 -1.03 0.00 0.00 54.13 51.44 3giq s LEU 420 Cb -0.02 -2.31 0.05 0.00 0.03 0.00 0.00 46.19 43.94 3giq s LEU 420 CO 0.00 -1.14 0.53 0.00 0.23 0.00 0.00 176.35 175.97 3giq s GLN 421 N 2.80 1.01 0.25 1.70 -2.07 -1.26 -4.80 119.66 117.29 3giq s GLN 421 Ca 0.13 -0.14 -0.30 0.00 -1.82 0.00 0.00 55.36 53.23 3giq s GLN 421 Cb -0.23 0.46 -0.14 0.00 -1.09 0.00 0.00 33.01 32.01 3giq s GLN 421 CO 0.06 -0.35 1.21 -2.30 -1.32 0.00 0.00 175.29 172.59 3giq n PRO 422 N 0.57 1.61 0.00 9.60 -0.02 -1.26 -1.86 135.00 143.64 3giq n PRO 422 Ca -0.19 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3giq n PRO 422 Cb 0.59 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 3giq n PRO 422 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3giq n GLY 423 N 1.64 3.21 3.83 -1.23 0.00 0.06 -4.98 105.19 107.72 3giq n GLY 423 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3giq n GLY 423 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3giq s ALA 424 N -2.17 2.88 0.45 4.61 0.00 -0.78 -4.74 121.76 122.01 3giq s ALA 424 Ca 0.00 0.20 -0.25 0.00 0.00 0.00 0.00 51.96 51.91 3giq s ALA 424 Cb 0.00 -3.17 -0.08 0.00 0.00 0.00 0.00 23.12 19.88 3giq s ALA 424 CO 0.00 -0.71 1.35 -1.58 0.00 0.00 0.00 175.76 174.82 3giq s TRP 425 N -2.73 2.59 -1.54 0.00 0.52 0.95 -0.69 118.94 118.03 3giq s TRP 425 Ca 0.60 1.36 -0.09 0.00 0.02 0.00 0.00 56.10 57.99 3giq s TRP 425 Cb -0.13 -3.76 -0.03 0.00 -1.15 0.00 0.00 33.47 28.40 3giq s TRP 425 CO 0.41 -2.51 2.76 0.00 0.02 0.00 0.00 176.95 177.63 3giq n ALA 426 N -0.27 7.22 -2.53 0.98 0.00 0.20 -4.63 120.51 121.48 3giq n ALA 426 Ca 0.06 -3.70 -0.43 0.00 0.00 0.00 0.00 53.44 49.37 3giq n ALA 426 Cb 0.44 -3.24 -0.07 0.00 0.00 0.00 0.00 19.45 16.58 3giq n ALA 426 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3giq s ASP 427 N 1.80 6.34 0.03 0.00 1.01 -1.26 -1.08 116.67 123.50 3giq s ASP 427 Ca 0.64 -0.26 0.02 0.00 0.71 0.00 0.00 52.55 53.66 3giq s ASP 427 Cb 0.18 -2.32 -0.02 0.00 1.01 0.00 0.00 42.92 41.77 3giq s ASP 427 CO -0.07 -0.74 -0.06 -0.69 0.21 0.00 0.00 175.17 173.82 3giq s VAL 428 N 2.78 0.44 -0.03 -1.27 1.01 0.12 -1.05 120.40 122.40 3giq s VAL 428 Ca 0.23 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.46 3giq s VAL 428 Cb -0.14 -0.48 0.00 0.00 0.00 0.00 0.00 36.38 35.76 3giq s VAL 428 CO 0.18 -0.23 -0.11 0.54 0.00 0.00 0.00 175.10 175.48 3giq s VAL 429 N -0.97 0.93 -0.16 2.92 0.11 -0.45 0.29 120.40 123.08 3giq s VAL 429 Ca -0.07 -0.43 -0.00 0.00 -2.93 0.00 0.00 61.98 58.55 3giq s VAL 429 Cb -0.07 -0.83 -0.00 0.00 -1.53 0.00 0.00 36.38 33.95 3giq s VAL 429 CO 0.00 0.29 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.23 3giq s VAL 430 N 0.25 2.78 0.03 2.04 1.01 0.06 -1.25 120.40 125.33 3giq s VAL 430 Ca -0.05 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.15 3giq s VAL 430 Cb -0.10 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 3giq s VAL 430 CO 0.01 0.51 0.10 0.72 0.00 0.00 0.00 175.10 176.44 3giq s PHE 431 N 0.84 0.18 -0.42 5.22 -0.12 -0.42 -0.39 117.98 122.87 3giq s PHE 431 Ca -0.04 -0.46 -0.23 0.00 -0.05 0.00 0.00 56.93 56.14 3giq s PHE 431 Cb -0.15 -0.13 0.02 0.00 -0.63 0.00 0.00 43.02 42.13 3giq s PHE 431 CO -0.00 -0.36 0.78 0.34 -0.05 0.00 0.00 175.22 175.93 3giq s ASP 432 N -2.05 6.46 0.56 1.98 -1.08 -0.12 -0.09 116.67 122.32 3giq s ASP 432 Ca -0.06 0.05 0.24 0.00 -0.52 0.00 0.00 52.55 52.26 3giq s ASP 432 Cb -0.02 -2.39 1.54 0.00 -1.46 0.00 0.00 42.92 40.59 3giq s ASP 432 CO -0.04 -0.85 2.15 1.55 0.52 0.00 0.00 175.17 178.50 3giq h PRO 433 N 8.81 0.00 0.00 4.34 0.13 -1.88 0.37 132.00 143.77 3giq h PRO 433 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3giq h PRO 433 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3giq h PRO 433 CO 0.94 0.00 -0.58 -0.44 -0.23 0.00 0.00 178.00 177.69 3giq h ASP 434 N 0.00 0.00 0.00 1.44 3.32 -1.92 -3.38 116.42 115.88 3giq h ASP 434 Ca 0.05 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3giq h ASP 434 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3giq h ASP 434 CO -0.00 0.01 -1.09 0.35 -1.72 0.00 0.00 179.24 176.79 3giq n THR 435 N -2.78 0.00 -1.65 0.35 -2.24 -0.97 -5.02 114.28 101.97 3giq n THR 435 Ca 0.02 -0.16 -0.49 0.00 -2.27 0.00 0.00 64.05 61.14 3giq n THR 435 Cb 0.53 0.48 -0.05 0.00 -2.10 0.00 0.00 70.33 69.19 3giq n THR 435 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3giq n VAL 436 N -1.60 0.13 -3.54 2.28 3.14 0.08 -4.36 118.33 114.47 3giq n VAL 436 Ca -0.01 -0.02 -0.10 0.00 -2.96 0.00 0.00 64.34 61.25 3giq n VAL 436 Cb 0.13 -1.37 -0.04 0.00 -1.06 0.00 0.00 33.84 31.50 3giq n VAL 436 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3giq s ALA 437 N 1.58 -1.87 0.33 1.55 0.00 -0.65 -3.65 121.76 119.05 3giq s ALA 437 Ca 0.85 1.30 -0.20 0.00 0.00 0.00 0.00 51.96 53.90 3giq s ALA 437 Cb -0.79 -0.12 -0.09 0.00 0.00 0.00 0.00 23.12 22.11 3giq s ALA 437 CO 0.45 -0.50 0.83 0.16 0.00 0.00 0.00 175.76 176.71 3giq s ASP 438 N -1.78 7.01 -0.00 0.00 -4.77 -1.24 -1.65 116.67 114.23 3giq s ASP 438 Ca 0.01 1.54 0.03 0.00 -3.30 0.00 0.00 52.55 50.82 3giq s ASP 438 Cb -0.01 -2.47 -0.04 0.00 -1.09 0.00 0.00 42.92 39.31 3giq s ASP 438 CO -0.03 -0.16 0.08 0.54 0.70 0.00 0.00 175.17 176.31 3giq n ARG 439 N 0.03 2.31 -2.01 2.11 5.12 -1.26 -4.90 116.66 118.06 3giq n ARG 439 Ca 0.03 -0.02 -0.42 0.00 -1.93 0.00 0.00 57.85 55.51 3giq n ARG 439 Cb 0.52 -0.90 -0.03 0.00 -1.16 0.00 0.00 32.46 30.89 3giq n ARG 439 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3giq s ALA 440 N -1.85 3.71 0.46 7.54 0.00 -1.19 -4.73 121.76 125.70 3giq s ALA 440 Ca -0.00 1.27 0.03 0.00 0.00 0.00 0.00 51.96 53.26 3giq s ALA 440 Cb 0.02 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 3giq s ALA 440 CO 0.11 -0.77 0.02 0.95 0.00 0.00 0.00 175.76 176.08 3giq s THR 441 N 1.31 1.38 0.24 0.00 -4.23 -0.23 -4.88 115.64 109.23 3giq s THR 441 Ca 0.69 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.14 3giq s THR 441 Cb -0.41 -2.48 0.22 0.00 1.34 0.00 0.00 72.50 71.17 3giq s THR 441 CO 0.31 0.00 1.87 -0.50 -0.54 0.00 0.00 174.62 175.76 3giq h TRP 442 N 1.57 1.22 0.03 3.99 4.06 -1.95 0.35 115.95 125.22 3giq h TRP 442 Ca -0.43 -0.02 -0.22 0.00 2.06 0.00 0.00 58.89 60.28 3giq h TRP 442 Cb 1.28 -0.39 -0.01 0.00 -1.00 0.00 0.00 29.16 29.04 3giq h TRP 442 CO 1.22 0.83 -1.01 -0.44 -3.56 0.00 0.00 178.44 175.47 3giq h ASP 443 N 1.25 0.18 -2.30 -3.49 3.32 -1.96 -3.38 116.42 110.05 3giq h ASP 443 Ca 0.32 -0.18 -0.59 0.00 0.02 0.00 0.00 57.03 56.60 3giq h ASP 443 Cb -0.00 -0.06 -0.40 0.00 0.22 0.00 0.00 39.33 39.09 3giq h ASP 443 CO -0.05 1.08 -0.82 -0.62 -1.72 0.00 0.00 179.24 177.11 3giq n GLU 444 N -3.51 1.47 0.00 3.56 1.02 -1.06 -4.97 120.64 117.16 3giq n GLU 444 Ca -0.03 -3.94 0.07 0.00 -0.02 0.00 0.00 57.16 53.23 3giq n GLU 444 Cb 0.91 -1.83 0.35 0.00 -0.02 0.00 0.00 31.44 30.85 3giq n GLU 444 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3giq n PRO 445 N 1.51 0.25 -0.15 3.49 -0.04 0.09 -1.07 135.00 139.08 3giq n PRO 445 Ca 0.25 0.12 0.05 0.00 -0.04 0.00 0.00 63.50 63.89 3giq n PRO 445 Cb 0.45 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.54 3giq n PRO 445 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3giq n THR 446 N -1.21 0.91 -2.04 0.52 -2.24 -1.26 -4.38 114.28 104.59 3giq n THR 446 Ca 0.07 -0.96 -0.42 0.00 -2.27 0.00 0.00 64.05 60.48 3giq n THR 446 Cb 0.09 0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 68.86 3giq n THR 446 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3giq s LEU 447 N -0.99 4.38 0.53 3.22 1.43 -1.21 -4.97 118.68 121.08 3giq s LEU 447 Ca 0.21 2.59 -0.18 0.00 -1.03 0.00 0.00 54.13 55.72 3giq s LEU 447 Cb 0.11 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.65 3giq s LEU 447 CO 0.15 -0.70 1.05 0.00 0.23 0.00 0.00 176.35 177.07 3giq s ALA 448 N 0.32 2.82 0.94 4.21 0.00 -1.26 -3.15 121.76 125.65 3giq s ALA 448 Ca 0.61 0.50 -0.12 0.00 0.00 0.00 0.00 51.96 52.95 3giq s ALA 448 Cb -0.41 -3.24 0.15 0.00 0.00 0.00 0.00 23.12 19.63 3giq s ALA 448 CO 0.39 -0.53 1.10 -1.12 0.00 0.00 0.00 175.76 175.60 3giq s SER 449 N -2.37 3.12 0.21 0.00 0.01 -1.26 -4.23 113.70 109.18 3giq s SER 449 Ca 0.65 1.30 0.09 0.00 1.31 0.00 0.00 55.95 59.30 3giq s SER 449 Cb -0.16 -1.97 -0.05 0.00 0.21 0.00 0.00 66.02 64.05 3giq s SER 449 CO 0.28 -2.83 -0.17 0.68 0.41 0.00 0.00 173.24 171.60 3giq s VAL 450 N -2.98 1.95 0.00 3.43 -7.23 -0.66 -4.78 120.40 110.13 3giq s VAL 450 Ca 0.64 -2.18 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 3giq s VAL 450 Cb -0.18 -2.06 0.00 0.00 0.56 0.00 0.00 36.38 34.71 3giq s VAL 450 CO 0.57 -0.47 0.00 0.61 -0.31 0.00 0.00 175.10 175.50 3giq n GLY 451 N -0.25 0.94 3.53 2.32 0.00 -1.26 -1.64 105.19 108.83 3giq n GLY 451 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3giq n GLY 451 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3giq s ILE 452 N -2.42 4.94 -0.02 -0.61 -1.09 -1.26 -0.95 121.20 119.79 3giq s ILE 452 Ca 0.00 0.15 -0.06 0.00 -2.23 0.00 0.00 60.65 58.51 3giq s ILE 452 Cb 0.00 -4.08 -0.29 0.00 -1.58 0.00 0.00 42.46 36.51 3giq s ILE 452 CO 0.00 -0.41 0.78 0.00 -1.23 0.00 0.00 174.94 174.07 3giq h ALA 453 N 8.67 0.23 -2.09 9.38 0.00 -1.09 -3.48 119.26 130.88 3giq h ALA 453 Ca -0.26 -1.13 0.09 0.00 0.00 0.00 0.00 54.91 53.60 3giq h ALA 453 Cb 1.11 0.36 -0.17 0.00 0.00 0.00 0.00 17.79 19.08 3giq h ALA 453 CO 0.83 1.09 0.48 0.20 0.00 0.00 0.00 179.25 181.85 3giq s GLY 454 N -5.02 -0.43 -0.04 0.00 0.00 -1.09 -4.36 107.32 96.38 3giq s GLY 454 Ca -0.12 1.29 -0.02 0.00 0.00 0.00 0.00 44.72 45.88 3giq s GLY 454 CO 0.85 0.56 0.10 0.14 0.00 0.00 0.00 173.10 174.75 3giq s VAL 455 N -2.45 -0.05 -0.05 1.40 1.01 -0.43 -0.76 120.40 119.07 3giq s VAL 455 Ca 0.02 0.17 0.05 0.00 0.00 0.00 0.00 61.98 62.21 3giq s VAL 455 Cb -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.18 3giq s VAL 455 CO -0.05 0.07 -0.18 -0.76 0.00 0.00 0.00 175.10 174.18 3giq s LEU 456 N 0.98 2.50 -0.23 3.92 1.43 0.15 -1.59 118.68 125.84 3giq s LEU 456 Ca -0.08 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 3giq s LEU 456 Cb -0.10 -1.49 0.05 0.00 0.03 0.00 0.00 46.19 44.67 3giq s LEU 456 CO -0.04 0.31 -0.12 -0.69 0.23 0.00 0.00 176.35 176.04 3giq s VAL 457 N -0.53 1.94 -1.47 -1.59 1.01 0.77 -0.70 120.40 119.83 3giq s VAL 457 Ca 0.07 -1.31 -0.11 0.00 0.00 0.00 0.00 61.98 60.63 3giq s VAL 457 Cb -0.11 -2.01 0.06 0.00 0.00 0.00 0.00 36.38 34.32 3giq s VAL 457 CO 0.01 0.12 1.01 0.59 0.00 0.00 0.00 175.10 176.82 3giq n ASN 458 N 4.56 -4.79 0.00 3.32 5.03 -1.09 -1.50 115.26 120.79 3giq n ASN 458 Ca -0.15 -0.73 0.00 0.00 0.87 0.00 0.00 54.58 54.57 3giq n ASN 458 Cb 0.45 -4.16 0.00 0.00 -1.02 0.00 0.00 39.78 35.05 3giq n ASN 458 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3giq n GLY 459 N -1.74 2.34 3.69 7.41 0.00 -0.24 -4.18 105.19 112.47 3giq n GLY 459 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3giq n GLY 459 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3giq s ALA 460 N -2.99 3.38 0.18 4.61 0.00 -0.56 -4.90 121.76 121.47 3giq s ALA 460 Ca 0.00 -0.77 -0.30 0.00 0.00 0.00 0.00 51.96 50.88 3giq s ALA 460 Cb 0.00 -1.63 -0.09 0.00 0.00 0.00 0.00 23.12 21.40 3giq s ALA 460 CO 0.00 0.50 1.36 -2.00 0.00 0.00 0.00 175.76 175.62 3giq s GLU 461 N -0.62 4.35 0.00 0.00 2.12 -1.26 -0.16 118.70 123.13 3giq s GLU 461 Ca 0.11 2.10 0.00 0.00 0.36 0.00 0.00 54.97 57.54 3giq s GLU 461 Cb -0.12 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.07 3giq s GLU 461 CO 0.02 -0.34 0.00 1.33 -0.54 0.00 0.00 175.26 175.73 3giq n VAL 462 N 3.04 0.00 -3.73 3.70 0.24 -0.62 -3.86 118.33 117.09 3giq n VAL 462 Ca 0.08 -0.25 -0.13 0.00 -2.04 0.00 0.00 64.34 62.00 3giq n VAL 462 Cb 0.42 0.78 -0.10 0.00 -1.47 0.00 0.00 33.84 33.47 3giq n VAL 462 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3giq s PHE 463 N -1.06 -0.45 0.09 6.34 5.36 -1.20 -3.33 117.98 123.72 3giq s PHE 463 Ca 0.00 1.08 0.23 0.00 -0.96 0.00 0.00 56.93 57.28 3giq s PHE 463 Cb 0.00 0.16 0.80 0.00 -0.34 0.00 0.00 43.02 43.64 3giq s PHE 463 CO 0.00 -0.22 1.77 -1.00 -1.46 0.00 0.00 175.22 174.31 3giq h PRO 464 N 5.67 0.00 -4.51 10.12 0.13 -1.88 -1.13 132.00 140.40 3giq h PRO 464 Ca -0.28 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.13 3giq h PRO 464 Cb 1.18 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.10 3giq h PRO 464 CO 0.26 0.26 -0.44 -0.65 -0.23 0.00 0.00 178.00 177.19 3giq s GLN 465 N -3.56 2.94 0.68 0.86 -1.52 -1.26 -5.08 119.66 112.71 3giq s GLN 465 Ca 0.01 -1.04 -0.14 0.00 -1.95 0.00 0.00 55.36 52.24 3giq s GLN 465 Cb 0.10 -3.94 0.01 0.00 -0.22 0.00 0.00 33.01 28.96 3giq s GLN 465 CO 0.65 -0.75 1.11 -1.25 -0.25 0.00 0.00 175.29 174.80 3giq s PRO 466 N 1.65 2.70 0.61 2.91 0.04 -1.21 -4.06 135.00 137.64 3giq s PRO 466 Ca 0.04 1.37 -0.19 0.00 0.04 0.00 0.00 61.00 62.26 3giq s PRO 466 Cb -0.19 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 3giq s PRO 466 CO 0.09 -1.33 1.19 -0.35 0.04 0.00 0.00 177.00 176.65 3giq n PRO 467 N -2.59 1.14 0.11 0.56 -0.04 -1.25 -4.94 135.00 127.98 3giq n PRO 467 Ca 0.10 0.44 -0.12 0.00 -0.04 0.00 0.00 63.50 63.88 3giq n PRO 467 Cb 0.52 -2.41 -0.06 0.00 -0.04 0.00 0.00 33.50 31.51 3giq n PRO 467 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3giq h ALA 468 N 0.67 -0.30 -3.00 0.55 0.00 -1.95 -3.46 119.26 111.78 3giq h ALA 468 Ca -0.50 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3giq h ALA 468 Cb 1.34 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.39 3giq h ALA 468 CO 0.53 -0.70 0.00 -0.25 0.00 0.00 0.00 179.25 178.83 3giq n ASP 469 N -5.29 0.00 -4.59 0.00 8.00 -1.26 -5.08 116.55 108.33 3giq n ASP 469 Ca -0.07 0.00 -0.53 0.00 0.71 0.00 0.00 54.79 54.90 3giq n ASP 469 Cb 0.21 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.25 3giq n ASP 469 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3giq n GLY 470 N 2.43 0.43 3.86 0.44 0.00 -1.26 -4.95 105.19 106.14 3giq n GLY 470 Ca 0.00 0.72 -0.32 0.00 0.00 0.00 0.00 46.02 46.41 3giq n GLY 470 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3giq s ARG 471 N 0.58 3.89 0.00 1.61 0.52 -1.26 -4.88 118.95 119.41 3giq s ARG 471 Ca 0.85 0.44 0.29 0.00 -0.52 0.00 0.00 55.73 56.79 3giq s ARG 471 Cb -0.98 -2.58 1.30 0.00 0.52 0.00 0.00 34.95 33.21 3giq s ARG 471 CO 0.48 0.27 1.92 -0.35 0.02 0.00 0.00 175.30 177.64 3giq n PRO 472 N -0.17 0.43 -1.99 3.54 -0.04 -1.26 -4.72 135.00 130.79 3giq n PRO 472 Ca 0.01 -0.08 -0.37 0.00 -0.04 0.00 0.00 63.50 63.02 3giq n PRO 472 Cb 0.53 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.51 3giq n PRO 472 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3giq s GLY 473 N -2.63 2.83 0.09 0.55 0.00 0.61 -4.72 107.32 104.05 3giq s GLY 473 Ca 0.25 1.14 0.09 0.00 0.00 0.00 0.00 44.72 46.20 3giq s GLY 473 CO 0.49 1.62 -0.19 1.20 0.00 0.00 0.00 173.10 176.22 3giq s GLN 474 N -2.90 1.82 -0.32 2.90 -0.21 -1.26 -4.22 119.66 115.47 3giq s GLN 474 Ca 0.70 -1.14 -0.27 0.00 0.02 0.00 0.00 55.36 54.67 3giq s GLN 474 Cb -0.35 -2.11 0.01 0.00 1.00 0.00 0.00 33.01 31.57 3giq s GLN 474 CO 0.41 0.49 0.98 0.08 -2.12 0.00 0.00 175.29 175.13 3giq s VAL 475 N -1.06 4.60 -1.26 1.09 1.01 -1.26 -1.05 120.40 122.46 3giq s VAL 475 Ca 0.16 1.53 -0.15 0.00 0.00 0.00 0.00 61.98 63.52 3giq s VAL 475 Cb -0.10 -4.33 0.12 0.00 0.00 0.00 0.00 36.38 32.07 3giq s VAL 475 CO 0.08 -0.41 1.62 0.18 0.00 0.00 0.00 175.10 176.57 3giq n LEU 476 N 6.65 5.23 -4.69 3.92 4.77 0.14 -4.94 117.00 128.09 3giq n LEU 476 Ca 0.09 -4.22 -0.42 0.00 -0.03 0.00 0.00 56.01 51.43 3giq n LEU 476 Cb 0.47 -1.67 -0.03 0.00 -2.33 0.00 0.00 43.42 39.87 3giq n LEU 476 CO 0.56 0.52 1.10 -0.13 -1.33 0.00 0.00 177.39 178.12 3giq s ARG 477 N 2.73 4.29 0.00 3.23 0.52 -1.26 -4.67 118.95 123.79 3giq s ARG 477 Ca 0.48 1.94 0.30 0.00 -0.52 0.00 0.00 55.73 57.93 3giq s ARG 477 Cb 0.01 -3.57 1.78 0.00 0.52 0.00 0.00 34.95 33.70 3giq s ARG 477 CO 0.03 -0.56 2.12 0.00 0.02 0.00 0.00 175.30 176.91