#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1it7 n MET 7 N 0.00 2.33 -3.69 1.97 2.81 -1.26 -4.86 117.12 114.42 1it7 n MET 7 Ca 0.00 -1.95 -0.12 0.00 -1.81 0.00 0.00 57.70 53.82 1it7 n MET 7 Cb 0.00 -1.47 -0.12 0.00 -0.71 0.00 0.00 33.22 30.91 1it7 n MET 7 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 1it7 s LEU 8 N -1.86 -0.10 -0.03 4.03 1.98 -1.26 -4.40 118.68 117.04 1it7 s LEU 8 Ca 0.31 0.67 0.01 0.00 -2.89 0.00 0.00 54.13 52.24 1it7 s LEU 8 Cb 0.21 0.90 -0.03 0.00 0.66 0.00 0.00 46.19 47.92 1it7 s LEU 8 CO 0.31 -0.21 -0.01 -0.54 -1.89 0.00 0.00 176.35 174.01 1it7 s LYS 9 N 1.93 2.80 -0.11 1.98 1.02 -0.62 -4.99 119.74 121.75 1it7 s LYS 9 Ca -0.04 -0.57 -0.04 0.00 0.02 0.00 0.00 55.97 55.33 1it7 s LYS 9 Cb -0.11 -2.67 0.06 0.00 -0.52 0.00 0.00 37.83 34.59 1it7 s LYS 9 CO -0.10 0.64 0.23 0.12 -0.92 0.00 0.00 175.35 175.33 1it7 s PHE 10 N -1.01 -0.34 0.01 3.18 5.36 -1.26 -1.34 117.98 122.59 1it7 s PHE 10 Ca 0.17 0.85 0.05 0.00 -0.96 0.00 0.00 56.93 57.04 1it7 s PHE 10 Cb -0.11 -0.08 -0.02 0.00 -0.34 0.00 0.00 43.02 42.47 1it7 s PHE 10 CO 0.07 -0.31 -0.16 -2.00 -1.46 0.00 0.00 175.22 171.36 1it7 s GLU 11 N 2.20 1.17 -0.44 10.12 2.12 -0.02 -4.74 118.70 129.10 1it7 s GLU 11 Ca -0.00 -0.67 -0.24 0.00 0.36 0.00 0.00 54.97 54.42 1it7 s GLU 11 Cb -0.12 -1.16 0.02 0.00 0.26 0.00 0.00 34.13 33.13 1it7 s GLU 11 CO -0.08 0.31 0.83 0.42 -0.54 0.00 0.00 175.26 176.20 1it7 s ILE 12 N -0.57 4.60 -0.17 -3.70 1.01 -1.26 0.11 121.20 121.21 1it7 s ILE 12 Ca 0.05 0.59 0.19 0.00 0.00 0.00 0.00 60.65 61.47 1it7 s ILE 12 Cb -0.07 -4.35 -0.06 0.00 0.01 0.00 0.00 42.46 37.99 1it7 s ILE 12 CO 0.00 -0.73 0.97 0.11 0.00 0.00 0.00 174.94 175.29 1it7 h LYS 13 N 8.96 0.00 -2.05 2.79 1.57 -1.06 -3.48 116.57 123.30 1it7 h LYS 13 Ca -0.24 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.70 1it7 h LYS 13 Cb 1.08 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.24 1it7 h LYS 13 CO 0.98 0.21 0.59 0.00 -0.57 0.00 0.00 179.45 180.66 1it7 s ALA 14 N -3.07 -1.89 0.23 3.86 0.00 -1.02 -4.98 121.76 114.89 1it7 s ALA 14 Ca -0.01 1.04 -0.17 0.00 0.00 0.00 0.00 51.96 52.81 1it7 s ALA 14 Cb 0.09 0.31 0.02 0.00 0.00 0.00 0.00 23.12 23.54 1it7 s ALA 14 CO 0.79 -0.73 0.56 -0.98 0.00 0.00 0.00 175.76 175.41 1it7 s ARG 15 N -2.93 1.51 -0.25 0.00 1.70 -1.26 -0.00 118.95 117.71 1it7 s ARG 15 Ca 0.07 -0.99 -0.26 0.00 -0.47 0.00 0.00 55.73 54.08 1it7 s ARG 15 Cb -0.01 0.53 0.13 0.00 -0.57 0.00 0.00 34.95 35.03 1it7 s ARG 15 CO -0.06 -0.65 1.08 0.34 -1.08 0.00 0.00 175.30 174.92 1it7 s ASP 16 N -2.92 -0.37 0.83 -2.89 2.15 -0.99 -4.85 116.67 107.62 1it7 s ASP 16 Ca 0.13 0.65 0.00 0.00 0.43 0.00 0.00 52.55 53.76 1it7 s ASP 16 Cb -0.02 0.63 0.00 0.00 -0.30 0.00 0.00 42.92 43.23 1it7 s ASP 16 CO 0.02 -0.18 0.00 0.61 -0.17 0.00 0.00 175.17 175.46 1it7 n GLY 17 N 1.74 2.69 1.27 2.66 0.00 -1.26 -0.03 105.19 112.26 1it7 n GLY 17 Ca -0.11 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.67 1it7 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1it7 n ALA 18 N 8.27 2.39 -2.04 4.61 0.00 -1.00 -3.97 120.51 128.77 1it7 n ALA 18 Ca 0.00 -1.19 -0.24 0.00 0.00 0.00 0.00 53.44 52.01 1it7 n ALA 18 Cb 0.00 -0.94 0.04 0.00 0.00 0.00 0.00 19.45 18.55 1it7 n ALA 18 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1it7 s GLY 19 N -1.06 1.69 -0.12 0.00 0.00 0.96 -2.88 107.32 105.92 1it7 s GLY 19 Ca 0.46 -1.02 -0.29 0.00 0.00 0.00 0.00 44.72 43.86 1it7 s GLY 19 CO 0.32 -0.72 0.70 1.09 0.00 0.00 0.00 173.10 174.48 1it7 s ARG 20 N -4.92 0.98 -0.23 2.90 1.70 -1.26 -2.34 118.95 115.78 1it7 s ARG 20 Ca 0.56 0.48 -0.14 0.00 -0.47 0.00 0.00 55.73 56.16 1it7 s ARG 20 Cb -0.10 0.47 -0.04 0.00 -0.57 0.00 0.00 34.95 34.70 1it7 s ARG 20 CO 0.42 -0.26 0.32 0.42 -1.08 0.00 0.00 175.30 175.12 1it7 s ILE 21 N -0.71 5.24 0.26 4.99 1.01 1.00 -3.85 121.20 129.14 1it7 s ILE 21 Ca -0.07 0.50 0.06 0.00 0.00 0.00 0.00 60.65 61.13 1it7 s ILE 21 Cb -0.02 -3.65 -0.06 0.00 0.01 0.00 0.00 42.46 38.75 1it7 s ILE 21 CO 0.07 0.25 -0.04 -0.83 0.00 0.00 0.00 174.94 174.39 1it7 s GLY 22 N 1.24 1.71 -0.25 6.18 0.00 0.21 -0.39 107.32 116.03 1it7 s GLY 22 Ca 0.14 -1.84 -0.06 0.00 0.00 0.00 0.00 44.72 42.96 1it7 s GLY 22 CO 0.08 -1.78 0.04 1.25 0.00 0.00 0.00 173.10 172.69 1it7 s LYS 23 N -3.77 3.45 -0.19 2.90 2.20 0.12 0.25 119.74 124.69 1it7 s LYS 23 Ca 0.29 -0.60 0.01 0.00 -0.36 0.00 0.00 55.97 55.30 1it7 s LYS 23 Cb 0.04 -3.24 0.02 0.00 -1.51 0.00 0.00 37.83 33.15 1it7 s LYS 23 CO 0.10 -0.25 -0.17 -1.17 -0.36 0.00 0.00 175.35 173.51 1it7 s LEU 24 N 1.55 2.36 -0.08 5.43 0.20 0.13 -0.84 118.68 127.43 1it7 s LEU 24 Ca 0.05 -0.70 0.05 0.00 0.69 0.00 0.00 54.13 54.22 1it7 s LEU 24 Cb -0.15 -1.52 -0.01 0.00 -0.43 0.00 0.00 46.19 44.08 1it7 s LEU 24 CO 0.01 -0.02 -0.23 -0.70 -0.29 0.00 0.00 176.35 175.12 1it7 s GLU 25 N 1.29 2.79 -0.03 1.98 2.12 -0.45 -0.49 118.70 125.91 1it7 s GLU 25 Ca 0.04 -0.86 -0.01 0.00 0.36 0.00 0.00 54.97 54.50 1it7 s GLU 25 Cb -0.14 -2.27 0.03 0.00 0.26 0.00 0.00 34.13 32.01 1it7 s GLU 25 CO -0.11 0.32 0.05 0.08 -0.54 0.00 0.00 175.26 175.06 1it7 s VAL 26 N 0.01 -0.08 -1.48 3.70 1.01 0.27 -1.59 120.40 122.24 1it7 s VAL 26 Ca -0.08 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 1it7 s VAL 26 Cb -0.15 -0.12 0.06 0.00 0.00 0.00 0.00 36.38 36.17 1it7 s VAL 26 CO 0.05 0.12 0.94 0.59 0.00 0.00 0.00 175.10 176.80 1it7 n ASN 27 N 4.56 -4.19 0.00 3.32 4.13 -1.26 -0.22 115.26 121.60 1it7 n ASN 27 Ca -0.20 -0.77 0.00 0.00 1.68 0.00 0.00 54.58 55.29 1it7 n ASN 27 Cb 0.50 -3.99 0.00 0.00 -1.54 0.00 0.00 39.78 34.75 1it7 n ASN 27 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1it7 n GLY 28 N -1.69 0.21 3.49 7.41 0.00 -1.26 -4.97 105.19 108.38 1it7 n GLY 28 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1it7 n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1it7 s LYS 29 N -1.18 3.75 0.09 1.61 1.02 0.69 -5.09 119.74 120.62 1it7 s LYS 29 Ca 0.00 -0.43 -0.00 0.00 0.02 0.00 0.00 55.97 55.56 1it7 s LYS 29 Cb 0.00 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.87 1it7 s LYS 29 CO 0.00 -0.15 0.25 0.15 -0.92 0.00 0.00 175.35 174.67 1it7 s LYS 30 N 1.56 3.46 -0.01 1.68 1.02 -1.26 -0.57 119.74 125.63 1it7 s LYS 30 Ca 0.06 -0.42 -0.16 0.00 0.02 0.00 0.00 55.97 55.48 1it7 s LYS 30 Cb -0.15 -3.00 0.03 0.00 -0.52 0.00 0.00 37.83 34.18 1it7 s LYS 30 CO 0.05 0.57 0.34 -1.50 -0.92 0.00 0.00 175.35 173.90 1it7 s ILE 31 N -1.57 0.06 -0.11 2.17 2.07 0.35 -4.97 121.20 119.20 1it7 s ILE 31 Ca 0.36 -0.47 -0.05 0.00 -1.41 0.00 0.00 60.65 59.08 1it7 s ILE 31 Cb -0.13 -0.70 -0.04 0.00 0.13 0.00 0.00 42.46 41.73 1it7 s ILE 31 CO 0.28 -0.26 0.08 -0.70 -1.91 0.00 0.00 174.94 172.43 1it7 s GLU 32 N -1.53 3.26 0.19 3.50 2.12 -1.26 -0.69 118.70 124.29 1it7 s GLU 32 Ca -0.12 -0.25 0.10 0.00 0.36 0.00 0.00 54.97 55.07 1it7 s GLU 32 Cb -0.04 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.28 1it7 s GLU 32 CO 0.03 0.74 -0.18 0.95 -0.54 0.00 0.00 175.26 176.26 1it7 s THR 33 N -0.95 2.67 0.38 -1.70 -4.23 0.14 -4.09 115.64 107.86 1it7 s THR 33 Ca 0.14 -1.91 -0.26 0.00 -1.18 0.00 0.00 61.69 58.48 1it7 s THR 33 Cb -0.12 -2.30 -0.11 0.00 1.34 0.00 0.00 72.50 71.30 1it7 s THR 33 CO 0.03 -0.13 1.16 -2.65 -0.54 0.00 0.00 174.62 172.50 1it7 n PRO 34 N 0.14 1.73 -3.87 3.99 -0.02 -1.25 0.67 135.00 136.39 1it7 n PRO 34 Ca -0.12 0.61 -0.11 0.00 -2.02 0.00 0.00 63.50 61.87 1it7 n PRO 34 Cb 0.56 -2.19 -0.10 0.00 -0.02 0.00 0.00 33.50 31.76 1it7 n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1it7 s ALA 35 N -1.17 -0.34 -0.08 3.55 0.00 -0.92 -5.02 121.76 117.78 1it7 s ALA 35 Ca 0.60 -0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.48 1it7 s ALA 35 Cb -0.57 0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1it7 s ALA 35 CO 0.59 -0.21 -0.18 -1.50 0.00 0.00 0.00 175.76 174.46 1it7 s ILE 36 N -1.37 1.60 -0.26 0.00 1.10 -1.26 -1.75 121.20 119.27 1it7 s ILE 36 Ca -0.15 -0.77 -0.08 0.00 -0.51 0.00 0.00 60.65 59.15 1it7 s ILE 36 Cb -0.07 -1.40 -0.03 0.00 0.15 0.00 0.00 42.46 41.10 1it7 s ILE 36 CO 0.02 0.46 0.09 0.00 -2.11 0.00 0.00 174.94 173.40 1it7 s MET 37 N 0.39 3.70 0.25 3.50 0.23 0.13 -4.82 119.30 122.68 1it7 s MET 37 Ca -0.14 -0.46 -0.30 0.00 -1.03 0.00 0.00 55.69 53.76 1it7 s MET 37 Cb -0.16 -3.39 -0.10 0.00 -1.53 0.00 0.00 34.83 29.65 1it7 s MET 37 CO 0.06 -0.19 1.40 -2.14 -2.03 0.00 0.00 175.02 172.11 1it7 s PRO 38 N 1.64 4.30 0.01 3.16 0.02 -1.25 -1.79 135.00 141.08 1it7 s PRO 38 Ca 0.06 2.25 -0.30 0.00 0.02 0.00 0.00 61.00 63.03 1it7 s PRO 38 Cb -0.15 -3.12 -0.03 0.00 0.02 0.00 0.00 34.50 31.21 1it7 s PRO 38 CO 0.05 -0.36 1.02 0.08 -0.33 0.00 0.00 177.00 177.46 1it7 s VAL 39 N -0.12 4.72 -0.14 3.83 1.01 0.13 -2.37 120.40 127.46 1it7 s VAL 39 Ca 0.58 1.96 -0.01 0.00 0.00 0.00 0.00 61.98 64.51 1it7 s VAL 39 Cb -0.41 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 31.71 1it7 s VAL 39 CO 0.44 0.15 -0.12 -0.69 0.00 0.00 0.00 175.10 174.87 1it7 s VAL 40 N 1.04 3.06 -0.33 2.92 1.01 0.02 -4.80 120.40 123.31 1it7 s VAL 40 Ca 0.53 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 61.68 1it7 s VAL 40 Cb -0.22 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 1it7 s VAL 40 CO 0.28 0.51 0.51 0.21 0.00 0.00 0.00 175.10 176.61 1it7 s ASN 41 N 0.51 6.34 0.52 3.32 3.04 -1.25 -4.35 114.94 123.06 1it7 s ASN 41 Ca -0.08 0.09 0.22 0.00 0.04 0.00 0.00 52.86 53.13 1it7 s ASN 41 Cb -0.16 -2.27 1.33 0.00 -1.54 0.00 0.00 41.25 38.61 1it7 s ASN 41 CO 0.04 -0.43 2.02 -0.65 -3.04 0.00 0.00 177.10 175.04 1it7 h PRO 42 N 8.37 0.05 0.00 0.43 0.11 -1.98 -3.07 132.00 135.92 1it7 h PRO 42 Ca -0.28 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 1it7 h PRO 42 Cb 1.13 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1it7 h PRO 42 CO 0.76 0.03 -0.26 0.87 -0.21 0.00 0.00 178.00 179.19 1it7 h LYS 43 N 0.05 0.00 -5.38 1.05 1.57 -1.99 -3.46 116.57 108.41 1it7 h LYS 43 Ca 0.21 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.32 1it7 h LYS 43 Cb 0.78 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 32.79 1it7 h LYS 43 CO -0.01 0.36 -0.83 -0.65 -0.57 0.00 0.00 179.45 177.75 1it7 s GLN 44 N -1.95 3.17 -0.23 3.15 -0.21 -1.16 -5.10 119.66 117.33 1it7 s GLN 44 Ca -0.11 -0.79 -0.00 0.00 0.02 0.00 0.00 55.36 54.48 1it7 s GLN 44 Cb 0.00 -2.45 0.06 0.00 1.00 0.00 0.00 33.01 31.63 1it7 s GLN 44 CO 0.28 0.21 -0.02 -1.64 -2.12 0.00 0.00 175.29 172.00 1it7 s MET 45 N 0.30 1.34 0.09 2.91 -1.94 -1.26 -3.90 119.30 116.84 1it7 s MET 45 Ca -0.14 -0.88 -0.17 0.00 -1.71 0.00 0.00 55.69 52.79 1it7 s MET 45 Cb -0.17 -2.46 -0.08 0.00 2.01 0.00 0.00 34.83 34.14 1it7 s MET 45 CO 0.07 -0.64 1.49 0.28 -0.01 0.00 0.00 175.02 176.21 1it7 h VAL 46 N 6.62 1.28 -4.30 -6.03 2.07 -1.98 -3.42 116.25 110.49 1it7 h VAL 46 Ca -0.17 -1.08 -0.61 0.00 0.82 0.00 0.00 66.70 65.66 1it7 h VAL 46 Cb 1.08 1.42 -0.27 0.00 -1.52 0.00 0.00 31.29 31.99 1it7 h VAL 46 CO 0.40 0.34 -0.85 0.68 0.02 0.00 0.00 177.57 178.16 1it7 s VAL 47 N -4.78 1.73 0.03 2.57 -7.23 -1.26 -4.90 120.40 106.56 1it7 s VAL 47 Ca -0.13 -1.10 -0.05 0.00 -1.81 0.00 0.00 61.98 58.89 1it7 s VAL 47 Cb 0.08 -1.47 -0.05 0.00 0.56 0.00 0.00 36.38 35.50 1it7 s VAL 47 CO 0.77 0.34 0.27 -1.61 -0.31 0.00 0.00 175.10 174.55 1it7 s GLU 48 N -0.90 3.55 0.27 4.82 2.02 -1.26 -4.93 118.70 122.26 1it7 s GLU 48 Ca 0.08 -0.15 -0.01 0.00 0.02 0.00 0.00 54.97 54.91 1it7 s GLU 48 Cb -0.09 -3.04 0.58 0.00 0.10 0.00 0.00 34.13 31.69 1it7 s GLU 48 CO 0.01 0.62 1.38 -2.30 0.02 0.00 0.00 175.26 174.98 1it7 n PRO 49 N 0.82 -0.07 0.01 0.39 -0.02 -1.26 0.89 135.00 135.75 1it7 n PRO 49 Ca -0.09 1.34 -0.00 0.00 -2.02 0.00 0.00 63.50 62.73 1it7 n PRO 49 Cb 0.52 -2.09 0.29 0.00 -0.02 0.00 0.00 33.50 32.21 1it7 n PRO 49 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1it7 h LYS 50 N 0.00 0.50 -0.13 -0.52 2.10 -1.77 0.36 116.57 117.12 1it7 h LYS 50 Ca 0.50 -0.12 -0.04 0.00 -2.00 0.00 0.00 60.65 58.99 1it7 h LYS 50 Cb 0.95 -0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 32.21 1it7 h LYS 50 CO -0.86 0.56 -0.07 0.93 -2.00 0.00 0.00 179.45 178.01 1it7 h GLU 51 N 0.48 0.28 -0.55 0.07 5.08 0.15 -1.35 114.58 118.73 1it7 h GLU 51 Ca 0.10 -0.13 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1it7 h GLU 51 Cb 0.37 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1it7 h GLU 51 CO 0.02 0.62 0.37 -0.07 -1.00 0.00 0.00 179.01 178.95 1it7 h LEU 52 N -0.07 0.40 -0.43 1.33 3.38 -0.30 0.37 115.31 119.98 1it7 h LEU 52 Ca 0.03 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 1it7 h LEU 52 Cb 0.54 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1it7 h LEU 52 CO 0.02 0.25 -0.59 -0.08 0.09 0.00 0.00 178.44 178.13 1it7 h GLU 53 N 0.45 0.61 -0.17 1.13 4.81 -0.01 -0.32 114.58 121.07 1it7 h GLU 53 Ca 0.24 -0.41 -0.10 0.00 -0.13 0.00 0.00 59.36 58.97 1it7 h GLU 53 Cb 0.38 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1it7 h GLU 53 CO -0.07 1.02 -0.31 0.87 -0.73 0.00 0.00 179.01 179.79 1it7 h LYS 54 N 0.46 0.34 0.00 1.92 1.57 0.07 -1.84 116.57 119.08 1it7 h LYS 54 Ca -0.00 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1it7 h LYS 54 Cb 1.16 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1it7 h LYS 54 CO 0.11 0.63 0.00 -1.33 -0.57 0.00 0.00 179.45 178.29 1it7 n MET 55 N -4.09 0.07 0.00 3.15 2.81 -0.05 -4.89 117.12 114.12 1it7 n MET 55 Ca -0.01 0.13 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 1it7 n MET 55 Cb 0.43 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 1it7 n MET 55 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1it7 n GLY 56 N 0.58 0.98 3.52 3.03 0.00 -0.69 -5.05 105.19 107.56 1it7 n GLY 56 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1it7 n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1it7 s PHE 57 N -2.00 2.71 -1.60 1.61 0.40 -0.16 -4.86 117.98 114.08 1it7 s PHE 57 Ca 0.00 -0.02 0.12 0.00 -0.60 0.00 0.00 56.93 56.43 1it7 s PHE 57 Cb 0.00 -4.21 0.41 0.00 0.51 0.00 0.00 43.02 39.73 1it7 s PHE 57 CO 0.00 -1.48 1.30 0.39 0.70 0.00 0.00 175.22 176.13 1it7 n GLU 58 N 7.79 2.38 -3.70 0.44 -0.58 -1.26 -4.20 120.64 121.50 1it7 n GLU 58 Ca 0.02 -1.66 -0.12 0.00 -0.42 0.00 0.00 57.16 54.98 1it7 n GLU 58 Cb 0.48 -1.51 -0.09 0.00 -0.57 0.00 0.00 31.44 29.74 1it7 n GLU 58 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 1it7 s ILE 59 N -1.59 -0.01 0.33 -3.67 2.07 -1.26 -1.69 121.20 115.38 1it7 s ILE 59 Ca 0.30 0.02 0.06 0.00 -1.41 0.00 0.00 60.65 59.61 1it7 s ILE 59 Cb 0.18 -0.70 -0.03 0.00 0.13 0.00 0.00 42.46 42.03 1it7 s ILE 59 CO 0.17 0.01 0.23 0.27 -1.91 0.00 0.00 174.94 173.71 1it7 s ILE 60 N 0.60 0.12 -0.09 2.00 -4.36 -0.80 -3.82 121.20 114.85 1it7 s ILE 60 Ca -0.03 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 58.28 1it7 s ILE 60 Cb -0.05 -2.47 0.02 0.00 1.25 0.00 0.00 42.46 41.21 1it7 s ILE 60 CO -0.04 0.00 0.23 -0.51 0.24 0.00 0.00 174.94 174.87 1it7 s ILE 61 N -3.50 -0.00 0.23 8.37 2.07 -1.00 -1.16 121.20 126.22 1it7 s ILE 61 Ca 0.37 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.64 1it7 s ILE 61 Cb 0.03 -0.33 -0.05 0.00 0.13 0.00 0.00 42.46 42.24 1it7 s ILE 61 CO 0.23 0.00 0.04 -0.89 -1.91 0.00 0.00 174.94 172.41 1it7 s THR 62 N 0.13 0.79 -0.58 4.00 2.01 -0.58 -0.80 115.64 120.61 1it7 s THR 62 Ca -0.00 -2.01 -0.20 0.00 0.31 0.00 0.00 61.69 59.80 1it7 s THR 62 Cb -0.02 -2.43 0.09 0.00 0.01 0.00 0.00 72.50 70.15 1it7 s THR 62 CO 0.00 -0.22 0.73 0.21 -0.69 0.00 0.00 174.62 174.66 1it7 s ASN 63 N -3.29 6.20 0.38 3.53 3.84 -1.26 0.09 114.94 124.43 1it7 s ASN 63 Ca 0.31 -1.21 0.05 0.00 0.21 0.00 0.00 52.86 52.23 1it7 s ASN 63 Cb 0.07 -2.32 0.77 0.00 -0.55 0.00 0.00 41.25 39.21 1it7 s ASN 63 CO 0.10 -1.12 2.04 0.77 -2.79 0.00 0.00 177.10 176.10 1it7 h SER 64 N 9.20 0.58 -0.37 -4.21 4.64 -1.71 -2.24 113.55 119.45 1it7 h SER 64 Ca -0.29 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 1it7 h SER 64 Cb 1.09 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.01 1it7 h SER 64 CO 1.08 0.42 0.19 0.22 -0.87 0.00 0.00 176.83 177.87 1it7 h TYR 65 N 0.69 0.52 -0.30 4.77 3.20 -1.69 0.11 116.97 124.26 1it7 h TYR 65 Ca 0.19 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1it7 h TYR 65 Cb -0.06 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 1it7 h TYR 65 CO -0.00 0.42 0.14 0.82 -1.64 0.00 0.00 178.16 177.90 1it7 h ILE 66 N 0.46 1.16 -0.83 1.81 2.04 -1.81 0.95 117.51 121.30 1it7 h ILE 66 Ca 0.13 -0.48 0.08 0.00 1.00 0.00 0.00 64.86 65.59 1it7 h ILE 66 Cb 0.09 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 37.02 1it7 h ILE 66 CO -0.02 0.17 0.49 0.40 0.00 0.00 0.00 178.15 179.19 1it7 h ILE 67 N 0.35 0.95 0.17 -0.67 2.04 -1.21 -2.56 117.51 116.59 1it7 h ILE 67 Ca 0.10 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1it7 h ILE 67 Cb 0.14 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 1it7 h ILE 67 CO -0.01 0.15 -0.08 0.22 0.00 0.00 0.00 178.15 178.43 1it7 h TYR 68 N 0.84 -0.22 0.00 1.37 3.20 0.02 -2.89 116.97 119.29 1it7 h TYR 68 Ca 0.39 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.25 1it7 h TYR 68 Cb 0.30 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1it7 h TYR 68 CO -0.05 -0.09 0.00 1.63 -1.64 0.00 0.00 178.16 178.00 1it7 n LYS 69 N -5.17 0.50 -4.04 1.82 4.76 0.26 -4.61 118.16 111.68 1it7 n LYS 69 Ca -0.09 0.01 -0.33 0.00 -2.87 0.00 0.00 58.31 55.03 1it7 n LYS 69 Cb 0.13 -1.50 -0.15 0.00 -1.84 0.00 0.00 35.03 31.68 1it7 n LYS 69 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1it7 s ASP 70 N -2.02 4.25 0.18 4.39 -1.08 -1.06 -5.02 116.67 116.31 1it7 s ASP 70 Ca 0.24 -1.15 -0.25 0.00 -0.52 0.00 0.00 52.55 50.87 1it7 s ASP 70 Cb 0.11 -1.58 0.06 0.00 -1.46 0.00 0.00 42.92 40.06 1it7 s ASP 70 CO 0.19 -0.15 1.55 -0.33 0.52 0.00 0.00 175.17 176.95 1it7 h GLU 71 N 7.88 -0.08 -0.13 4.34 5.08 -1.84 0.49 114.58 130.31 1it7 h GLU 71 Ca -0.27 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.12 1it7 h GLU 71 Cb 1.07 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.30 1it7 h GLU 71 CO 0.52 -0.05 -0.29 0.93 -1.00 0.00 0.00 179.01 179.12 1it7 h GLU 72 N -0.09 -0.26 -0.82 2.33 4.39 -1.95 0.22 114.58 118.41 1it7 h GLU 72 Ca 0.22 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.94 1it7 h GLU 72 Cb 0.53 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.19 1it7 h GLU 72 CO -0.87 -0.17 0.49 -0.07 -1.16 0.00 0.00 179.01 177.23 1it7 h LEU 73 N -0.27 0.98 -0.08 1.33 4.07 -1.71 -2.47 115.31 117.16 1it7 h LEU 73 Ca 0.03 -0.06 0.04 0.00 0.08 0.00 0.00 57.88 57.97 1it7 h LEU 73 Cb 0.34 -0.25 -0.05 0.00 1.08 0.00 0.00 40.66 41.79 1it7 h LEU 73 CO -0.27 0.75 -0.20 -0.09 -1.08 0.00 0.00 178.44 177.55 1it7 h ARG 74 N 1.13 -0.28 0.89 1.13 1.12 0.51 0.25 114.38 119.13 1it7 h ARG 74 Ca 0.29 0.02 -0.04 0.00 -1.11 0.00 0.00 59.98 59.14 1it7 h ARG 74 Cb -0.05 0.06 0.01 0.00 -0.01 0.00 0.00 29.97 29.98 1it7 h ARG 74 CO -0.06 -0.18 -0.45 0.00 -3.11 0.00 0.00 179.97 176.17 1it7 h ARG 75 N -0.29 -1.18 -0.86 0.20 3.08 -0.72 -1.79 114.38 112.82 1it7 h ARG 75 Ca 0.08 0.08 0.17 0.00 0.07 0.00 0.00 59.98 60.38 1it7 h ARG 75 Cb 0.40 0.27 -0.07 0.00 0.08 0.00 0.00 29.97 30.66 1it7 h ARG 75 CO -0.24 -0.79 0.57 0.87 -1.07 0.00 0.00 179.97 179.31 1it7 h LYS 76 N -1.22 0.50 0.79 0.04 1.57 -1.37 0.55 116.57 117.42 1it7 h LYS 76 Ca -0.12 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 1it7 h LYS 76 Cb 0.95 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 33.15 1it7 h LYS 76 CO 0.19 0.33 -0.38 0.00 -0.57 0.00 0.00 179.45 179.02 1it7 h ALA 77 N 1.62 -1.06 -0.33 3.86 0.00 -0.31 0.45 119.26 123.48 1it7 h ALA 77 Ca 0.44 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1it7 h ALA 77 Cb 0.93 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1it7 h ALA 77 CO -0.18 -0.99 0.18 -0.07 0.00 0.00 0.00 179.25 178.19 1it7 h LEU 78 N -1.28 0.27 0.71 0.00 3.38 -0.90 1.14 115.31 118.64 1it7 h LEU 78 Ca -0.11 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1it7 h LEU 78 Cb 0.81 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1it7 h LEU 78 CO 0.18 0.20 -0.49 -0.08 0.09 0.00 0.00 178.44 178.34 1it7 h GLU 79 N 0.37 -1.11 0.00 1.13 4.57 0.11 -3.37 114.58 116.28 1it7 h GLU 79 Ca 0.14 0.08 -0.21 0.00 -1.18 0.00 0.00 59.36 58.18 1it7 h GLU 79 Cb 0.03 0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 28.83 1it7 h GLU 79 CO -0.08 -0.74 -1.98 1.28 -1.18 0.00 0.00 179.01 176.31 1it7 n LEU 80 N -5.54 0.27 -0.42 1.64 4.77 0.16 -5.06 117.00 112.83 1it7 n LEU 80 Ca -0.14 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1it7 n LEU 80 Cb 0.49 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 1it7 n LEU 80 CO 0.32 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 1it7 n GLY 81 N 1.51 -2.73 0.10 -0.72 0.00 0.39 -4.32 105.19 99.42 1it7 n GLY 81 Ca -0.18 -0.85 0.06 0.00 0.00 0.00 0.00 46.02 45.05 1it7 n GLY 81 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1it7 n ILE 82 N 0.55 -0.13 0.05 -0.61 -6.64 -0.96 -0.89 119.36 110.73 1it7 n ILE 82 Ca 0.00 0.65 -0.12 0.00 -1.77 0.00 0.00 62.75 61.50 1it7 n ILE 82 Cb 0.00 -0.98 -0.06 0.00 -1.44 0.00 0.00 39.64 37.16 1it7 n ILE 82 CO 0.00 0.00 0.00 0.45 -1.77 0.00 0.00 176.55 175.23 1it7 h HIS 83 N 0.00 -1.03 -0.07 4.28 3.86 -1.82 0.35 115.15 120.73 1it7 h HIS 83 Ca 0.21 0.04 -0.16 0.00 -1.16 0.00 0.00 60.37 59.29 1it7 h HIS 83 Cb 0.48 0.46 -0.01 0.00 1.06 0.00 0.00 27.41 29.40 1it7 h HIS 83 CO -0.10 -0.45 -0.67 0.00 0.86 0.00 0.00 177.93 177.56 1it7 h ARG 84 N -0.51 0.29 -0.83 2.45 2.47 -1.21 -1.08 114.38 115.96 1it7 h ARG 84 Ca 0.06 -0.22 0.02 0.00 -1.26 0.00 0.00 59.98 58.58 1it7 h ARG 84 Cb 0.61 0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 28.92 1it7 h ARG 84 CO -0.31 0.85 0.54 1.98 0.56 0.00 0.00 179.97 183.60 1it7 h MET 85 N 0.20 1.05 -0.01 0.04 1.85 -0.99 -2.42 114.93 114.65 1it7 h MET 85 Ca -0.02 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.01 1it7 h MET 85 Cb 1.21 -0.24 0.00 0.00 0.43 0.00 0.00 31.60 33.01 1it7 h MET 85 CO 0.11 0.70 -0.35 1.28 -0.40 0.00 0.00 176.91 178.25 1it7 n LEU 86 N -4.54 1.34 -3.67 3.39 4.32 0.12 -4.96 117.00 113.01 1it7 n LEU 86 Ca 0.09 -0.42 -0.21 0.00 -0.02 0.00 0.00 56.01 55.45 1it7 n LEU 86 Cb 0.05 -0.08 0.04 0.00 -1.62 0.00 0.00 43.42 41.80 1it7 n LEU 86 CO 0.35 0.25 -0.06 -0.67 -1.22 0.00 0.00 177.39 176.05 1it7 n ASP 87 N -0.47 -1.62 -3.92 -1.43 2.03 -0.49 -4.42 116.55 106.23 1it7 n ASP 87 Ca 0.11 -0.82 -0.19 0.00 0.52 0.00 0.00 54.79 54.42 1it7 n ASP 87 Cb 0.39 -4.12 -0.16 0.00 -0.72 0.00 0.00 41.12 36.51 1it7 n ASP 87 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1it7 s TYR 88 N -3.63 0.69 -0.97 -0.67 5.04 -0.73 -3.58 117.35 113.48 1it7 s TYR 88 Ca 0.04 -0.17 0.10 0.00 -2.44 0.00 0.00 57.07 54.61 1it7 s TYR 88 Cb -0.01 -0.56 0.23 0.00 0.35 0.00 0.00 41.96 41.97 1it7 s TYR 88 CO 0.81 -0.12 1.12 0.09 -1.34 0.00 0.00 175.55 176.11 1it7 n ASN 89 N 3.64 2.59 -1.89 4.32 3.02 -1.26 -4.58 115.26 121.09 1it7 n ASN 89 Ca -0.21 -1.85 0.00 0.00 -0.03 0.00 0.00 54.58 52.49 1it7 n ASN 89 Cb 0.53 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 1it7 n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1it7 n GLY 90 N 0.48 0.26 3.71 7.41 0.00 -1.26 -5.00 105.19 110.78 1it7 n GLY 90 Ca 0.09 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 1it7 n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1it7 s ILE 91 N 0.23 3.70 -0.19 -0.61 1.01 -0.68 -4.96 121.20 119.70 1it7 s ILE 91 Ca 0.00 1.19 -0.01 0.00 0.00 0.00 0.00 60.65 61.83 1it7 s ILE 91 Cb 0.00 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.71 1it7 s ILE 91 CO 0.00 0.06 -0.12 -0.63 0.00 0.00 0.00 174.94 174.25 1it7 s ILE 92 N 1.47 2.75 0.15 2.92 1.01 -1.26 -1.90 121.20 126.34 1it7 s ILE 92 Ca 0.62 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 60.61 1it7 s ILE 92 Cb -0.32 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 1it7 s ILE 92 CO 0.28 0.49 0.07 -0.70 0.00 0.00 0.00 174.94 175.08 1it7 s GLU 93 N 1.26 2.70 0.03 2.79 2.12 -0.31 -1.22 118.70 126.07 1it7 s GLU 93 Ca 0.03 -0.92 0.01 0.00 0.36 0.00 0.00 54.97 54.46 1it7 s GLU 93 Cb -0.14 -2.55 -0.02 0.00 0.26 0.00 0.00 34.13 31.68 1it7 s GLU 93 CO -0.06 0.49 -0.06 0.54 -0.54 0.00 0.00 175.26 175.63 1it7 s VAL 94 N -1.64 0.40 0.17 3.70 0.11 -0.34 -1.52 120.40 121.28 1it7 s VAL 94 Ca 0.29 -0.87 0.01 0.00 -2.93 0.00 0.00 61.98 58.49 1it7 s VAL 94 Cb -0.10 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 1it7 s VAL 94 CO 0.21 -0.32 0.33 -0.62 -3.33 0.00 0.00 175.10 171.37 1it7 s ASP 95 N -1.27 6.36 0.17 3.54 -1.08 0.11 -3.49 116.67 121.01 1it7 s ASP 95 Ca -0.09 0.26 -0.07 0.00 -0.52 0.00 0.00 52.55 52.12 1it7 s ASP 95 Cb -0.08 -1.95 0.04 0.00 -1.46 0.00 0.00 42.92 39.47 1it7 s ASP 95 CO -0.00 0.01 1.50 0.77 0.52 0.00 0.00 175.17 177.97 1it7 h SER 96 N 2.06 0.85 0.00 -0.34 4.64 -1.80 -2.25 113.55 116.70 1it7 h SER 96 Ca -0.48 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.43 1it7 h SER 96 Cb 1.19 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1it7 h SER 96 CO 0.68 1.16 0.00 0.61 -0.87 0.00 0.00 176.83 178.41 1it7 n GLY 97 N 0.14 0.67 0.29 -0.77 0.00 -1.26 -3.99 105.19 100.26 1it7 n GLY 97 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.09 1it7 n GLY 97 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1it7 h SER 98 N 0.00 0.10 -0.78 1.61 0.02 -1.89 -0.80 113.55 111.81 1it7 h SER 98 Ca 0.00 -0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1it7 h SER 98 Cb 0.00 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.47 1it7 h SER 98 CO 0.00 0.07 0.50 0.15 -1.14 0.00 0.00 176.83 176.41 1it7 h PHE 99 N 0.12 0.93 0.00 3.45 3.57 -1.94 0.47 116.94 123.54 1it7 h PHE 99 Ca 0.07 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 1it7 h PHE 99 Cb 0.15 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 1it7 h PHE 99 CO -0.00 0.54 -0.22 1.96 -2.23 0.00 0.00 178.31 178.36 1it7 h GLN 100 N 0.97 0.00 -0.60 1.11 7.50 -1.56 -1.87 115.11 120.66 1it7 h GLN 100 Ca 0.31 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.40 1it7 h GLN 100 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.51 1it7 h GLN 100 CO -0.11 0.22 0.14 -0.07 -1.50 0.00 0.00 178.83 177.50 1it7 h LEU 101 N 0.00 0.89 -0.15 1.46 4.07 -0.70 0.26 115.31 121.14 1it7 h LEU 101 Ca -0.00 -0.17 0.05 0.00 0.08 0.00 0.00 57.88 57.83 1it7 h LEU 101 Cb 0.40 -0.23 -0.06 0.00 1.08 0.00 0.00 40.66 41.85 1it7 h LEU 101 CO 0.03 0.87 -0.20 0.24 -1.08 0.00 0.00 178.44 178.29 1it7 h MET 102 N 0.90 -0.24 0.00 1.13 2.86 -0.65 0.30 114.93 119.24 1it7 h MET 102 Ca 0.19 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1it7 h MET 102 Cb 0.34 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1it7 h MET 102 CO 0.00 -0.16 -0.73 0.36 1.06 0.00 0.00 176.91 177.44 1it7 n LYS 103 N -5.34 0.18 0.00 1.72 2.85 -1.13 -4.48 118.16 111.95 1it7 n LYS 103 Ca -0.02 0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1it7 n LYS 103 Cb 0.26 -1.58 0.00 0.00 -0.65 0.00 0.00 35.03 33.05 1it7 n LYS 103 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1it7 n TYR 104 N -1.83 0.00 -2.96 5.58 0.53 0.90 -5.08 117.16 114.31 1it7 n TYR 104 Ca 0.04 0.00 -0.10 0.00 -1.02 0.00 0.00 57.90 56.81 1it7 n TYR 104 Cb 0.40 0.00 0.01 0.00 -1.03 0.00 0.00 39.34 38.72 1it7 n TYR 104 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1it7 n GLY 105 N 2.26 -1.78 0.00 2.72 0.00 0.11 -4.93 105.19 103.57 1it7 n GLY 105 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 46.02 46.93 1it7 n GLY 105 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1it7 n SER 106 N 0.15 0.00 -3.99 1.61 2.88 -1.26 -5.04 113.62 107.97 1it7 n SER 106 Ca 0.04 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.49 1it7 n SER 106 Cb 0.37 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.76 1it7 n SER 106 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1it7 s ILE 107 N -1.81 0.09 -1.25 2.46 -4.36 -1.26 -4.72 121.20 110.34 1it7 s ILE 107 Ca 0.00 -1.47 -0.05 0.00 -0.26 0.00 0.00 60.65 58.87 1it7 s ILE 107 Cb 0.00 -1.79 0.12 0.00 1.25 0.00 0.00 42.46 42.04 1it7 s ILE 107 CO 0.00 -0.41 2.40 -0.62 0.24 0.00 0.00 174.94 176.55 1it7 n GLU 108 N -0.15 4.48 -3.57 0.37 4.71 -1.26 -4.85 120.64 120.36 1it7 n GLU 108 Ca -0.08 -3.42 -0.13 0.00 -0.01 0.00 0.00 57.16 53.52 1it7 n GLU 108 Cb 0.63 -2.59 -0.06 0.00 -1.01 0.00 0.00 31.44 28.41 1it7 n GLU 108 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1it7 s VAL 109 N -1.33 0.00 0.22 2.62 0.11 -1.26 -5.06 120.40 115.70 1it7 s VAL 109 Ca 0.54 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.61 1it7 s VAL 109 Cb 0.20 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 1it7 s VAL 109 CO -0.11 0.00 0.37 -0.94 -3.33 0.00 0.00 175.10 171.10 1it7 s SER 110 N -0.89 6.34 0.24 3.54 1.04 -1.26 -4.97 113.70 117.75 1it7 s SER 110 Ca -0.04 0.25 -0.05 0.00 0.48 0.00 0.00 55.95 56.59 1it7 s SER 110 Cb -0.01 -1.94 0.45 0.00 0.10 0.00 0.00 66.02 64.62 1it7 s SER 110 CO 0.03 -0.06 1.71 -1.13 0.98 0.00 0.00 173.24 174.78 1it7 h ASN 111 N 1.64 0.18 -0.29 7.02 -0.00 -1.99 -1.17 115.58 120.96 1it7 h ASN 111 Ca -0.49 0.12 -0.05 0.00 -0.00 0.00 0.00 56.30 55.88 1it7 h ASN 111 Cb 1.21 0.13 -0.01 0.00 -0.00 0.00 0.00 38.32 39.64 1it7 h ASN 111 CO 0.65 0.05 0.00 -0.09 -0.00 0.00 0.00 177.43 178.05 1it7 h ARG 112 N 0.37 0.52 0.51 6.67 2.43 -1.96 -2.65 114.38 120.27 1it7 h ARG 112 Ca 0.41 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 1it7 h ARG 112 Cb 0.65 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1it7 h ARG 112 CO -0.44 0.66 -0.46 0.93 -1.51 0.00 0.00 179.97 179.15 1it7 h GLU 113 N 0.31 -0.93 -0.57 0.20 5.08 -1.62 -1.62 114.58 115.42 1it7 h GLU 113 Ca 0.08 0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 1it7 h GLU 113 Cb 0.43 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 1it7 h GLU 113 CO 0.01 -0.62 0.33 -0.84 -1.00 0.00 0.00 179.01 176.89 1it7 h ILE 114 N -0.97 1.03 -0.72 3.13 3.07 -1.49 -0.54 117.51 121.02 1it7 h ILE 114 Ca -0.06 -0.22 0.11 0.00 1.55 0.00 0.00 64.86 66.24 1it7 h ILE 114 Cb 0.84 0.32 -0.08 0.00 -0.27 0.00 0.00 36.82 37.63 1it7 h ILE 114 CO -0.03 0.12 0.32 0.40 -1.05 0.00 0.00 178.15 177.90 1it7 h ILE 115 N 0.65 0.76 0.00 0.16 2.04 -1.32 0.30 117.51 120.10 1it7 h ILE 115 Ca 0.24 -0.18 -0.14 0.00 1.00 0.00 0.00 64.86 65.79 1it7 h ILE 115 Cb 0.07 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 1it7 h ILE 115 CO -0.12 0.09 -0.65 -0.33 0.00 0.00 0.00 178.15 177.14 1it7 h GLU 116 N 0.52 0.00 -0.30 2.37 5.08 -0.81 -2.80 114.58 118.64 1it7 h GLU 116 Ca 0.37 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.66 1it7 h GLU 116 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1it7 h GLU 116 CO -0.33 0.65 -0.11 0.35 -1.00 0.00 0.00 179.01 178.57 1it7 h PHE 117 N 0.00 0.69 -0.49 4.33 3.57 0.58 -1.03 116.94 124.58 1it7 h PHE 117 Ca -0.01 -0.16 0.02 0.00 3.53 0.00 0.00 57.97 61.35 1it7 h PHE 117 Cb 1.18 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 1it7 h PHE 117 CO 0.00 0.82 0.32 1.96 -2.23 0.00 0.00 178.31 179.18 1it7 h GLN 118 N 0.36 0.60 -0.55 1.11 4.20 -0.44 -0.15 115.11 120.24 1it7 h GLN 118 Ca 0.07 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.64 1it7 h GLN 118 Cb 0.62 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 1it7 h GLN 118 CO 0.04 0.40 -0.08 0.45 -0.67 0.00 0.00 178.83 178.97 1it7 h HIS 119 N 0.62 1.14 -0.19 2.96 3.86 -1.18 -2.91 115.15 119.45 1it7 h HIS 119 Ca 0.19 -0.23 -0.11 0.00 -1.16 0.00 0.00 60.37 59.06 1it7 h HIS 119 Cb -0.01 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.17 1it7 h HIS 119 CO -0.00 1.04 -0.37 0.00 0.86 0.00 0.00 177.93 179.46 1it7 h ARG 120 N 0.91 0.41 -0.27 2.45 3.08 0.26 -3.19 114.38 118.03 1it7 h ARG 120 Ca 0.15 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1it7 h ARG 120 Cb 0.64 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1it7 h ARG 120 CO 0.04 0.72 0.00 0.44 -1.07 0.00 0.00 179.97 180.11 1it7 n ILE 121 N -4.05 0.36 -1.58 2.04 -5.35 -0.55 -4.87 119.36 105.36 1it7 n ILE 121 Ca -0.01 -0.38 -0.07 0.00 -0.27 0.00 0.00 62.75 62.02 1it7 n ILE 121 Cb 0.47 0.21 -0.02 0.00 -1.74 0.00 0.00 39.64 38.57 1it7 n ILE 121 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1it7 n GLY 122 N 0.99 0.58 3.72 3.28 0.00 -1.20 -2.27 105.19 110.29 1it7 n GLY 122 Ca 0.11 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 1it7 n GLY 122 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1it7 n VAL 123 N -3.28 1.42 0.07 1.61 0.31 -1.10 -4.84 118.33 112.52 1it7 n VAL 123 Ca -0.08 -0.36 -0.15 0.00 -0.01 0.00 0.00 64.34 63.74 1it7 n VAL 123 Cb 0.37 -1.75 -0.07 0.00 -0.91 0.00 0.00 33.84 31.48 1it7 n VAL 123 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1it7 h ASP 124 N 3.76 0.61 -3.41 4.52 3.32 -1.52 -3.45 116.42 120.27 1it7 h ASP 124 Ca -0.47 -0.51 -0.33 0.00 0.02 0.00 0.00 57.03 55.74 1it7 h ASP 124 Cb 1.25 -0.19 -0.36 0.00 0.22 0.00 0.00 39.33 40.25 1it7 h ASP 124 CO 0.72 1.32 -0.72 -0.63 -1.72 0.00 0.00 179.24 178.20 1it7 s ILE 125 N -3.19 -0.09 0.57 0.35 1.01 -1.03 -4.24 121.20 114.59 1it7 s ILE 125 Ca -0.07 0.32 0.08 0.00 0.00 0.00 0.00 60.65 60.98 1it7 s ILE 125 Cb 0.08 -0.13 0.07 0.00 0.01 0.00 0.00 42.46 42.49 1it7 s ILE 125 CO 0.88 0.13 0.63 -0.83 0.00 0.00 0.00 174.94 175.75 1it7 s GLY 126 N 1.61 2.02 -0.08 6.18 0.00 0.15 -1.20 107.32 116.00 1it7 s GLY 126 Ca -0.02 -1.73 -0.09 0.00 0.00 0.00 0.00 44.72 42.87 1it7 s GLY 126 CO -0.03 -1.82 0.25 -1.59 0.00 0.00 0.00 173.10 169.91 1it7 s THR 127 N -2.74 0.01 0.60 0.90 2.01 -1.23 -0.33 115.64 114.87 1it7 s THR 127 Ca 0.49 -0.08 0.05 0.00 0.31 0.00 0.00 61.69 62.46 1it7 s THR 127 Cb -0.04 -0.38 0.09 0.00 0.01 0.00 0.00 72.50 72.18 1it7 s THR 127 CO 0.31 -0.05 0.83 0.72 -0.69 0.00 0.00 174.62 175.75 1it7 s PHE 128 N -0.08 1.73 -1.41 4.92 -0.12 -1.26 -4.06 117.98 117.69 1it7 s PHE 128 Ca -0.02 -0.49 -0.14 0.00 -0.05 0.00 0.00 56.93 56.23 1it7 s PHE 128 Cb -0.02 -2.53 0.02 0.00 -0.63 0.00 0.00 43.02 39.86 1it7 s PHE 128 CO 0.01 -1.24 2.24 1.28 -0.05 0.00 0.00 175.22 177.46 1it7 n LEU 129 N -2.40 6.72 -4.79 -1.99 4.77 -1.26 -4.55 117.00 113.50 1it7 n LEU 129 Ca 0.14 -4.05 -0.35 0.00 -0.03 0.00 0.00 56.01 51.72 1it7 n LEU 129 Cb 0.61 -1.61 -0.03 0.00 -2.33 0.00 0.00 43.42 40.06 1it7 n LEU 129 CO 0.41 1.03 0.74 1.51 -1.33 0.00 0.00 177.39 179.75 1it7 s ASP 130 N 3.30 6.38 -0.39 -1.43 1.47 -1.26 -4.82 116.67 119.92 1it7 s ASP 130 Ca 0.49 2.02 -0.16 0.00 1.18 0.00 0.00 52.55 56.07 1it7 s ASP 130 Cb 0.14 -2.57 0.01 0.00 -0.34 0.00 0.00 42.92 40.16 1it7 s ASP 130 CO -0.07 -0.76 0.41 -0.63 0.68 0.00 0.00 175.17 174.79 1it7 s ILE 131 N -1.83 5.12 -1.08 2.11 1.01 -1.26 -4.71 121.20 120.56 1it7 s ILE 131 Ca 0.65 -0.17 -0.20 0.00 0.00 0.00 0.00 60.65 60.93 1it7 s ILE 131 Cb -0.20 -3.95 -0.07 0.00 0.01 0.00 0.00 42.46 38.26 1it7 s ILE 131 CO 0.24 -0.28 1.97 -2.65 0.00 0.00 0.00 174.94 174.22 1it7 n PRO 132 N 5.51 2.04 -1.64 2.79 -0.02 -1.26 -4.89 135.00 137.53 1it7 n PRO 132 Ca -0.08 -2.33 -0.46 0.00 -2.02 0.00 0.00 63.50 58.61 1it7 n PRO 132 Cb 0.48 -3.25 -0.03 0.00 -0.02 0.00 0.00 33.50 30.68 1it7 n PRO 132 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1it7 n THR 133 N 6.26 0.97 -1.10 3.45 -1.04 -1.26 -4.73 114.28 116.82 1it7 n THR 133 Ca 0.49 -0.24 -0.32 0.00 -2.04 0.00 0.00 64.05 61.94 1it7 n THR 133 Cb 0.42 -1.28 0.12 0.00 -1.82 0.00 0.00 70.33 67.77 1it7 n THR 133 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1it7 s PRO 134 N -0.45 1.73 0.19 -2.82 0.02 -1.26 -4.55 135.00 127.86 1it7 s PRO 134 Ca 0.69 1.52 -0.24 0.00 0.02 0.00 0.00 61.00 62.99 1it7 s PRO 134 Cb -0.71 -1.81 0.08 0.00 0.02 0.00 0.00 34.50 32.09 1it7 s PRO 134 CO 0.51 -2.10 1.52 -2.30 -0.33 0.00 0.00 177.00 174.31 1it7 n PRO 135 N -3.52 -0.33 -2.10 5.54 -0.02 -1.26 -3.17 135.00 130.14 1it7 n PRO 135 Ca 0.12 1.50 -0.26 0.00 -2.02 0.00 0.00 63.50 62.84 1it7 n PRO 135 Cb 0.52 -2.22 0.02 0.00 -0.02 0.00 0.00 33.50 31.80 1it7 n PRO 135 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1it7 n ASP 136 N -5.34 5.08 -4.72 2.55 8.00 -1.26 -2.74 116.55 118.12 1it7 n ASP 136 Ca 0.06 -3.75 -0.33 0.00 0.71 0.00 0.00 54.79 51.49 1it7 n ASP 136 Cb 0.33 -0.42 0.11 0.00 -0.02 0.00 0.00 41.12 41.11 1it7 n ASP 136 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1it7 s ALA 137 N -3.61 2.01 0.64 2.24 0.00 -1.19 -4.95 121.76 116.89 1it7 s ALA 137 Ca 0.51 0.68 -0.18 0.00 0.00 0.00 0.00 51.96 52.97 1it7 s ALA 137 Cb 0.41 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 20.10 1it7 s ALA 137 CO -0.03 -2.03 1.25 -2.14 0.00 0.00 0.00 175.76 172.81 1it7 s PRO 138 N -4.27 2.66 0.30 0.00 0.02 -1.26 -4.76 135.00 127.69 1it7 s PRO 138 Ca 0.69 1.94 0.02 0.00 0.02 0.00 0.00 61.00 63.67 1it7 s PRO 138 Cb -0.25 -1.87 0.56 0.00 0.02 0.00 0.00 34.50 32.96 1it7 s PRO 138 CO 0.50 -1.48 1.87 -0.09 -0.33 0.00 0.00 177.00 177.47 1it7 h ARG 139 N 0.58 0.96 -0.59 5.54 2.43 -1.99 -1.51 114.38 119.80 1it7 h ARG 139 Ca -0.50 -0.06 0.07 0.00 -0.81 0.00 0.00 59.98 58.67 1it7 h ARG 139 Cb 1.32 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 30.62 1it7 h ARG 139 CO 0.53 0.64 0.39 0.93 -1.51 0.00 0.00 179.97 180.95 1it7 h GLU 140 N 0.99 0.52 0.17 0.20 5.08 -1.99 0.77 114.58 120.33 1it7 h GLU 140 Ca 0.45 -0.03 -0.31 0.00 -1.00 0.00 0.00 59.36 58.47 1it7 h GLU 140 Cb 0.39 -0.12 0.03 0.00 0.50 0.00 0.00 28.75 29.55 1it7 h GLU 140 CO -0.21 0.35 -1.32 0.37 -1.00 0.00 0.00 179.01 177.20 1it7 h GLN 141 N 0.54 0.59 -0.91 2.33 4.15 -1.65 0.40 115.11 120.55 1it7 h GLN 141 Ca 0.26 -0.87 0.00 0.00 0.77 0.00 0.00 58.65 58.81 1it7 h GLN 141 Cb 0.32 0.30 -0.04 0.00 0.21 0.00 0.00 27.48 28.27 1it7 h GLN 141 CO -0.07 1.40 0.58 0.00 -1.93 0.00 0.00 178.83 178.81 1it7 h ALA 142 N 0.23 1.31 -0.02 3.38 0.00 -0.85 -1.88 119.26 121.43 1it7 h ALA 142 Ca -0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1it7 h ALA 142 Cb 2.00 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1it7 h ALA 142 CO 0.25 0.62 -0.07 0.28 0.00 0.00 0.00 179.25 180.33 1it7 h VAL 143 N 1.25 1.50 0.13 0.00 2.07 -0.86 -2.66 116.25 117.68 1it7 h VAL 143 Ca 0.33 -1.58 0.01 0.00 0.82 0.00 0.00 66.70 66.28 1it7 h VAL 143 Cb -0.11 2.51 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 1it7 h VAL 143 CO -0.07 0.42 -0.37 0.50 0.02 0.00 0.00 177.57 178.08 1it7 h LYS 144 N -0.54 -0.53 -0.74 1.57 3.64 -0.74 -2.05 116.57 117.18 1it7 h LYS 144 Ca -0.00 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.52 1it7 h LYS 144 Cb 0.73 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.62 1it7 h LYS 144 CO 0.02 -0.36 0.49 0.93 -2.27 0.00 0.00 179.45 178.26 1it7 h GLU 145 N -0.55 0.56 -0.48 1.90 5.08 -1.48 -1.58 114.58 118.03 1it7 h GLU 145 Ca -0.01 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1it7 h GLU 145 Cb 0.54 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1it7 h GLU 145 CO -0.18 0.37 0.05 1.25 -1.00 0.00 0.00 179.01 179.51 1it7 h LEU 146 N 0.58 0.79 -0.82 1.33 5.85 -1.08 0.32 115.31 122.27 1it7 h LEU 146 Ca 0.35 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1it7 h LEU 146 Cb 0.58 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1it7 h LEU 146 CO -0.13 0.87 0.34 -0.33 -0.34 0.00 0.00 178.44 178.85 1it7 h GLU 147 N 0.68 1.20 -0.46 1.25 4.39 -0.62 0.21 114.58 121.23 1it7 h GLU 147 Ca 0.14 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 1it7 h GLU 147 Cb 0.43 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1it7 h GLU 147 CO 0.01 0.96 0.16 0.82 -1.16 0.00 0.00 179.01 179.81 1it7 h ILE 148 N 1.17 1.22 -0.02 3.13 2.04 -1.02 -0.75 117.51 123.28 1it7 h ILE 148 Ca 0.27 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.46 1it7 h ILE 148 Cb 0.20 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1it7 h ILE 148 CO -0.02 0.25 -0.11 0.74 0.00 0.00 0.00 178.15 179.00 1it7 h THR 149 N 0.60 0.71 -0.07 -0.27 2.02 0.61 -2.08 112.91 114.42 1it7 h THR 149 Ca 0.15 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.32 1it7 h THR 149 Cb 0.23 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1it7 h THR 149 CO -0.01 0.00 -0.01 -0.07 0.37 0.00 0.00 175.52 175.81 1it7 h LEU 150 N -0.19 0.09 -0.66 2.58 3.38 -0.38 0.14 115.31 120.28 1it7 h LEU 150 Ca 0.05 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 1it7 h LEU 150 Cb 0.25 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1it7 h LEU 150 CO -0.13 0.12 -0.42 0.77 0.09 0.00 0.00 178.44 178.87 1it7 h SER 151 N 0.10 0.60 0.78 -0.43 4.64 -0.60 0.12 113.55 118.77 1it7 h SER 151 Ca 0.03 -0.27 -0.08 0.00 -0.47 0.00 0.00 61.79 60.99 1it7 h SER 151 Cb 0.08 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 1it7 h SER 151 CO 0.00 0.94 -0.40 0.03 -0.87 0.00 0.00 176.83 176.53 1it7 h ARG 152 N 0.46 0.00 -0.25 4.77 3.08 -0.52 -0.65 114.38 121.27 1it7 h ARG 152 Ca 0.04 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.97 1it7 h ARG 152 Cb 0.92 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.97 1it7 h ARG 152 CO 0.08 0.40 -0.31 0.00 -1.07 0.00 0.00 179.97 179.07 1it7 h ALA 153 N 1.60 0.38 -0.75 0.04 0.00 0.04 -0.42 119.26 120.15 1it7 h ALA 153 Ca -0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1it7 h ALA 153 Cb 0.90 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1it7 h ALA 153 CO 0.05 0.41 0.25 0.00 0.00 0.00 0.00 179.25 179.97 1it7 h ARG 154 N 0.38 1.16 -0.56 0.00 3.08 -0.42 0.91 114.38 118.93 1it7 h ARG 154 Ca 0.03 -0.24 -0.11 0.00 0.07 0.00 0.00 59.98 59.74 1it7 h ARG 154 Cb 0.89 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 1it7 h ARG 154 CO 0.07 0.98 -0.07 1.49 -1.07 0.00 0.00 179.97 181.37 1it7 h GLU 155 N 1.11 1.03 -0.42 0.04 4.81 -1.03 -2.41 114.58 117.71 1it7 h GLU 155 Ca 0.25 -0.36 -0.09 0.00 -0.13 0.00 0.00 59.36 59.02 1it7 h GLU 155 Cb 0.29 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1it7 h GLU 155 CO -0.01 1.05 -0.12 0.00 -0.73 0.00 0.00 179.01 179.20 1it7 h ALA 156 N 0.94 1.00 -0.30 2.92 0.00 -0.64 -2.30 119.26 120.89 1it7 h ALA 156 Ca 0.15 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1it7 h ALA 156 Cb 0.63 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1it7 h ALA 156 CO 0.04 0.60 -0.18 1.49 0.00 0.00 0.00 179.25 181.20 1it7 h GLU 157 N 0.69 0.53 0.41 0.00 4.81 -0.69 0.35 114.58 120.68 1it7 h GLU 157 Ca 0.12 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1it7 h GLU 157 Cb 0.59 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1it7 h GLU 157 CO 0.04 0.69 -0.20 0.93 -0.73 0.00 0.00 179.01 179.74 1it7 h GLU 158 N 0.48 -0.53 0.00 1.92 5.08 -1.00 -3.33 114.58 117.20 1it7 h GLU 158 Ca 0.08 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1it7 h GLU 158 Cb 0.58 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1it7 h GLU 158 CO 0.04 -0.23 -0.59 -0.84 -1.00 0.00 0.00 179.01 176.39 1it7 h ILE 159 N -0.85 0.00 -1.12 3.13 3.07 -1.43 -3.48 117.51 116.83 1it7 h ILE 159 Ca -0.06 -0.54 -0.74 0.00 1.55 0.00 0.00 64.86 65.07 1it7 h ILE 159 Cb 0.55 1.15 0.07 0.00 -0.27 0.00 0.00 36.82 38.32 1it7 h ILE 159 CO 0.09 0.00 -0.04 1.17 -1.05 0.00 0.00 178.15 178.32 1it7 n LYS 160 N -2.18 0.17 -1.51 0.16 4.81 0.12 -4.86 118.16 114.86 1it7 n LYS 160 Ca 0.03 0.06 0.03 0.00 -0.87 0.00 0.00 58.31 57.56 1it7 n LYS 160 Cb 0.45 -1.45 0.01 0.00 0.02 0.00 0.00 35.03 34.06 1it7 n LYS 160 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1it7 n GLU 161 N 1.46 0.07 -3.52 1.64 -0.58 -1.26 -5.02 120.64 113.43 1it7 n GLU 161 Ca 0.19 -1.96 -0.13 0.00 -0.42 0.00 0.00 57.16 54.84 1it7 n GLU 161 Cb 0.14 -0.01 -0.04 0.00 -0.57 0.00 0.00 31.44 30.95 1it7 n GLU 161 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1it7 s ILE 162 N -0.15 0.00 0.50 -3.67 1.01 -1.26 -5.03 121.20 112.60 1it7 s ILE 162 Ca 0.30 0.00 -0.23 0.00 0.00 0.00 0.00 60.65 60.72 1it7 s ILE 162 Cb 0.35 -1.00 -0.06 0.00 0.01 0.00 0.00 42.46 41.76 1it7 s ILE 162 CO -0.15 0.00 1.34 -2.84 0.00 0.00 0.00 174.94 173.29 1it7 s PRO 163 N -1.96 3.40 0.04 2.79 0.02 -1.26 -4.82 135.00 133.21 1it7 s PRO 163 Ca -0.03 2.20 -0.01 0.00 0.02 0.00 0.00 61.00 63.18 1it7 s PRO 163 Cb -0.00 -2.39 -0.03 0.00 0.02 0.00 0.00 34.50 32.09 1it7 s PRO 163 CO -0.00 -0.97 -0.03 -1.64 -0.33 0.00 0.00 177.00 174.03 1it7 s MET 164 N -2.74 0.52 -0.15 5.54 -1.94 -1.26 -0.67 119.30 118.59 1it7 s MET 164 Ca 0.67 -1.01 -0.21 0.00 -1.71 0.00 0.00 55.69 53.43 1it7 s MET 164 Cb -0.39 0.18 -0.03 0.00 2.01 0.00 0.00 34.83 36.60 1it7 s MET 164 CO 0.48 -0.09 0.64 -0.80 -0.01 0.00 0.00 175.02 175.23 1it7 s ASN 165 N -2.44 6.77 -0.60 3.03 0.02 0.56 -3.20 114.94 119.07 1it7 s ASN 165 Ca -0.01 0.94 -0.03 0.00 -1.02 0.00 0.00 52.86 52.74 1it7 s ASN 165 Cb 0.02 -2.36 0.16 0.00 0.02 0.00 0.00 41.25 39.09 1it7 s ASN 165 CO -0.07 -0.20 0.42 0.00 0.02 0.00 0.00 177.10 177.27 1it7 s ALA 166 N 1.47 3.54 -0.05 0.60 0.00 -0.37 -4.13 121.76 122.81 1it7 s ALA 166 Ca 0.31 -3.18 -0.30 0.00 0.00 0.00 0.00 51.96 48.79 1it7 s ALA 166 Cb -0.16 -2.65 -0.05 0.00 0.00 0.00 0.00 23.12 20.26 1it7 s ALA 166 CO 0.12 -2.07 1.47 0.99 0.00 0.00 0.00 175.76 176.27 1it7 s THR 167 N 0.08 3.77 0.04 0.00 2.01 -1.26 -3.85 115.64 116.44 1it7 s THR 167 Ca 0.16 1.04 -0.31 0.00 0.31 0.00 0.00 61.69 62.89 1it7 s THR 167 Cb -0.20 -3.67 -0.06 0.00 0.01 0.00 0.00 72.50 68.57 1it7 s THR 167 CO -0.04 -0.05 1.38 -0.63 -0.69 0.00 0.00 174.62 174.59 1it7 s ILE 168 N 3.23 3.63 -0.38 1.82 1.09 0.18 -4.84 121.20 125.92 1it7 s ILE 168 Ca 0.65 1.08 0.11 0.00 -1.10 0.00 0.00 60.65 61.40 1it7 s ILE 168 Cb -0.30 -3.70 0.33 0.00 -1.06 0.00 0.00 42.46 37.74 1it7 s ILE 168 CO 0.25 0.03 0.70 1.67 -0.10 0.00 0.00 174.94 177.49 1it7 n GLN 169 N 4.82 1.01 -1.05 2.79 -0.06 -1.26 -1.63 117.38 121.99 1it7 n GLN 169 Ca 0.12 -3.41 -0.16 0.00 -2.00 0.00 0.00 57.00 51.56 1it7 n GLN 169 Cb 0.44 -1.65 0.19 0.00 -4.06 0.00 0.00 30.24 25.15 1it7 n GLN 169 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1it7 n GLY 170 N 0.45 4.70 7.00 1.69 0.00 -1.26 -4.62 105.19 113.15 1it7 n GLY 170 Ca 0.25 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1it7 n GLY 170 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1it7 n SER 171 N -1.14 0.00 -1.85 1.61 2.88 -1.26 -2.44 113.62 111.42 1it7 n SER 171 Ca 0.48 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.94 1it7 n SER 171 Cb 1.39 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 65.12 1it7 n SER 171 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1it7 n THR 172 N 0.00 2.90 -3.48 2.46 -2.24 -1.11 -4.84 114.28 107.96 1it7 n THR 172 Ca 0.00 -1.85 -0.42 0.00 -2.27 0.00 0.00 64.05 59.50 1it7 n THR 172 Cb 0.00 -0.37 -0.08 0.00 -2.10 0.00 0.00 70.33 67.78 1it7 n THR 172 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1it7 s TYR 173 N -3.07 3.33 0.45 4.78 1.51 -1.02 -4.94 117.35 118.39 1it7 s TYR 173 Ca 0.53 -1.48 0.21 0.00 -1.01 0.00 0.00 57.07 55.32 1it7 s TYR 173 Cb 0.44 -3.36 1.19 0.00 -0.11 0.00 0.00 41.96 40.12 1it7 s TYR 173 CO 0.11 -0.92 1.89 1.79 -1.11 0.00 0.00 175.55 177.31 1it7 h THR 174 N 6.00 0.68 -0.10 -0.71 1.35 -1.88 0.30 112.91 118.55 1it7 h THR 174 Ca -0.25 -0.10 -0.12 0.00 -0.55 0.00 0.00 66.41 65.40 1it7 h THR 174 Cb 1.09 0.37 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 1it7 h THR 174 CO 0.88 0.05 -0.46 -2.24 -0.25 0.00 0.00 175.52 173.50 1it7 h ASP 175 N 0.29 0.25 0.46 5.36 2.03 -1.94 -0.48 116.42 122.37 1it7 h ASP 175 Ca 0.42 -0.11 -0.19 0.00 -0.73 0.00 0.00 57.03 56.42 1it7 h ASP 175 Cb 1.20 -0.07 -0.01 0.00 -0.83 0.00 0.00 39.33 39.62 1it7 h ASP 175 CO -0.12 0.67 -0.80 -0.07 -1.03 0.00 0.00 179.24 177.90 1it7 h LEU 176 N 0.19 0.32 -0.38 0.15 3.38 -0.79 -2.46 115.31 115.72 1it7 h LEU 176 Ca 0.01 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1it7 h LEU 176 Cb 0.88 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1it7 h LEU 176 CO 0.07 0.99 0.05 0.03 0.09 0.00 0.00 178.44 179.67 1it7 h ARG 177 N 0.16 0.64 0.32 1.13 2.47 -0.67 -0.01 114.38 118.43 1it7 h ARG 177 Ca -0.04 -0.18 -0.00 0.00 -1.26 0.00 0.00 59.98 58.50 1it7 h ARG 177 Cb 1.39 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.62 1it7 h ARG 177 CO 0.13 0.71 -0.33 -0.09 0.56 0.00 0.00 179.97 180.94 1it7 h ARG 178 N 0.48 -0.66 0.00 0.04 2.43 -1.04 0.15 114.38 115.78 1it7 h ARG 178 Ca 0.11 0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.36 1it7 h ARG 178 Cb 0.39 0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.05 1it7 h ARG 178 CO 0.01 -0.44 -0.22 -0.92 -1.51 0.00 0.00 179.97 176.89 1it7 h TYR 179 N -0.69 -0.58 -0.95 2.20 3.20 -1.41 0.20 116.97 118.95 1it7 h TYR 179 Ca -0.02 0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.03 1it7 h TYR 179 Cb 0.63 0.26 -0.08 0.00 1.54 0.00 0.00 36.73 39.07 1it7 h TYR 179 CO -0.20 -0.31 0.60 0.00 -1.64 0.00 0.00 178.16 176.61 1it7 h ALA 180 N 0.52 1.76 -0.08 1.82 0.00 -0.72 -0.91 119.26 121.65 1it7 h ALA 180 Ca 0.06 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1it7 h ALA 180 Cb 0.43 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1it7 h ALA 180 CO -0.20 -0.04 -0.19 0.00 0.00 0.00 0.00 179.25 178.82 1it7 h ALA 181 N 1.60 0.13 -0.12 0.00 0.00 0.33 -2.59 119.26 118.60 1it7 h ALA 181 Ca 0.50 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1it7 h ALA 181 Cb 0.76 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 1it7 h ALA 181 CO -0.26 0.07 -0.47 0.00 0.00 0.00 0.00 179.25 178.60 1it7 h ARG 182 N -0.22 -0.51 -0.10 0.00 3.08 0.46 0.16 114.38 117.24 1it7 h ARG 182 Ca -0.00 0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.12 1it7 h ARG 182 Cb 0.80 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.92 1it7 h ARG 182 CO 0.04 -0.34 -0.14 0.00 -1.07 0.00 0.00 179.97 178.45 1it7 h ARG 183 N -0.53 -0.18 -0.28 0.04 2.47 -1.29 -1.14 114.38 113.46 1it7 h ARG 183 Ca 0.06 0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.74 1it7 h ARG 183 Cb 0.65 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.00 1it7 h ARG 183 CO -0.41 -0.12 -0.06 -0.07 0.56 0.00 0.00 179.97 179.87 1it7 h LEU 184 N -0.19 0.42 -0.67 3.04 -0.00 -1.18 -2.52 115.31 114.21 1it7 h LEU 184 Ca 0.08 -0.09 -0.06 0.00 -0.00 0.00 0.00 57.88 57.81 1it7 h LEU 184 Cb 0.31 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 40.83 1it7 h LEU 184 CO -0.21 0.54 0.18 0.28 -0.00 0.00 0.00 178.44 179.22 1it7 h SER 185 N 0.43 1.00 0.79 -0.43 0.02 -0.21 -2.17 113.55 112.98 1it7 h SER 185 Ca 0.09 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1it7 h SER 185 Cb 0.38 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 1it7 h SER 185 CO 0.02 0.97 -0.02 0.77 -1.14 0.00 0.00 176.83 177.43 1it7 h SER 186 N 0.99 0.00 -3.27 3.07 4.64 -0.84 -3.44 113.55 114.69 1it7 h SER 186 Ca 0.21 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 61.08 1it7 h SER 186 Cb 0.35 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.49 1it7 h SER 186 CO -0.00 0.02 0.11 -0.04 -0.87 0.00 0.00 176.83 176.04 1it7 s MET 187 N -3.78 2.54 -1.00 4.77 1.00 -0.82 -5.01 119.30 116.99 1it7 s MET 187 Ca -0.00 -0.38 -0.18 0.00 0.00 0.00 0.00 55.69 55.14 1it7 s MET 187 Cb 0.10 -2.32 0.14 0.00 0.00 0.00 0.00 34.83 32.75 1it7 s MET 187 CO 0.52 -0.87 1.21 1.21 0.00 0.00 0.00 175.02 177.09 1it7 s ASN 188 N -4.41 6.74 0.09 3.03 3.04 -1.26 -4.96 114.94 117.21 1it7 s ASN 188 Ca 0.57 -2.28 0.01 0.00 0.04 0.00 0.00 52.86 51.20 1it7 s ASN 188 Cb -0.10 -2.40 -0.04 0.00 -1.54 0.00 0.00 41.25 37.16 1it7 s ASN 188 CO 0.42 -0.99 -0.05 -0.36 -3.04 0.00 0.00 177.10 173.08 1it7 s PHE 189 N 2.44 0.83 -0.09 0.43 0.40 -1.26 -4.90 117.98 115.82 1it7 s PHE 189 Ca 0.35 -0.96 0.13 0.00 -0.60 0.00 0.00 56.93 55.85 1it7 s PHE 189 Cb -0.04 -0.50 -0.19 0.00 0.51 0.00 0.00 43.02 42.80 1it7 s PHE 189 CO -0.07 -0.21 0.31 -0.85 0.70 0.00 0.00 175.22 175.10 1it7 n GLU 190 N -0.02 0.73 -4.14 0.44 0.00 -1.22 -5.01 120.64 111.42 1it7 n GLU 190 Ca -0.12 -0.10 -0.15 0.00 0.00 0.00 0.00 57.16 56.79 1it7 n GLU 190 Cb 0.61 -1.27 -0.13 0.00 0.00 0.00 0.00 31.44 30.65 1it7 n GLU 190 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1it7 s ILE 191 N -2.77 0.50 -0.46 3.84 1.01 -1.20 -3.82 121.20 118.30 1it7 s ILE 191 Ca -0.03 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.07 1it7 s ILE 191 Cb 0.08 -0.48 0.12 0.00 0.01 0.00 0.00 42.46 42.19 1it7 s ILE 191 CO 0.52 -0.07 0.20 -1.00 0.00 0.00 0.00 174.94 174.59 1it7 s HIS 192 N -0.63 3.04 0.82 3.97 3.76 0.11 -1.23 115.29 125.12 1it7 s HIS 192 Ca -0.02 -2.95 -0.11 0.00 -0.15 0.00 0.00 55.06 51.82 1it7 s HIS 192 Cb -0.05 -2.64 0.08 0.00 1.11 0.00 0.00 32.58 31.08 1it7 s HIS 192 CO 0.00 -0.80 1.09 -2.14 -0.85 0.00 0.00 174.74 172.04 1it7 s PRO 193 N 0.16 1.91 -0.22 8.40 0.02 -1.25 -2.07 135.00 141.95 1it7 s PRO 193 Ca 0.15 0.81 0.02 0.00 0.02 0.00 0.00 61.00 62.00 1it7 s PRO 193 Cb -0.24 -1.88 0.05 0.00 0.02 0.00 0.00 34.50 32.44 1it7 s PRO 193 CO -0.03 -1.78 -0.11 0.42 -0.33 0.00 0.00 177.00 175.16 1it7 s ILE 194 N -3.03 1.86 0.40 2.83 1.01 0.11 -0.65 121.20 123.74 1it7 s ILE 194 Ca 0.61 -1.23 0.04 0.00 0.00 0.00 0.00 60.65 60.08 1it7 s ILE 194 Cb -0.16 -1.93 0.04 0.00 0.01 0.00 0.00 42.46 40.42 1it7 s ILE 194 CO 0.55 0.13 0.33 0.61 0.00 0.00 0.00 174.94 176.56 1it7 n GLY 195 N 4.59 2.73 2.27 6.18 0.00 -0.65 -2.76 105.19 117.56 1it7 n GLY 195 Ca -0.15 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.61 1it7 n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1it7 n GLY 196 N 0.18 0.54 0.03 -0.02 0.00 -1.26 -4.79 105.19 99.87 1it7 n GLY 196 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1it7 n GLY 196 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1it7 n VAL 197 N -2.75 0.15 -0.16 1.61 0.24 -1.26 -4.29 118.33 111.88 1it7 n VAL 197 Ca 0.00 -0.22 -0.02 0.00 -2.04 0.00 0.00 64.34 62.05 1it7 n VAL 197 Cb 0.03 0.25 0.06 0.00 -1.47 0.00 0.00 33.84 32.72 1it7 n VAL 197 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1it7 h VAL 198 N 0.00 0.65 -0.24 3.34 2.07 -1.92 0.55 116.25 120.71 1it7 h VAL 198 Ca 0.00 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.49 1it7 h VAL 198 Cb 0.71 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1it7 h VAL 198 CO 0.00 0.03 0.16 -0.65 0.02 0.00 0.00 177.57 177.13 1it7 h PRO 199 N 0.15 0.21 -0.15 1.57 0.11 -1.98 -1.42 132.00 130.49 1it7 h PRO 199 Ca 0.25 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 66.15 1it7 h PRO 199 Cb 0.36 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 31.44 1it7 h PRO 199 CO -0.38 0.14 -0.68 -0.07 -0.21 0.00 0.00 178.00 176.80 1it7 h LEU 200 N 0.22 0.86 -0.45 2.35 3.38 -1.22 -3.03 115.31 117.42 1it7 h LEU 200 Ca 0.10 -0.62 -0.11 0.00 0.09 0.00 0.00 57.88 57.34 1it7 h LEU 200 Cb 0.13 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1it7 h LEU 200 CO -0.02 1.34 -0.15 -0.07 0.09 0.00 0.00 178.44 179.63 1it7 h LEU 201 N 0.44 0.92 -0.93 1.67 3.38 -0.68 0.60 115.31 120.71 1it7 h LEU 201 Ca -0.04 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1it7 h LEU 201 Cb 1.31 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1it7 h LEU 201 CO 0.14 1.08 0.00 -0.62 0.09 0.00 0.00 178.44 179.14 1it7 n GLU 202 N -4.22 0.17 -0.25 1.13 1.02 -0.58 -1.26 120.64 116.66 1it7 n GLU 202 Ca -0.00 0.49 0.07 0.00 -0.02 0.00 0.00 57.16 57.70 1it7 n GLU 202 Cb 0.41 -1.90 0.20 0.00 -0.02 0.00 0.00 31.44 30.13 1it7 n GLU 202 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1it7 n SER 203 N -2.24 3.26 -1.68 1.62 7.64 -0.97 -4.95 113.62 116.30 1it7 n SER 203 Ca 0.01 -2.08 -0.16 0.00 1.01 0.00 0.00 58.87 57.65 1it7 n SER 203 Cb 0.16 -0.31 -0.05 0.00 -1.01 0.00 0.00 64.21 63.00 1it7 n SER 203 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1it7 n TYR 204 N 0.69 -0.47 -1.88 1.43 0.53 -0.39 -4.84 117.16 112.23 1it7 n TYR 204 Ca 0.15 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.61 1it7 n TYR 204 Cb 0.51 -2.99 0.00 0.00 -1.03 0.00 0.00 39.34 35.84 1it7 n TYR 204 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 1it7 n ARG 205 N -2.25 3.01 0.14 -0.72 1.74 0.16 -4.66 116.66 114.08 1it7 n ARG 205 Ca -0.17 -2.81 -0.01 0.00 -0.77 0.00 0.00 57.85 54.10 1it7 n ARG 205 Cb 0.55 -3.22 0.17 0.00 -1.02 0.00 0.00 32.46 28.94 1it7 n ARG 205 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1it7 h PHE 206 N 5.99 0.00 -0.72 -1.55 -1.00 -1.79 -3.12 116.94 114.77 1it7 h PHE 206 Ca 0.53 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.29 1it7 h PHE 206 Cb 0.64 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.17 1it7 h PHE 206 CO 1.42 0.61 0.36 -0.09 -1.61 0.00 0.00 178.31 179.00 1it7 h ARG 207 N 0.00 1.02 -0.19 1.51 2.43 -1.83 -0.75 114.38 116.57 1it7 h ARG 207 Ca -0.01 -0.14 -0.07 0.00 -0.81 0.00 0.00 59.98 58.96 1it7 h ARG 207 Cb 1.12 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 1it7 h ARG 207 CO 0.08 0.78 -0.19 -0.44 -1.51 0.00 0.00 179.97 178.70 1it7 h ASP 208 N 0.99 0.32 -0.11 -3.80 3.32 -1.94 -2.13 116.42 113.08 1it7 h ASP 208 Ca 0.25 -0.09 -0.13 0.00 0.02 0.00 0.00 57.03 57.09 1it7 h ASP 208 Cb 0.09 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1it7 h ASP 208 CO -0.03 0.53 -0.35 0.58 -1.72 0.00 0.00 179.24 178.25 1it7 h VAL 209 N 0.31 1.29 -0.21 -1.35 2.07 -1.32 -1.62 116.25 115.42 1it7 h VAL 209 Ca 0.05 -1.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.08 1it7 h VAL 209 Cb 0.51 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1it7 h VAL 209 CO 0.03 0.48 0.10 0.58 0.02 0.00 0.00 177.57 178.78 1it7 h VAL 210 N 0.52 1.13 -0.84 2.57 2.07 -0.53 0.77 116.25 121.93 1it7 h VAL 210 Ca 0.05 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1it7 h VAL 210 Cb 0.85 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 1it7 h VAL 210 CO 0.07 0.13 0.43 0.44 0.02 0.00 0.00 177.57 178.66 1it7 h ASP 211 N 0.20 1.08 -0.28 0.57 3.32 -1.26 0.68 116.42 120.73 1it7 h ASP 211 Ca 0.07 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1it7 h ASP 211 Cb 0.12 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1it7 h ASP 211 CO -0.01 0.89 -0.14 0.40 -1.72 0.00 0.00 179.24 178.66 1it7 h ILE 212 N 1.19 1.30 0.01 0.35 2.04 -1.08 -2.23 117.51 119.08 1it7 h ILE 212 Ca 0.29 -1.23 -0.00 0.00 1.00 0.00 0.00 64.86 64.93 1it7 h ILE 212 Cb 0.08 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1it7 h ILE 212 CO -0.04 0.39 -0.00 0.58 0.00 0.00 0.00 178.15 179.07 1it7 h VAL 213 N 0.32 1.18 -0.54 1.67 2.07 -0.53 -2.15 116.25 118.27 1it7 h VAL 213 Ca 0.06 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1it7 h VAL 213 Cb 0.65 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 1it7 h VAL 213 CO 0.04 0.15 0.35 0.40 0.02 0.00 0.00 177.57 178.52 1it7 h ILE 214 N -0.25 1.14 -0.27 4.57 1.08 -0.91 0.35 117.51 123.22 1it7 h ILE 214 Ca -0.00 -0.28 -0.02 0.00 -0.39 0.00 0.00 64.86 64.17 1it7 h ILE 214 Cb 0.25 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 34.35 1it7 h ILE 214 CO 0.00 0.14 0.09 0.77 -0.69 0.00 0.00 178.15 178.46 1it7 h SER 215 N 0.73 0.34 -0.03 1.72 4.64 -1.40 0.87 113.55 120.41 1it7 h SER 215 Ca 0.20 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.40 1it7 h SER 215 Cb -0.07 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 61.94 1it7 h SER 215 CO -0.04 0.34 -0.30 0.28 -0.87 0.00 0.00 176.83 176.24 1it7 h SER 216 N 0.38 0.32 -0.07 4.97 0.02 -0.62 -3.24 113.55 115.31 1it7 h SER 216 Ca 0.09 -0.70 -0.03 0.00 -0.84 0.00 0.00 61.79 60.31 1it7 h SER 216 Cb 0.12 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1it7 h SER 216 CO -0.01 0.98 -0.02 0.11 -1.14 0.00 0.00 176.83 176.75 1it7 h LYS 217 N -0.31 0.24 -0.59 3.45 1.57 0.04 -1.98 116.57 119.00 1it7 h LYS 217 Ca -0.03 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1it7 h LYS 217 Cb 0.99 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.23 1it7 h LYS 217 CO 0.06 0.29 0.31 0.52 -0.57 0.00 0.00 179.45 180.06 1it7 h MET 218 N 0.24 0.81 -0.02 3.15 2.86 -0.86 -2.88 114.93 118.22 1it7 h MET 218 Ca 0.06 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1it7 h MET 218 Cb 0.20 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1it7 h MET 218 CO 0.01 0.61 -0.13 0.00 1.06 0.00 0.00 176.91 178.45 1it7 n ALA 219 N -2.45 2.78 -2.17 6.32 0.00 -0.85 -4.97 120.51 119.17 1it7 n ALA 219 Ca 0.05 -0.62 -0.31 0.00 0.00 0.00 0.00 53.44 52.56 1it7 n ALA 219 Cb 0.11 -0.88 -0.05 0.00 0.00 0.00 0.00 19.45 18.63 1it7 n ALA 219 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1it7 s LEU 220 N -2.15 3.96 -0.15 0.00 1.43 -0.80 -4.03 118.68 116.94 1it7 s LEU 220 Ca 0.27 1.20 -0.29 0.00 -1.03 0.00 0.00 54.13 54.27 1it7 s LEU 220 Cb 0.20 -4.03 -0.03 0.00 0.03 0.00 0.00 46.19 42.36 1it7 s LEU 220 CO 0.38 -0.29 1.45 -0.13 0.23 0.00 0.00 176.35 177.99 1it7 s ARG 221 N -3.38 4.11 0.55 1.70 0.52 -1.26 -4.89 118.95 116.30 1it7 s ARG 221 Ca 0.52 1.78 0.30 0.00 -0.52 0.00 0.00 55.73 57.82 1it7 s ARG 221 Cb -0.10 -3.89 1.47 0.00 0.52 0.00 0.00 34.95 32.94 1it7 s ARG 221 CO 0.24 -0.89 1.89 -1.35 0.02 0.00 0.00 175.30 175.21 1it7 h PRO 222 N 9.15 0.00 0.00 3.54 0.11 -1.95 -2.51 132.00 140.34 1it7 h PRO 222 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1it7 h PRO 222 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1it7 h PRO 222 CO 0.98 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.37 1it7 n ASP 223 N -4.09 0.00 -4.74 -2.05 5.75 -1.26 -4.79 116.55 105.37 1it7 n ASP 223 Ca 0.15 -0.00 -0.35 0.00 -0.01 0.00 0.00 54.79 54.58 1it7 n ASP 223 Cb 0.86 -0.30 -0.08 0.00 -1.03 0.00 0.00 41.12 40.56 1it7 n ASP 223 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1it7 s ARG 224 N -2.60 3.06 0.49 0.11 0.52 -0.95 -4.80 118.95 114.78 1it7 s ARG 224 Ca 0.21 -0.40 -0.23 0.00 -0.52 0.00 0.00 55.73 54.79 1it7 s ARG 224 Cb 0.15 -2.86 -0.07 0.00 0.52 0.00 0.00 34.95 32.70 1it7 s ARG 224 CO 0.35 0.70 1.33 -2.14 0.02 0.00 0.00 175.30 175.56 1it7 s PRO 225 N -1.15 3.49 -0.03 3.54 0.02 -1.25 -4.80 135.00 134.81 1it7 s PRO 225 Ca 0.16 2.19 0.04 0.00 0.02 0.00 0.00 61.00 63.41 1it7 s PRO 225 Cb -0.12 -2.44 -0.03 0.00 0.02 0.00 0.00 34.50 31.93 1it7 s PRO 225 CO 0.06 -0.90 -0.15 0.08 -0.33 0.00 0.00 177.00 175.76 1it7 s VAL 226 N -1.31 3.02 -0.10 3.83 1.01 -1.26 0.05 120.40 125.65 1it7 s VAL 226 Ca 0.66 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1it7 s VAL 226 Cb -0.39 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 33.81 1it7 s VAL 226 CO 0.48 0.55 -0.13 -2.28 0.00 0.00 0.00 175.10 173.72 1it7 s HIS 227 N -0.77 1.72 -0.84 5.22 5.04 -0.88 -1.19 115.29 123.59 1it7 s HIS 227 Ca 0.12 -0.77 -0.18 0.00 -1.54 0.00 0.00 55.06 52.69 1it7 s HIS 227 Cb -0.11 -1.28 0.14 0.00 0.04 0.00 0.00 32.58 31.38 1it7 s HIS 227 CO 0.01 -0.42 0.98 -1.17 -2.34 0.00 0.00 174.74 171.80 1it7 s LEU 228 N 1.04 5.43 -0.10 8.88 2.96 0.01 0.09 118.68 136.98 1it7 s LEU 228 Ca -0.07 -2.02 -0.36 0.00 -0.22 0.00 0.00 54.13 51.46 1it7 s LEU 228 Cb -0.15 -2.35 -0.13 0.00 0.50 0.00 0.00 46.19 44.07 1it7 s LEU 228 CO -0.01 -0.99 1.81 0.49 -1.32 0.00 0.00 176.35 176.33 1it7 n PHE 229 N 6.03 2.24 -0.47 5.38 0.99 -1.11 -1.94 117.46 128.59 1it7 n PHE 229 Ca 0.15 0.15 0.00 0.00 -0.00 0.00 0.00 57.45 57.75 1it7 n PHE 229 Cb 0.47 -2.60 0.00 0.00 -1.00 0.00 0.00 39.48 36.35 1it7 n PHE 229 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1it7 n GLY 230 N 4.23 1.00 3.53 1.37 0.00 -1.26 -4.37 105.19 109.69 1it7 n GLY 230 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1it7 n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1it7 s ALA 231 N -3.06 3.13 -0.48 4.61 0.00 -0.82 -4.74 121.76 120.40 1it7 s ALA 231 Ca 0.00 -2.64 0.09 0.00 0.00 0.00 0.00 51.96 49.40 1it7 s ALA 231 Cb 0.00 -4.41 0.23 0.00 0.00 0.00 0.00 23.12 18.95 1it7 s ALA 231 CO 0.00 -3.32 1.19 0.41 0.00 0.00 0.00 175.76 174.04 1it7 n GLY 232 N 5.94 3.15 3.53 0.00 0.00 -1.14 -3.80 105.19 112.87 1it7 n GLY 232 Ca 0.35 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 1it7 n GLY 232 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1it7 s HIS 233 N -1.36 3.09 0.63 1.61 5.04 -1.26 -4.67 115.29 118.37 1it7 s HIS 233 Ca 0.19 -0.21 0.23 0.00 -1.54 0.00 0.00 55.06 53.72 1it7 s HIS 233 Cb 0.12 -2.00 1.10 0.00 0.04 0.00 0.00 32.58 31.83 1it7 s HIS 233 CO 0.09 -0.00 1.59 -1.35 -2.34 0.00 0.00 174.74 172.73 1it7 h PRO 234 N 6.77 0.00 -0.35 2.88 0.11 -1.91 -2.50 132.00 137.00 1it7 h PRO 234 Ca -0.33 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.82 1it7 h PRO 234 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1it7 h PRO 234 CO 0.65 0.00 0.24 0.97 -0.21 0.00 0.00 178.00 179.64 1it7 h ILE 235 N 0.00 0.98 0.00 4.15 2.10 -1.76 -3.04 117.51 119.94 1it7 h ILE 235 Ca 0.17 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 66.01 1it7 h ILE 235 Cb 1.57 0.66 0.00 0.00 -1.09 0.00 0.00 36.82 37.97 1it7 h ILE 235 CO -0.00 0.05 -1.14 1.33 -1.08 0.00 0.00 178.15 177.31 1it7 n VAL 236 N -4.48 0.05 -0.06 2.19 0.24 -0.94 -4.70 118.33 110.62 1it7 n VAL 236 Ca 0.04 -0.15 -0.04 0.00 -2.04 0.00 0.00 64.34 62.14 1it7 n VAL 236 Cb 0.21 0.54 -0.03 0.00 -1.47 0.00 0.00 33.84 33.09 1it7 n VAL 236 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 1it7 h PHE 237 N 0.00 -0.51 -0.68 6.34 0.05 -1.68 0.23 116.94 120.69 1it7 h PHE 237 Ca 0.00 0.03 0.13 0.00 3.82 0.00 0.00 57.97 61.95 1it7 h PHE 237 Cb 0.65 0.24 -0.09 0.00 2.00 0.00 0.00 35.95 38.75 1it7 h PHE 237 CO 0.00 -0.14 0.21 0.00 -0.18 0.00 0.00 178.31 178.20 1it7 h ALA 238 N -0.86 0.88 0.89 2.45 0.00 -1.84 0.25 119.26 121.03 1it7 h ALA 238 Ca 0.03 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1it7 h ALA 238 Cb 0.16 0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1it7 h ALA 238 CO -0.19 -0.27 -0.43 1.25 0.00 0.00 0.00 179.25 179.61 1it7 h LEU 239 N 0.34 -1.01 -0.54 0.00 5.85 -1.73 -2.18 115.31 116.04 1it7 h LEU 239 Ca 0.37 0.03 0.09 0.00 0.84 0.00 0.00 57.88 59.21 1it7 h LEU 239 Cb 0.56 0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.78 1it7 h LEU 239 CO -0.41 -0.72 0.16 0.00 -0.34 0.00 0.00 178.44 177.12 1it7 h ALA 240 N -1.09 0.66 -0.64 1.25 0.00 -0.00 -0.98 119.26 118.46 1it7 h ALA 240 Ca -0.12 0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1it7 h ALA 240 Cb 0.92 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1it7 h ALA 240 CO 0.20 -0.26 0.42 0.28 0.00 0.00 0.00 179.25 179.89 1it7 h VAL 241 N 0.31 1.12 0.00 0.00 2.07 -0.49 0.15 116.25 119.41 1it7 h VAL 241 Ca 0.27 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1it7 h VAL 241 Cb 0.35 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1it7 h VAL 241 CO -0.32 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.42 1it7 h ALA 242 N 1.62 1.00 -0.03 1.67 0.00 -0.51 -0.31 119.26 122.70 1it7 h ALA 242 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1it7 h ALA 242 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1it7 h ALA 242 CO -0.06 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.86 1it7 n MET 243 N -2.95 1.92 -0.44 0.00 2.81 0.50 -2.38 117.12 116.58 1it7 n MET 243 Ca -0.01 -1.34 0.00 0.00 -1.81 0.00 0.00 57.70 54.54 1it7 n MET 243 Cb 0.17 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 1it7 n MET 243 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1it7 n GLY 244 N 1.24 0.99 3.67 3.03 0.00 -0.13 -4.87 105.19 109.11 1it7 n GLY 244 Ca 0.17 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 1it7 n GLY 244 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1it7 s VAL 245 N -2.00 5.02 -0.07 1.61 1.01 -1.02 -4.64 120.40 120.32 1it7 s VAL 245 Ca 0.00 1.22 0.21 0.00 0.00 0.00 0.00 61.98 63.42 1it7 s VAL 245 Cb 0.00 -3.96 -0.30 0.00 0.00 0.00 0.00 36.38 32.12 1it7 s VAL 245 CO 0.00 0.13 0.47 0.47 0.00 0.00 0.00 175.10 176.17 1it7 n ASP 246 N 4.88 0.07 -4.05 3.32 8.00 -0.60 -4.28 116.55 123.89 1it7 n ASP 246 Ca -0.01 0.03 -0.16 0.00 0.71 0.00 0.00 54.79 55.35 1it7 n ASP 246 Cb 0.50 1.74 -0.13 0.00 -0.02 0.00 0.00 41.12 43.21 1it7 n ASP 246 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1it7 s LEU 247 N -4.71 2.14 0.08 0.64 1.43 -0.33 -2.18 118.68 115.75 1it7 s LEU 247 Ca -0.08 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 1it7 s LEU 247 Cb 0.13 -0.33 -0.03 0.00 0.03 0.00 0.00 46.19 45.98 1it7 s LEU 247 CO 0.89 -0.04 -0.07 -0.36 0.23 0.00 0.00 176.35 177.00 1it7 s PHE 248 N -0.78 0.83 0.01 0.29 0.40 -0.72 -0.81 117.98 117.20 1it7 s PHE 248 Ca -0.02 -0.73 0.02 0.00 -0.60 0.00 0.00 56.93 55.60 1it7 s PHE 248 Cb -0.07 -0.48 -0.01 0.00 0.51 0.00 0.00 43.02 42.97 1it7 s PHE 248 CO 0.00 -0.11 -0.08 0.16 0.70 0.00 0.00 175.22 175.90 1it7 s ASP 249 N -2.44 0.91 -0.06 1.36 1.47 -1.25 0.22 116.67 116.89 1it7 s ASP 249 Ca 0.03 -0.24 0.01 0.00 1.18 0.00 0.00 52.55 53.54 1it7 s ASP 249 Cb -0.01 -0.07 0.02 0.00 -0.34 0.00 0.00 42.92 42.52 1it7 s ASP 249 CO -0.02 0.03 -0.07 -0.55 0.68 0.00 0.00 175.17 175.23 1it7 s SER 250 N -0.52 1.30 -0.02 2.11 0.15 -0.74 -2.89 113.70 113.09 1it7 s SER 250 Ca 0.00 -0.19 0.07 0.00 0.70 0.00 0.00 55.95 56.53 1it7 s SER 250 Cb -0.05 -0.59 -0.10 0.00 -1.71 0.00 0.00 66.02 63.57 1it7 s SER 250 CO 0.00 -0.03 0.13 0.00 1.20 0.00 0.00 173.24 174.54 1it7 n ALA 251 N 4.04 2.20 -0.34 5.45 0.00 -1.26 0.19 120.51 130.79 1it7 n ALA 251 Ca -0.23 -0.20 0.02 0.00 0.00 0.00 0.00 53.44 53.03 1it7 n ALA 251 Cb 0.51 -0.19 0.19 0.00 0.00 0.00 0.00 19.45 19.96 1it7 n ALA 251 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1it7 h SER 252 N 0.00 1.02 -1.03 0.00 0.02 -1.92 -1.52 113.55 110.12 1it7 h SER 252 Ca -0.02 -0.00 0.26 0.00 -0.84 0.00 0.00 61.79 61.18 1it7 h SER 252 Cb 0.46 -0.22 -0.10 0.00 0.14 0.00 0.00 62.40 62.68 1it7 h SER 252 CO 0.00 0.67 0.65 0.10 -1.14 0.00 0.00 176.83 177.12 1it7 h TYR 253 N 1.16 0.70 0.00 3.45 -0.00 -1.83 0.23 116.97 120.69 1it7 h TYR 253 Ca 0.40 0.02 -0.18 0.00 0.00 0.00 0.00 58.73 58.97 1it7 h TYR 253 Cb 0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 36.73 36.59 1it7 h TYR 253 CO -0.00 0.08 -1.06 0.00 -0.00 0.00 0.00 178.16 177.17 1it7 h ALA 254 N 1.63 0.20 -0.80 0.10 0.00 -1.75 -3.27 119.26 115.37 1it7 h ALA 254 Ca 0.59 -1.04 0.10 0.00 0.00 0.00 0.00 54.91 54.55 1it7 h ALA 254 Cb 1.42 0.67 -0.07 0.00 0.00 0.00 0.00 17.79 19.81 1it7 h ALA 254 CO -0.31 0.64 0.44 -0.07 0.00 0.00 0.00 179.25 179.96 1it7 h LEU 255 N -1.00 0.62 -0.41 0.00 3.38 -0.93 -1.07 115.31 115.90 1it7 h LEU 255 Ca -0.27 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1it7 h LEU 255 Cb 1.13 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1it7 h LEU 255 CO -0.16 0.35 0.24 1.88 0.09 0.00 0.00 178.44 180.83 1it7 h TYR 256 N 0.74 0.55 -0.82 1.13 0.99 -0.75 -2.52 116.97 116.29 1it7 h TYR 256 Ca 0.39 -0.01 0.08 0.00 2.00 0.00 0.00 58.73 61.19 1it7 h TYR 256 Cb 0.38 -0.18 -0.07 0.00 1.00 0.00 0.00 36.73 37.86 1it7 h TYR 256 CO -0.07 0.41 0.49 0.00 -0.00 0.00 0.00 178.16 178.98 1it7 h ALA 257 N 1.09 1.15 -0.01 3.88 0.00 -1.29 0.11 119.26 124.19 1it7 h ALA 257 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1it7 h ALA 257 Cb 0.03 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1it7 h ALA 257 CO -0.03 0.17 0.17 0.87 0.00 0.00 0.00 179.25 180.43 1it7 h LYS 258 N 0.86 0.00 -0.24 0.00 1.57 -0.81 0.23 116.57 118.17 1it7 h LYS 258 Ca 0.38 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.06 1it7 h LYS 258 Cb 0.26 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.51 1it7 h LYS 258 CO -0.21 0.00 -0.12 -0.25 -0.57 0.00 0.00 179.45 178.30 1it7 n ASP 259 N -3.03 2.59 -4.01 0.86 8.00 0.25 -4.97 116.55 116.25 1it7 n ASP 259 Ca -0.02 -3.59 -0.29 0.00 0.71 0.00 0.00 54.79 51.60 1it7 n ASP 259 Cb 0.23 -0.58 -0.01 0.00 -0.02 0.00 0.00 41.12 40.74 1it7 n ASP 259 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1it7 n ASP 260 N -1.05 -2.21 -4.54 -2.24 8.00 0.81 -4.86 116.55 110.45 1it7 n ASP 260 Ca 0.27 -0.95 -0.34 0.00 0.71 0.00 0.00 54.79 54.48 1it7 n ASP 260 Cb 0.91 -3.21 -0.11 0.00 -0.02 0.00 0.00 41.12 38.69 1it7 n ASP 260 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1it7 s ARG 261 N -6.64 3.73 -0.26 -1.24 0.52 -0.34 -0.80 118.95 113.92 1it7 s ARG 261 Ca 0.37 -0.47 -0.06 0.00 -0.52 0.00 0.00 55.73 55.05 1it7 s ARG 261 Cb -0.19 -2.99 -0.00 0.00 0.52 0.00 0.00 34.95 32.28 1it7 s ARG 261 CO 0.88 0.27 0.04 -0.47 0.02 0.00 0.00 175.30 176.05 1it7 s TYR 262 N 0.30 3.08 0.56 -0.53 5.04 0.22 -3.81 117.35 122.21 1it7 s TYR 262 Ca -0.01 -0.85 -0.17 0.00 -2.44 0.00 0.00 57.07 53.60 1it7 s TYR 262 Cb -0.14 -2.20 -0.05 0.00 0.35 0.00 0.00 41.96 39.92 1it7 s TYR 262 CO 0.02 -0.52 1.04 -1.64 -1.34 0.00 0.00 175.55 173.11 1it7 s MET 263 N 1.52 3.52 -0.01 4.97 -1.94 -1.26 -0.83 119.30 125.26 1it7 s MET 263 Ca 0.04 1.21 -0.17 0.00 -1.71 0.00 0.00 55.69 55.06 1it7 s MET 263 Cb -0.16 -2.06 0.03 0.00 2.01 0.00 0.00 34.83 34.65 1it7 s MET 263 CO 0.01 -0.65 0.35 0.99 -0.01 0.00 0.00 175.02 175.71 1it7 s THR 264 N -2.37 0.05 0.64 2.05 2.01 0.30 -4.91 115.64 113.42 1it7 s THR 264 Ca 0.64 -0.44 0.37 0.00 0.31 0.00 0.00 61.69 62.58 1it7 s THR 264 Cb -0.15 -0.68 0.40 0.00 0.01 0.00 0.00 72.50 72.08 1it7 s THR 264 CO 0.32 -0.24 2.26 -0.65 -0.69 0.00 0.00 174.62 175.63 1it7 h PRO 265 N 3.72 0.00 -0.01 4.92 0.11 -1.92 -0.66 132.00 138.16 1it7 h PRO 265 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1it7 h PRO 265 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1it7 h PRO 265 CO 0.40 0.00 -0.62 0.39 -0.21 0.00 0.00 178.00 177.96 1it7 n GLU 266 N -3.35 0.59 0.00 1.05 4.71 -1.26 -3.94 120.64 118.45 1it7 n GLU 266 Ca -0.02 -0.46 0.00 0.00 -0.01 0.00 0.00 57.16 56.67 1it7 n GLU 266 Cb 0.14 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.08 1it7 n GLU 266 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1it7 n GLY 267 N 1.44 -0.34 3.06 0.62 0.00 -0.26 -4.71 105.19 105.01 1it7 n GLY 267 Ca 0.07 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 45.13 1it7 n GLY 267 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1it7 s THR 268 N -4.00 0.89 0.08 2.61 2.01 -1.26 -0.54 115.64 115.43 1it7 s THR 268 Ca 0.00 -0.48 0.08 0.00 0.31 0.00 0.00 61.69 61.60 1it7 s THR 268 Cb 0.00 -0.75 -0.03 0.00 0.01 0.00 0.00 72.50 71.73 1it7 s THR 268 CO 0.00 0.25 -0.21 -0.54 -0.69 0.00 0.00 174.62 173.43 1it7 s LYS 269 N -0.22 1.26 0.17 4.92 -0.14 -0.01 -4.95 119.74 120.76 1it7 s LYS 269 Ca 0.04 -1.07 -0.23 0.00 -1.36 0.00 0.00 55.97 53.35 1it7 s LYS 269 Cb -0.05 -1.46 -0.08 0.00 -1.68 0.00 0.00 37.83 34.56 1it7 s LYS 269 CO -0.00 0.36 0.73 1.03 -0.76 0.00 0.00 175.35 176.70 1it7 s ARG 270 N -1.58 4.41 0.11 1.68 0.52 -1.26 0.71 118.95 123.53 1it7 s ARG 270 Ca 0.07 1.00 -0.20 0.00 -0.52 0.00 0.00 55.73 56.08 1it7 s ARG 270 Cb -0.09 -3.14 -0.08 0.00 0.52 0.00 0.00 34.95 32.15 1it7 s ARG 270 CO 0.03 0.53 1.73 1.25 0.02 0.00 0.00 175.30 178.87 1it7 h LEU 271 N 4.09 0.21 0.00 2.53 5.85 -1.30 -1.93 115.31 124.75 1it7 h LEU 271 Ca -0.48 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1it7 h LEU 271 Cb 1.20 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1it7 h LEU 271 CO 0.65 0.19 0.00 -0.90 -0.34 0.00 0.00 178.44 178.05 1it7 n ASP 272 N -4.94 0.00 -0.14 1.25 5.68 -1.26 -0.75 116.55 116.39 1it7 n ASP 272 Ca -0.04 -0.14 0.02 0.00 -0.50 0.00 0.00 54.79 54.13 1it7 n ASP 272 Cb 0.05 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.05 1it7 n ASP 272 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1it7 n GLU 273 N -0.97 0.63 -3.42 0.11 0.00 -0.74 -5.01 120.64 111.24 1it7 n GLU 273 Ca 0.03 -1.01 -0.38 0.00 0.00 0.00 0.00 57.16 55.80 1it7 n GLU 273 Cb 0.01 -1.06 -0.08 0.00 0.00 0.00 0.00 31.44 30.31 1it7 n GLU 273 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1it7 s LEU 274 N -0.51 4.15 -0.16 4.31 1.43 0.07 -4.93 118.68 123.05 1it7 s LEU 274 Ca 0.04 0.48 0.19 0.00 -1.03 0.00 0.00 54.13 53.81 1it7 s LEU 274 Cb 0.03 -2.47 -0.27 0.00 0.03 0.00 0.00 46.19 43.51 1it7 s LEU 274 CO 0.04 -0.06 0.17 0.47 0.23 0.00 0.00 176.35 177.21 1it7 n ASP 275 N 4.42 0.01 -4.01 2.29 9.92 -1.26 -4.73 116.55 123.19 1it7 n ASP 275 Ca -0.09 0.01 -0.08 0.00 -0.53 0.00 0.00 54.79 54.09 1it7 n ASP 275 Cb 0.51 1.21 -0.10 0.00 -0.64 0.00 0.00 41.12 42.10 1it7 n ASP 275 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1it7 s TYR 276 N -2.73 0.35 -0.39 1.24 1.51 -1.26 -4.67 117.35 111.40 1it7 s TYR 276 Ca -0.09 -0.75 -0.17 0.00 -1.01 0.00 0.00 57.07 55.05 1it7 s TYR 276 Cb 0.08 -0.26 0.01 0.00 -0.11 0.00 0.00 41.96 41.68 1it7 s TYR 276 CO 0.85 -0.31 0.45 -0.06 -1.11 0.00 0.00 175.55 175.36 1it7 s PHE 277 N -2.75 3.17 -1.10 2.71 0.08 -1.26 -4.94 117.98 113.89 1it7 s PHE 277 Ca -0.04 -0.16 -0.08 0.00 0.12 0.00 0.00 56.93 56.78 1it7 s PHE 277 Cb -0.01 -2.87 -0.08 0.00 -0.57 0.00 0.00 43.02 39.50 1it7 s PHE 277 CO -0.06 -0.61 2.98 -0.35 -0.10 0.00 0.00 175.22 177.09 1it7 n PRO 278 N 5.62 3.40 -3.45 0.24 -0.04 -1.26 -4.81 135.00 134.70 1it7 n PRO 278 Ca -0.07 -2.20 -0.13 0.00 -0.04 0.00 0.00 63.50 61.06 1it7 n PRO 278 Cb 0.48 -2.53 -0.03 0.00 -0.04 0.00 0.00 33.50 31.38 1it7 n PRO 278 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1it7 n SER 280 N -0.09 2.00 -4.39 0.00 7.64 -1.26 -4.25 113.62 113.27 1it7 n SER 280 Ca -0.17 -1.83 -0.31 0.00 1.01 0.00 0.00 58.87 57.56 1it7 n SER 280 Cb 0.63 -0.04 0.20 0.00 -1.01 0.00 0.00 64.21 63.99 1it7 n SER 280 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1it7 h PRO 282 N -2.22 0.12 0.00 0.00 0.11 -1.98 0.23 132.00 128.25 1it7 h PRO 282 Ca -0.55 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.55 1it7 h PRO 282 Cb 1.33 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 1it7 h PRO 282 CO 0.42 0.08 -0.10 0.28 -0.21 0.00 0.00 178.00 178.47 1it7 h VAL 283 N 0.12 0.16 -0.32 3.15 2.07 -1.92 -3.31 116.25 116.20 1it7 h VAL 283 Ca 0.69 -1.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 1it7 h VAL 283 Cb 2.39 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 1it7 h VAL 283 CO -0.18 0.05 0.01 0.00 0.02 0.00 0.00 177.57 177.47 1it7 h SER 285 N 0.47 0.00 0.02 0.00 4.64 -1.08 -3.29 113.55 114.30 1it7 h SER 285 Ca 0.10 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 61.03 1it7 h SER 285 Cb 0.30 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.33 1it7 h SER 285 CO 0.01 0.00 -2.38 1.17 -0.87 0.00 0.00 176.83 174.76 1it7 n LYS 286 N -2.65 0.66 -4.09 4.77 4.81 -0.57 -5.03 118.16 116.06 1it7 n LYS 286 Ca 0.03 0.19 -0.25 0.00 -0.87 0.00 0.00 58.31 57.40 1it7 n LYS 286 Cb 0.34 -1.55 -0.06 0.00 0.02 0.00 0.00 35.03 33.78 1it7 n LYS 286 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1it7 s TYR 287 N -2.52 2.36 0.22 5.64 1.51 0.66 -5.10 117.35 120.12 1it7 s TYR 287 Ca -0.33 -0.66 0.10 0.00 -1.01 0.00 0.00 57.07 55.16 1it7 s TYR 287 Cb 0.09 -1.94 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 1it7 s TYR 287 CO 0.61 0.04 -0.10 -0.08 -1.11 0.00 0.00 175.55 174.91 1it7 s THR 288 N -2.65 3.09 0.21 -0.71 -1.32 -1.26 -4.67 115.64 108.34 1it7 s THR 288 Ca 0.37 -1.85 -0.10 0.00 -1.21 0.00 0.00 61.69 58.90 1it7 s THR 288 Cb 0.02 -2.57 0.18 0.00 -1.51 0.00 0.00 72.50 68.62 1it7 s THR 288 CO 0.21 -0.21 1.68 -0.65 -2.21 0.00 0.00 174.62 173.43 1it7 h PRO 289 N 2.60 0.16 -0.52 7.08 0.11 -1.86 -1.65 132.00 137.92 1it7 h PRO 289 Ca -0.45 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1it7 h PRO 289 Cb 1.22 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1it7 h PRO 289 CO 0.56 0.11 0.23 -0.56 -0.21 0.00 0.00 178.00 178.13 1it7 h GLN 290 N 0.17 0.76 -0.49 1.05 -0.00 -1.90 -1.51 115.11 113.19 1it7 h GLN 290 Ca 0.32 -0.12 0.10 0.00 -0.00 0.00 0.00 58.65 58.94 1it7 h GLN 290 Cb 0.51 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.48 27.83 1it7 h GLN 290 CO -0.48 0.65 0.34 0.93 -0.00 0.00 0.00 178.83 180.27 1it7 h GLU 291 N 0.70 0.24 -0.09 0.06 5.08 -1.78 -1.92 114.58 116.87 1it7 h GLU 291 Ca 0.18 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 1it7 h GLU 291 Cb 0.16 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1it7 h GLU 291 CO -0.02 0.16 -0.20 1.25 -1.00 0.00 0.00 179.01 179.20 1it7 h LEU 292 N 0.25 0.34 -2.65 1.33 7.12 -0.47 -3.25 115.31 117.97 1it7 h LEU 292 Ca 0.23 -0.57 0.00 0.00 0.13 0.00 0.00 57.88 57.66 1it7 h LEU 292 Cb 0.57 -0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 40.60 1it7 h LEU 292 CO -0.05 0.85 0.00 0.03 -0.13 0.00 0.00 178.44 179.15 1it7 h ARG 293 N -0.16 0.00 0.00 1.25 3.08 -0.50 -2.05 114.38 116.00 1it7 h ARG 293 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1it7 h ARG 293 Cb 0.80 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 1it7 h ARG 293 CO 0.04 0.00 -0.57 0.93 -1.07 0.00 0.00 179.97 179.30 1it7 h GLU 294 N 0.00 0.00 -7.29 0.04 5.08 -1.54 -3.47 114.58 107.40 1it7 h GLU 294 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 1it7 h GLU 294 Cb 0.00 0.00 0.17 0.00 0.50 0.00 0.00 28.75 29.42 1it7 h GLU 294 CO -0.00 0.17 0.25 -1.64 -1.00 0.00 0.00 179.01 176.79 1it7 s MET 295 N -3.14 1.37 0.71 2.33 -1.94 -0.77 -4.97 119.30 112.89 1it7 s MET 295 Ca 0.03 1.25 -0.14 0.00 -1.71 0.00 0.00 55.69 55.12 1it7 s MET 295 Cb 0.07 -1.79 0.03 0.00 2.01 0.00 0.00 34.83 35.15 1it7 s MET 295 CO 0.74 -2.29 1.14 -2.14 -0.01 0.00 0.00 175.02 172.46 1it7 s PRO 296 N -4.77 2.39 0.27 2.03 0.02 -1.26 -4.73 135.00 128.95 1it7 s PRO 296 Ca 0.64 1.50 -0.00 0.00 0.02 0.00 0.00 61.00 63.16 1it7 s PRO 296 Cb -0.20 -1.89 0.58 0.00 0.02 0.00 0.00 34.50 33.01 1it7 s PRO 296 CO 0.58 -1.59 1.73 -0.22 -0.33 0.00 0.00 177.00 177.17 1it7 h LYS 297 N -0.34 0.50 -0.67 5.54 3.11 -1.95 -0.58 116.57 122.17 1it7 h LYS 297 Ca -0.46 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.34 1it7 h LYS 297 Cb 1.26 -0.11 -0.03 0.00 -1.00 0.00 0.00 32.23 32.35 1it7 h LYS 297 CO 0.51 0.33 0.40 1.49 -2.81 0.00 0.00 179.45 179.37 1it7 h GLU 298 N 0.51 0.92 -0.26 1.90 4.81 -1.99 0.17 114.58 120.64 1it7 h GLU 298 Ca 0.48 -0.09 -0.18 0.00 -0.13 0.00 0.00 59.36 59.44 1it7 h GLU 298 Cb 0.78 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 1it7 h GLU 298 CO -0.42 0.66 -0.57 1.49 -0.73 0.00 0.00 179.01 179.44 1it7 h GLU 299 N 0.92 0.81 0.03 1.92 4.81 -1.70 -1.94 114.58 119.43 1it7 h GLU 299 Ca 0.24 -0.52 0.01 0.00 -0.13 0.00 0.00 59.36 58.96 1it7 h GLU 299 Cb -0.02 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1it7 h GLU 299 CO -0.04 1.15 -0.07 -0.09 -0.73 0.00 0.00 179.01 179.23 1it7 h ARG 300 N 0.62 -0.13 -0.90 1.92 2.43 -0.79 -0.79 114.38 116.74 1it7 h ARG 300 Ca 0.01 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1it7 h ARG 300 Cb 1.16 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.68 1it7 h ARG 300 CO 0.12 -0.09 0.57 1.15 -1.51 0.00 0.00 179.97 180.22 1it7 h THR 301 N -0.13 1.09 0.30 0.20 2.02 -0.61 -0.58 112.91 115.19 1it7 h THR 301 Ca 0.02 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 1it7 h THR 301 Cb 0.15 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 1it7 h THR 301 CO -0.05 0.19 -0.15 0.03 0.37 0.00 0.00 175.52 175.92 1it7 h ARG 302 N 1.06 -0.39 -0.78 6.66 2.47 -0.91 -0.90 114.38 121.59 1it7 h ARG 302 Ca 0.38 0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 59.13 1it7 h ARG 302 Cb 0.11 0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.49 1it7 h ARG 302 CO -0.15 -0.10 0.49 -0.07 0.56 0.00 0.00 179.97 180.69 1it7 h LEU 303 N -0.70 0.92 -0.28 3.04 3.38 -1.01 -0.83 115.31 119.84 1it7 h LEU 303 Ca -0.04 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1it7 h LEU 303 Cb 0.48 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1it7 h LEU 303 CO 0.07 0.69 -0.13 -0.07 0.09 0.00 0.00 178.44 179.09 1it7 h LEU 304 N 1.07 0.60 -0.60 1.67 3.38 -1.10 -1.01 115.31 119.31 1it7 h LEU 304 Ca 0.28 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 57.89 1it7 h LEU 304 Cb -0.07 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 1it7 h LEU 304 CO -0.06 0.87 0.33 0.00 0.09 0.00 0.00 178.44 179.68 1it7 h ALA 305 N 0.74 0.78 -0.57 1.53 0.00 -0.66 0.36 119.26 121.45 1it7 h ALA 305 Ca 0.06 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1it7 h ALA 305 Cb 0.64 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1it7 h ALA 305 CO 0.04 0.01 0.25 -0.07 0.00 0.00 0.00 179.25 179.48 1it7 h LEU 306 N 0.63 0.77 -0.09 0.00 3.38 -1.04 -1.06 115.31 117.89 1it7 h LEU 306 Ca 0.26 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1it7 h LEU 306 Cb 0.13 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1it7 h LEU 306 CO -0.16 0.71 -0.05 -0.74 0.09 0.00 0.00 178.44 178.30 1it7 h HIS 307 N 0.77 -0.11 -0.84 1.13 -0.00 -0.34 -0.05 115.15 115.72 1it7 h HIS 307 Ca 0.19 0.01 0.10 0.00 -0.00 0.00 0.00 60.37 60.67 1it7 h HIS 307 Cb 0.17 0.06 -0.08 0.00 -0.00 0.00 0.00 27.41 27.56 1it7 h HIS 307 CO 0.00 -0.08 0.47 -0.91 -0.00 0.00 0.00 177.93 177.42 1it7 h ASN 308 N -0.04 0.66 -0.47 3.26 2.35 -0.60 0.11 115.58 120.85 1it7 h ASN 308 Ca 0.05 0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 1it7 h ASN 308 Cb 0.12 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1it7 h ASN 308 CO -0.12 0.37 0.16 -0.07 -1.65 0.00 0.00 177.43 176.12 1it7 h LEU 309 N 0.78 0.71 -0.84 1.61 3.38 -0.27 -0.98 115.31 119.70 1it7 h LEU 309 Ca 0.41 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 58.15 1it7 h LEU 309 Cb 0.41 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1it7 h LEU 309 CO -0.26 0.68 -0.51 -0.50 0.09 0.00 0.00 178.44 177.93 1it7 h TRP 310 N 0.76 0.22 -0.29 1.13 4.06 0.10 -0.39 115.95 121.54 1it7 h TRP 310 Ca 0.17 -0.07 -0.11 0.00 2.06 0.00 0.00 58.89 60.95 1it7 h TRP 310 Cb 0.22 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.33 1it7 h TRP 310 CO 0.01 0.65 -0.24 0.28 -3.56 0.00 0.00 178.44 175.59 1it7 h VAL 311 N 0.14 1.30 0.87 1.49 2.07 -0.55 0.25 116.25 121.82 1it7 h VAL 311 Ca 0.00 -1.39 -0.04 0.00 0.82 0.00 0.00 66.70 66.10 1it7 h VAL 311 Cb 0.95 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1it7 h VAL 311 CO 0.08 0.44 -0.46 0.40 0.02 0.00 0.00 177.57 178.05 1it7 h ILE 312 N 0.41 0.07 -0.97 4.57 2.04 -1.06 0.21 117.51 122.79 1it7 h ILE 312 Ca 0.05 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.08 1it7 h ILE 312 Cb 0.79 0.07 -0.10 0.00 -0.74 0.00 0.00 36.82 36.84 1it7 h ILE 312 CO 0.06 0.00 0.58 0.50 0.00 0.00 0.00 178.15 179.29 1it7 h LYS 313 N -1.22 0.76 -0.37 2.37 3.64 -1.06 -2.12 116.57 118.57 1it7 h LYS 313 Ca -0.12 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.10 1it7 h LYS 313 Cb 0.95 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1it7 h LYS 313 CO 0.17 0.50 -0.21 1.49 -2.27 0.00 0.00 179.45 179.14 1it7 h GLU 314 N 0.78 0.79 -0.71 1.90 4.81 -0.60 -2.44 114.58 119.12 1it7 h GLU 314 Ca 0.54 -0.36 -0.05 0.00 -0.13 0.00 0.00 59.36 59.36 1it7 h GLU 314 Cb 0.76 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 1it7 h GLU 314 CO -0.35 0.98 0.26 0.93 -0.73 0.00 0.00 179.01 180.10 1it7 h GLU 315 N 0.59 1.08 -0.20 1.92 4.39 -0.36 -0.44 114.58 121.56 1it7 h GLU 315 Ca 0.08 -0.21 0.02 0.00 0.34 0.00 0.00 59.36 59.58 1it7 h GLU 315 Cb 0.76 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 1it7 h GLU 315 CO 0.06 0.91 0.08 0.82 -1.16 0.00 0.00 179.01 179.72 1it7 h ILE 316 N 1.03 0.97 -0.28 3.13 1.08 -1.35 0.36 117.51 122.46 1it7 h ILE 316 Ca 0.23 -0.06 -0.03 0.00 -0.39 0.00 0.00 64.86 64.61 1it7 h ILE 316 Cb 0.25 0.77 -0.02 0.00 -3.07 0.00 0.00 36.82 34.75 1it7 h ILE 316 CO -0.01 0.03 0.05 0.11 -0.69 0.00 0.00 178.15 177.64 1it7 h LYS 317 N 0.19 0.40 -0.45 2.37 1.57 -1.14 0.62 116.57 120.12 1it7 h LYS 317 Ca 0.09 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 1it7 h LYS 317 Cb 0.04 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1it7 h LYS 317 CO -0.08 0.39 -0.09 -0.09 -0.57 0.00 0.00 179.45 179.01 1it7 h ARG 318 N 0.40 0.85 -0.52 3.15 2.43 0.28 -0.35 114.38 120.61 1it7 h ARG 318 Ca 0.09 -0.32 -0.08 0.00 -0.81 0.00 0.00 59.98 58.86 1it7 h ARG 318 Cb 0.18 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1it7 h ARG 318 CO -0.00 0.95 -0.00 0.28 -1.51 0.00 0.00 179.97 179.68 1it7 h VAL 319 N 0.68 1.26 -0.36 0.20 2.07 0.45 -1.89 116.25 118.67 1it7 h VAL 319 Ca 0.12 -1.10 -0.13 0.00 0.82 0.00 0.00 66.70 66.41 1it7 h VAL 319 Cb 0.62 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1it7 h VAL 319 CO 0.04 0.39 -0.28 0.11 0.02 0.00 0.00 177.57 177.85 1it7 h LYS 320 N 0.80 0.76 -0.54 1.57 1.57 -0.73 -1.92 116.57 118.07 1it7 h LYS 320 Ca 0.15 -0.33 -0.07 0.00 -1.87 0.00 0.00 60.65 58.52 1it7 h LYS 320 Cb 0.53 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 1it7 h LYS 320 CO 0.03 0.95 0.05 0.37 -0.57 0.00 0.00 179.45 180.27 1it7 h GLN 321 N 0.65 0.89 -0.40 3.15 5.75 -0.89 -1.67 115.11 122.59 1it7 h GLN 321 Ca 0.08 -0.23 -0.10 0.00 -0.15 0.00 0.00 58.65 58.24 1it7 h GLN 321 Cb 0.80 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.23 1it7 h GLN 321 CO 0.07 0.85 -0.18 0.00 -2.65 0.00 0.00 178.83 176.92 1it7 h ALA 322 N 1.22 0.94 -0.20 3.38 0.00 -1.14 -1.80 119.26 121.65 1it7 h ALA 322 Ca 0.17 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1it7 h ALA 322 Cb 0.43 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1it7 h ALA 322 CO 0.01 0.61 0.01 0.82 0.00 0.00 0.00 179.25 180.71 1it7 h ILE 323 N 0.67 1.25 -0.43 0.00 2.04 -1.04 0.41 117.51 120.40 1it7 h ILE 323 Ca 0.10 -0.84 0.05 0.00 1.00 0.00 0.00 64.86 65.17 1it7 h ILE 323 Cb 0.67 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1it7 h ILE 323 CO 0.05 0.26 0.29 0.50 0.00 0.00 0.00 178.15 179.24 1it7 h LYS 324 N 0.12 0.37 -0.00 2.37 1.63 -1.15 -1.31 116.57 118.60 1it7 h LYS 324 Ca 0.06 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1it7 h LYS 324 Cb 0.37 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1it7 h LYS 324 CO 0.01 0.24 -0.46 0.39 -3.45 0.00 0.00 179.45 176.18 1it7 n GLU 325 N -4.48 0.01 -2.08 1.90 1.02 -0.69 -4.94 120.64 111.38 1it7 n GLU 325 Ca 0.05 -0.01 -0.04 0.00 -0.02 0.00 0.00 57.16 57.15 1it7 n GLU 325 Cb 0.22 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.14 1it7 n GLU 325 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1it7 n GLY 326 N 1.50 0.22 0.36 0.62 0.00 0.17 -3.66 105.19 104.39 1it7 n GLY 326 Ca 0.06 -0.73 0.08 0.00 0.00 0.00 0.00 46.02 45.43 1it7 n GLY 326 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1it7 n GLU 327 N -1.36 1.36 -0.00 1.61 -0.58 0.12 -4.74 120.64 117.04 1it7 n GLU 327 Ca -0.04 -2.87 -0.10 0.00 -0.42 0.00 0.00 57.16 53.72 1it7 n GLU 327 Cb 0.53 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.86 1it7 n GLU 327 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1it7 h LEU 328 N 0.49 -0.10 -0.93 -4.62 6.46 -1.88 -2.40 115.31 112.32 1it7 h LEU 328 Ca -0.01 0.03 0.10 0.00 -0.12 0.00 0.00 57.88 57.89 1it7 h LEU 328 Cb 1.03 0.07 -0.08 0.00 -0.73 0.00 0.00 40.66 40.95 1it7 h LEU 328 CO 0.00 -0.04 0.57 -0.50 -0.62 0.00 0.00 178.44 177.86 1it7 h TRP 329 N -0.00 1.04 -0.32 1.25 -0.00 -1.93 0.11 115.95 116.10 1it7 h TRP 329 Ca 0.05 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.97 1it7 h TRP 329 Cb 0.08 -0.33 -0.02 0.00 -0.00 0.00 0.00 29.16 28.90 1it7 h TRP 329 CO -0.16 0.43 0.20 -0.09 -0.00 0.00 0.00 178.44 178.82 1it7 h ARG 330 N 0.94 0.42 0.03 0.49 1.12 -1.81 0.84 114.38 116.41 1it7 h ARG 330 Ca 0.45 -0.03 -0.21 0.00 -1.11 0.00 0.00 59.98 59.08 1it7 h ARG 330 Cb 0.39 -0.09 0.02 0.00 -0.01 0.00 0.00 29.97 30.28 1it7 h ARG 330 CO -0.25 0.29 -0.84 1.25 -3.11 0.00 0.00 179.97 177.31 1it7 h LEU 331 N 0.43 0.69 -0.56 3.80 5.85 -0.50 -2.15 115.31 122.87 1it7 h LEU 331 Ca 0.12 -0.78 0.05 0.00 0.84 0.00 0.00 57.88 58.11 1it7 h LEU 331 Cb -0.03 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 1it7 h LEU 331 CO -0.02 1.39 0.28 0.58 -0.34 0.00 0.00 178.44 180.32 1it7 h VAL 332 N 0.07 0.93 0.10 1.05 2.07 -0.27 0.28 116.25 120.49 1it7 h VAL 332 Ca -0.11 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1it7 h VAL 332 Cb 1.54 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1it7 h VAL 332 CO 0.16 0.10 -0.10 -0.78 0.02 0.00 0.00 177.57 176.97 1it7 h ASP 333 N 0.53 -0.26 -0.39 0.57 1.82 -0.86 0.62 116.42 118.46 1it7 h ASP 333 Ca 0.25 0.03 0.06 0.00 -0.39 0.00 0.00 57.03 56.98 1it7 h ASP 333 Cb 0.18 0.09 -0.06 0.00 0.68 0.00 0.00 39.33 40.22 1it7 h ASP 333 CO -0.18 -0.15 0.05 -0.08 -1.61 0.00 0.00 179.24 177.26 1it7 h GLU 334 N -0.22 0.16 -0.01 0.28 4.81 -0.68 -1.59 114.58 117.33 1it7 h GLU 334 Ca 0.00 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1it7 h GLU 334 Cb 0.21 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1it7 h GLU 334 CO -0.03 0.10 -0.31 0.00 -0.73 0.00 0.00 179.01 178.04 1it7 h ARG 335 N 0.16 0.02 -0.09 1.92 2.47 0.11 -2.74 114.38 116.24 1it7 h ARG 335 Ca 0.19 -0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.93 1it7 h ARG 335 Cb 0.24 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.56 1it7 h ARG 335 CO -0.27 0.34 0.19 0.00 0.56 0.00 0.00 179.97 180.78 1it7 h ALA 336 N 1.66 1.48 -0.06 0.04 0.00 0.13 -1.14 119.26 121.37 1it7 h ALA 336 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1it7 h ALA 336 Cb 0.57 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1it7 h ALA 336 CO 0.04 -0.24 0.00 0.54 0.00 0.00 0.00 179.25 179.59 1it7 n ARG 337 N -3.37 1.19 0.12 0.00 5.12 -1.03 -2.90 116.66 115.78 1it7 n ARG 337 Ca -0.00 -0.29 -0.02 0.00 -1.93 0.00 0.00 57.85 55.61 1it7 n ARG 337 Cb 0.28 -1.21 0.08 0.00 -1.16 0.00 0.00 32.46 30.45 1it7 n ARG 337 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 1it7 h SER 338 N 0.53 0.00 -4.63 0.55 0.02 -1.41 -3.47 113.55 105.15 1it7 h SER 338 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1it7 h SER 338 Cb 0.12 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 62.46 1it7 h SER 338 CO 0.00 0.70 0.12 -2.28 -1.14 0.00 0.00 176.83 174.23 1it7 s HIS 339 N -3.24 -0.66 0.33 3.45 5.65 -1.25 -4.92 115.29 114.66 1it7 s HIS 339 Ca 0.00 1.32 0.06 0.00 0.25 0.00 0.00 55.06 56.69 1it7 s HIS 339 Cb 0.11 0.33 0.71 0.00 -1.18 0.00 0.00 32.58 32.56 1it7 s HIS 339 CO 0.77 -0.50 1.88 -1.35 -0.65 0.00 0.00 174.74 174.89 1it7 h PRO 340 N 3.81 0.79 -0.04 2.88 0.11 -1.90 -0.52 132.00 137.12 1it7 h PRO 340 Ca -0.28 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.67 1it7 h PRO 340 Cb 1.15 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1it7 h PRO 340 CO 0.28 0.52 -0.50 0.87 -0.21 0.00 0.00 178.00 178.96 1it7 h LYS 341 N 0.81 0.11 -0.02 1.05 1.79 -1.93 -1.54 116.57 116.84 1it7 h LYS 341 Ca 0.43 -0.06 -0.23 0.00 -2.18 0.00 0.00 60.65 58.60 1it7 h LYS 341 Cb 0.53 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.19 1it7 h LYS 341 CO -0.19 0.59 -0.93 1.25 -1.08 0.00 0.00 179.45 179.08 1it7 h LEU 342 N 0.09 0.67 -0.65 2.94 6.46 -1.43 -2.60 115.31 120.79 1it7 h LEU 342 Ca 0.00 -0.52 -0.06 0.00 -0.12 0.00 0.00 57.88 57.18 1it7 h LEU 342 Cb 0.92 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.62 1it7 h LEU 342 CO 0.07 1.31 0.18 0.22 -0.62 0.00 0.00 178.44 179.60 1it7 h TYR 343 N 0.31 1.07 -0.79 1.25 3.20 -1.01 -0.15 116.97 120.84 1it7 h TYR 343 Ca -0.09 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 61.66 1it7 h TYR 343 Cb 1.57 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 39.50 1it7 h TYR 343 CO 0.07 0.88 0.46 1.03 -1.64 0.00 0.00 178.16 178.96 1it7 h SER 344 N 0.95 0.97 -0.30 -2.11 0.87 -1.26 -1.91 113.55 110.76 1it7 h SER 344 Ca 0.20 -0.08 -0.14 0.00 -1.23 0.00 0.00 61.79 60.55 1it7 h SER 344 Cb 0.33 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1it7 h SER 344 CO -0.00 0.77 -0.31 0.00 -0.53 0.00 0.00 176.83 176.75 1it7 h ALA 345 N 1.24 0.75 -0.37 6.23 0.00 -1.09 -1.99 119.26 124.02 1it7 h ALA 345 Ca 0.28 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1it7 h ALA 345 Cb -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1it7 h ALA 345 CO -0.05 0.66 0.15 -0.92 0.00 0.00 0.00 179.25 179.09 1it7 h TYR 346 N 0.69 0.56 -0.45 0.00 3.20 -0.68 0.59 116.97 120.88 1it7 h TYR 346 Ca 0.07 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.83 1it7 h TYR 346 Cb 0.86 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 1it7 h TYR 346 CO 0.05 0.51 -0.03 0.87 -1.64 0.00 0.00 178.16 177.91 1it7 h LYS 347 N 0.45 0.77 -0.41 1.82 1.57 -1.29 -2.50 116.57 116.98 1it7 h LYS 347 Ca 0.12 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 1it7 h LYS 347 Cb 0.18 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1it7 h LYS 347 CO -0.01 0.80 -0.00 -0.09 -0.57 0.00 0.00 179.45 179.57 1it7 h ARG 348 N 0.71 0.73 -0.93 3.15 9.65 -1.04 -2.75 114.38 123.90 1it7 h ARG 348 Ca 0.13 -0.23 0.10 0.00 -1.10 0.00 0.00 59.98 58.88 1it7 h ARG 348 Cb 0.48 -0.06 -0.07 0.00 -1.39 0.00 0.00 29.97 28.93 1it7 h ARG 348 CO 0.02 0.81 0.60 1.25 2.80 0.00 0.00 179.97 185.45 1it7 h LEU 349 N 0.56 0.86 -0.48 3.80 5.85 -0.58 0.10 115.31 125.41 1it7 h LEU 349 Ca 0.12 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1it7 h LEU 349 Cb 0.49 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1it7 h LEU 349 CO 0.02 0.50 0.00 0.18 -0.34 0.00 0.00 178.44 178.80 1it7 n LEU 350 N -4.54 0.65 0.19 2.25 4.77 -0.97 -2.19 117.00 117.16 1it7 n LEU 350 Ca 0.16 0.63 0.06 0.00 -0.03 0.00 0.00 56.01 56.83 1it7 n LEU 350 Cb 0.30 -0.51 0.31 0.00 -2.33 0.00 0.00 43.42 41.19 1it7 n LEU 350 CO 0.31 -0.44 0.67 -0.33 -1.33 0.00 0.00 177.39 176.26 1it7 h GLU 351 N 0.00 0.00 -2.63 3.23 5.08 -0.61 -3.30 114.58 116.35 1it7 h GLU 351 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 1it7 h GLU 351 Cb 0.45 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1it7 h GLU 351 CO 0.00 0.37 2.38 0.72 -1.00 0.00 0.00 179.01 181.48 1it7 n HIS 352 N -3.48 1.83 -0.09 4.33 8.25 -0.93 -4.69 115.22 120.43 1it7 n HIS 352 Ca 0.00 -2.60 -0.07 0.00 -0.26 0.00 0.00 57.72 54.79 1it7 n HIS 352 Cb 0.53 -2.09 0.00 0.00 1.12 0.00 0.00 29.99 29.55 1it7 n HIS 352 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1it7 h TYR 353 N 4.32 0.25 -0.28 4.41 3.20 -1.80 -2.75 116.97 124.31 1it7 h TYR 353 Ca 0.65 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.59 1it7 h TYR 353 Cb 0.60 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.76 1it7 h TYR 353 CO 1.79 0.12 -0.02 1.15 -1.64 0.00 0.00 178.16 179.56 1it7 h THR 354 N 0.29 0.77 0.03 1.81 2.02 -1.94 0.13 112.91 116.03 1it7 h THR 354 Ca 0.14 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 1it7 h THR 354 Cb 0.09 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1it7 h THR 354 CO -0.13 0.01 -0.01 0.15 0.37 0.00 0.00 175.52 175.91 1it7 h PHE 355 N 0.06 -0.04 -0.65 3.16 3.57 -1.95 -3.10 116.94 117.99 1it7 h PHE 355 Ca 0.14 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 1it7 h PHE 355 Cb 0.19 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 1it7 h PHE 355 CO -0.23 -0.01 0.15 -0.07 -2.23 0.00 0.00 178.31 175.92 1it7 h LEU 356 N -0.06 1.00 -1.66 0.59 3.38 -1.17 -3.06 115.31 114.33 1it7 h LEU 356 Ca -0.00 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1it7 h LEU 356 Cb 0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1it7 h LEU 356 CO 0.01 0.98 -0.08 -0.08 0.09 0.00 0.00 178.44 179.36 1it7 h GLU 357 N 0.97 0.12 -0.11 1.13 4.22 -0.75 -1.77 114.58 118.38 1it7 h GLU 357 Ca 0.20 -0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.58 1it7 h GLU 357 Cb 0.37 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1it7 h GLU 357 CO 0.00 0.20 -0.12 1.49 -2.18 0.00 0.00 179.01 178.40 1it7 h GLU 358 N 0.12 0.17 0.00 1.92 4.81 -1.45 -3.02 114.58 117.12 1it7 h GLU 358 Ca 0.03 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1it7 h GLU 358 Cb 0.22 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1it7 h GLU 358 CO 0.01 0.30 -1.04 1.19 -0.73 0.00 0.00 179.01 178.74 1it7 n PHE 359 N -4.31 0.00 -1.96 0.92 3.01 -0.98 -4.80 117.46 109.35 1it7 n PHE 359 Ca -0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.03 1it7 n PHE 359 Cb 0.24 -0.08 -0.03 0.00 -0.01 0.00 0.00 39.48 39.61 1it7 n PHE 359 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1it7 s GLU 360 N -2.82 4.19 0.77 -1.08 2.56 -0.71 -4.76 118.70 116.85 1it7 s GLU 360 Ca 0.04 2.27 -0.15 0.00 0.00 0.00 0.00 54.97 57.13 1it7 s GLU 360 Cb 0.13 -3.86 0.01 0.00 2.00 0.00 0.00 34.13 32.42 1it7 s GLU 360 CO 0.75 -0.81 0.82 -2.30 -0.56 0.00 0.00 175.26 173.17 1it7 n PRO 361 N 6.59 0.28 0.03 4.30 -0.02 -1.26 -4.55 135.00 140.37 1it7 n PRO 361 Ca 0.17 0.15 -0.10 0.00 -2.02 0.00 0.00 63.50 61.70 1it7 n PRO 361 Cb 0.42 -2.11 -0.13 0.00 -0.02 0.00 0.00 33.50 31.66 1it7 n PRO 361 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1it7 h ILE 362 N -0.59 1.29 -3.95 4.25 6.09 -1.69 -3.47 117.51 119.44 1it7 h ILE 362 Ca -0.46 -3.03 -0.28 0.00 -1.37 0.00 0.00 64.86 59.71 1it7 h ILE 362 Cb 1.32 2.68 -0.21 0.00 0.47 0.00 0.00 36.82 41.09 1it7 h ILE 362 CO 0.44 0.77 -0.74 0.28 -3.07 0.00 0.00 178.15 175.83 1it7 s THR 363 N -2.65 0.61 0.04 2.19 -1.32 -1.26 -4.93 115.64 108.32 1it7 s THR 363 Ca -0.03 -1.17 -0.01 0.00 -1.21 0.00 0.00 61.69 59.26 1it7 s THR 363 Cb 0.09 -0.74 -0.03 0.00 -1.51 0.00 0.00 72.50 70.30 1it7 s THR 363 CO 0.83 -0.41 -0.02 -0.54 -2.21 0.00 0.00 174.62 172.28 1it7 s LYS 364 N -1.78 0.50 0.01 7.08 1.02 -1.26 -5.03 119.74 120.28 1it7 s LYS 364 Ca -0.07 -0.94 -0.21 0.00 0.02 0.00 0.00 55.97 54.76 1it7 s LYS 364 Cb -0.09 0.18 -0.18 0.00 -0.52 0.00 0.00 37.83 37.22 1it7 s LYS 364 CO 0.00 -0.09 1.23 1.57 -0.92 0.00 0.00 175.35 177.14 1it7 h LYS 365 N 3.75 0.33 -7.04 1.68 2.10 -1.93 -3.45 116.57 112.00 1it7 h LYS 365 Ca -0.33 -0.23 -0.51 0.00 -2.00 0.00 0.00 60.65 57.58 1it7 h LYS 365 Cb 1.17 0.04 0.08 0.00 -0.90 0.00 0.00 32.23 32.62 1it7 h LYS 365 CO 0.55 0.84 0.48 -1.54 -2.00 0.00 0.00 179.45 177.79 1it7 s SER 366 N -6.27 5.80 0.47 7.07 1.04 -1.24 -5.03 113.70 115.53 1it7 s SER 366 Ca -0.14 2.34 -0.18 0.00 0.48 0.00 0.00 55.95 58.45 1it7 s SER 366 Cb 0.04 -2.60 -0.09 0.00 0.10 0.00 0.00 66.02 63.47 1it7 s SER 366 CO 0.76 -1.18 0.95 0.00 0.98 0.00 0.00 173.24 174.75 1it7 s ALA 367 N -1.58 3.09 -0.35 5.32 0.00 -1.26 -5.00 121.76 121.98 1it7 s ALA 367 Ca 0.69 0.23 -0.29 0.00 0.00 0.00 0.00 51.96 52.59 1it7 s ALA 367 Cb -0.29 -3.09 0.02 0.00 0.00 0.00 0.00 23.12 19.76 1it7 s ALA 367 CO 0.34 -0.07 1.15 -1.17 0.00 0.00 0.00 175.76 176.01 1it7 s LEU 368 N -3.70 3.85 -0.21 0.00 0.20 -1.26 -4.95 118.68 112.62 1it7 s LEU 368 Ca 0.59 0.95 -0.11 0.00 0.69 0.00 0.00 54.13 56.26 1it7 s LEU 368 Cb -0.10 -3.54 -0.05 0.00 -0.43 0.00 0.00 46.19 42.07 1it7 s LEU 368 CO 0.24 -1.02 0.18 -0.36 -0.29 0.00 0.00 176.35 175.10 1it7 s PHE 369 N 4.02 3.39 -0.80 5.38 2.99 -1.26 -1.11 117.98 130.59 1it7 s PHE 369 Ca 0.49 0.35 -0.18 0.00 0.00 0.00 0.00 56.93 57.59 1it7 s PHE 369 Cb -0.12 -2.24 0.13 0.00 0.00 0.00 0.00 43.02 40.80 1it7 s PHE 369 CO 0.21 0.20 0.95 0.21 -0.00 0.00 0.00 175.22 176.79 1it7 s LYS 370 N 0.62 3.42 0.00 0.44 2.47 -0.51 -4.78 119.74 121.39 1it7 s LYS 370 Ca 0.10 -1.67 0.10 0.00 -1.56 0.00 0.00 55.97 52.93 1it7 s LYS 370 Cb -0.12 -4.60 0.17 0.00 -1.46 0.00 0.00 37.83 31.82 1it7 s LYS 370 CO 0.01 -1.64 1.01 0.44 0.16 0.00 0.00 175.35 175.33 1it7 n ILE 371 N 5.29 0.49 -3.93 5.43 -5.35 -1.26 -4.62 119.36 115.41 1it7 n ILE 371 Ca 0.11 -0.75 -0.00 0.00 -0.27 0.00 0.00 62.75 61.85 1it7 n ILE 371 Cb 0.47 0.86 0.02 0.00 -1.74 0.00 0.00 39.64 39.24 1it7 n ILE 371 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1it7 n SER 372 N 0.47 -1.37 -0.02 7.28 3.41 -1.26 -4.97 113.62 117.15 1it7 n SER 372 Ca 0.08 -1.54 -0.16 0.00 -0.26 0.00 0.00 58.87 56.99 1it7 n SER 372 Cb 0.32 2.18 -0.10 0.00 -0.26 0.00 0.00 64.21 66.35 1it7 n SER 372 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1it7 h ASN 373 N 1.84 0.45 0.11 4.04 -1.24 -2.02 -3.09 115.58 115.68 1it7 h ASN 373 Ca -0.23 -0.68 -0.01 0.00 0.71 0.00 0.00 56.30 56.10 1it7 h ASN 373 Cb 1.10 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 40.02 1it7 h ASN 373 CO 0.31 1.06 -0.04 -0.33 -1.29 0.00 0.00 177.43 177.14 1it7 h GLU 374 N -0.12 0.00 -0.43 6.67 3.07 -2.00 -1.80 114.58 119.97 1it7 h GLU 374 Ca -0.03 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.93 1it7 h GLU 374 Cb 1.07 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.96 1it7 h GLU 374 CO 0.08 0.04 0.30 1.03 -1.40 0.00 0.00 179.01 179.06 1it7 h SER 375 N 0.00 0.10 1.18 1.42 0.87 -1.91 0.35 113.55 115.57 1it7 h SER 375 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1it7 h SER 375 Cb 0.11 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1it7 h SER 375 CO 0.01 0.06 -0.04 -0.07 -0.53 0.00 0.00 176.83 176.26 1it7 h LEU 376 N 0.12 0.00 -2.08 2.23 3.38 -1.46 -2.97 115.31 114.52 1it7 h LEU 376 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1it7 h LEU 376 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1it7 h LEU 376 CO -0.02 0.04 0.00 0.54 0.09 0.00 0.00 178.44 179.08 1it7 n ARG 377 N -3.13 2.33 -1.85 1.13 3.00 0.11 -4.51 116.66 113.74 1it7 n ARG 377 Ca 0.01 -2.04 -0.37 0.00 -0.01 0.00 0.00 57.85 55.43 1it7 n ARG 377 Cb 0.37 -1.46 0.04 0.00 0.00 0.00 0.00 32.46 31.41 1it7 n ARG 377 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1it7 s TRP 378 N -1.33 2.29 0.22 -1.55 0.51 -1.13 -4.76 118.94 113.19 1it7 s TRP 378 Ca 0.39 1.44 -0.13 0.00 -2.12 0.00 0.00 56.10 55.67 1it7 s TRP 378 Cb 0.21 -3.69 0.26 0.00 -0.81 0.00 0.00 33.47 29.44 1it7 s TRP 378 CO 0.28 -2.68 1.62 -1.35 -0.51 0.00 0.00 176.95 174.30 1it7 h PRO 379 N 1.16 -0.01 -0.61 4.98 0.11 -1.93 -0.53 132.00 135.17 1it7 h PRO 379 Ca -0.51 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.63 1it7 h PRO 379 Cb 1.31 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.38 1it7 h PRO 379 CO 0.56 -0.00 0.40 0.28 -0.21 0.00 0.00 178.00 179.03 1it7 h VAL 380 N -0.01 1.09 -0.10 3.15 2.07 -1.93 -0.88 116.25 119.64 1it7 h VAL 380 Ca 0.32 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.54 1it7 h VAL 380 Cb 0.49 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1it7 h VAL 380 CO -0.69 0.13 -0.14 0.58 0.02 0.00 0.00 177.57 177.48 1it7 h VAL 381 N 0.73 1.38 -0.36 2.57 2.07 -1.42 -1.65 116.25 119.56 1it7 h VAL 381 Ca 0.24 -1.35 -0.08 0.00 0.82 0.00 0.00 66.70 66.33 1it7 h VAL 381 Cb 0.07 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1it7 h VAL 381 CO -0.07 0.39 -0.10 0.03 0.02 0.00 0.00 177.57 177.84 1it7 h ARG 382 N -0.16 0.62 -0.27 1.57 3.08 -1.24 -0.94 114.38 117.05 1it7 h ARG 382 Ca 0.01 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 59.83 1it7 h ARG 382 Cb 0.68 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1it7 h ARG 382 CO 0.03 0.71 -0.03 -0.09 -1.07 0.00 0.00 179.97 179.52 1it7 h ARG 383 N 0.57 0.49 -0.43 0.04 2.43 -1.16 -2.53 114.38 113.79 1it7 h ARG 383 Ca 0.10 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1it7 h ARG 383 Cb 0.51 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 1it7 h ARG 383 CO 0.03 0.68 0.21 0.00 -1.51 0.00 0.00 179.97 179.38 1it7 h ALA 384 N 0.79 0.56 0.10 2.80 0.00 -1.08 -1.86 119.26 120.57 1it7 h ALA 384 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1it7 h ALA 384 Cb 0.48 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1it7 h ALA 384 CO 0.02 0.12 -0.18 0.87 0.00 0.00 0.00 179.25 180.08 1it7 h LYS 385 N 0.56 -0.29 -0.56 0.00 1.57 -1.12 -1.23 116.57 115.51 1it7 h LYS 385 Ca 0.15 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.01 1it7 h LYS 385 Cb 0.12 0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.40 1it7 h LYS 385 CO -0.02 -0.19 -0.56 0.93 -0.57 0.00 0.00 179.45 179.04 1it7 h GLU 386 N -0.30 -0.28 -0.57 3.15 5.08 -1.42 -1.96 114.58 118.27 1it7 h GLU 386 Ca -0.01 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.46 1it7 h GLU 386 Cb 0.28 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.52 1it7 h GLU 386 CO -0.07 -0.19 0.17 0.00 -1.00 0.00 0.00 179.01 177.93 1it7 h ARG 387 N -0.29 0.32 0.00 2.33 3.08 -1.30 -2.20 114.38 116.32 1it7 h ARG 387 Ca 0.10 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1it7 h ARG 387 Cb 0.55 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 1it7 h ARG 387 CO -0.69 0.21 -0.13 0.00 -1.07 0.00 0.00 179.97 178.29 1it7 h ALA 388 N 1.42 1.32 -0.84 0.04 0.00 -0.49 -3.26 119.26 117.44 1it7 h ALA 388 Ca 0.29 -0.12 0.18 0.00 0.00 0.00 0.00 54.91 55.26 1it7 h ALA 388 Cb 0.38 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.00 1it7 h ALA 388 CO -0.33 0.17 -0.16 0.87 0.00 0.00 0.00 179.25 179.79 1it7 h LYS 389 N 0.00 0.01 -0.70 0.00 1.57 -0.80 0.11 116.57 116.76 1it7 h LYS 389 Ca -0.00 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1it7 h LYS 389 Cb 0.35 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1it7 h LYS 389 CO 0.02 0.01 0.15 0.66 -0.57 0.00 0.00 179.45 179.71 1it7 h SER 390 N 0.01 1.08 -0.71 0.86 4.64 -1.75 -2.04 113.55 115.64 1it7 h SER 390 Ca 0.42 -0.24 -0.05 0.00 -0.47 0.00 0.00 61.79 61.44 1it7 h SER 390 Cb 0.68 -0.29 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 1it7 h SER 390 CO -0.84 1.05 0.23 0.40 -0.87 0.00 0.00 176.83 176.80 1it7 h ILE 391 N 1.07 1.26 -0.03 0.95 5.03 -1.05 -2.03 117.51 122.71 1it7 h ILE 391 Ca 0.22 -0.88 -0.06 0.00 -0.12 0.00 0.00 64.86 64.02 1it7 h ILE 391 Cb 0.41 0.48 -0.01 0.00 -3.03 0.00 0.00 36.82 34.67 1it7 h ILE 391 CO 0.01 0.34 -0.27 0.78 -0.68 0.00 0.00 178.15 178.34 1it7 h ASN 392 N 1.04 0.04 0.28 1.72 2.35 -0.79 -2.11 115.58 118.11 1it7 h ASN 392 Ca 0.23 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.85 1it7 h ASN 392 Cb 0.29 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 1it7 h ASN 392 CO -0.01 0.31 -0.49 -0.08 -1.65 0.00 0.00 177.43 175.51 1it7 h GLU 393 N 0.04 0.25 0.00 0.81 4.57 -0.67 -3.17 114.58 116.40 1it7 h GLU 393 Ca 0.00 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1it7 h GLU 393 Cb 0.49 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1it7 h GLU 393 CO 0.04 0.69 0.00 -2.13 -1.18 0.00 0.00 179.01 176.42 1it7 n ARG 394 N -3.96 0.00 0.00 1.92 0.63 -0.93 -4.59 116.66 109.73 1it7 n ARG 394 Ca -0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 1it7 n ARG 394 Cb 0.54 -0.07 0.00 0.00 0.45 0.00 0.00 32.46 33.37 1it7 n ARG 394 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1it7 n PHE 395 N -0.95 0.00 0.00 -0.14 3.01 -0.83 -4.87 117.46 113.68 1it7 n PHE 395 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1it7 n PHE 395 Cb 0.00 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.28 1it7 n PHE 395 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1it7 n GLY 396 N -1.11 1.92 3.67 1.37 0.00 -1.20 -4.87 105.19 104.97 1it7 n GLY 396 Ca 0.00 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 1it7 n GLY 396 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1it7 n GLU 397 N 13.92 -4.66 -2.13 1.61 -0.58 -1.26 -4.03 120.64 123.50 1it7 n GLU 397 Ca 0.00 0.63 -0.43 0.00 -0.42 0.00 0.00 57.16 56.94 1it7 n GLU 397 Cb 0.00 -5.17 -0.02 0.00 -0.57 0.00 0.00 31.44 25.67 1it7 n GLU 397 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1it7 s LEU 398 N -6.60 3.84 0.21 -4.62 1.43 -1.26 -0.46 118.68 111.22 1it7 s LEU 398 Ca 0.04 1.52 0.05 0.00 -1.03 0.00 0.00 54.13 54.72 1it7 s LEU 398 Cb -0.01 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 1it7 s LEU 398 CO 0.81 -1.30 0.23 0.54 0.23 0.00 0.00 176.35 176.86 1it7 s VAL 399 N 5.33 4.78 0.36 -1.59 0.11 -0.09 -4.82 120.40 124.47 1it7 s VAL 399 Ca 0.71 -1.11 -0.26 0.00 -2.93 0.00 0.00 61.98 58.38 1it7 s VAL 399 Cb -0.24 -3.53 -0.09 0.00 -1.53 0.00 0.00 36.38 30.99 1it7 s VAL 399 CO 0.29 -0.24 1.12 -1.61 -3.33 0.00 0.00 175.10 171.33 1it7 s GLU 400 N -3.58 4.30 -0.03 1.54 2.02 -1.26 -1.33 118.70 120.35 1it7 s GLU 400 Ca 0.33 1.76 -0.01 0.00 0.02 0.00 0.00 54.97 57.07 1it7 s GLU 400 Cb -0.09 -2.83 0.03 0.00 0.10 0.00 0.00 34.13 31.34 1it7 s GLU 400 CO 0.26 -0.08 0.06 -1.58 0.02 0.00 0.00 175.26 173.94 1it7 s HIS 401 N -1.38 -0.03 0.28 1.61 2.46 0.45 -4.88 115.29 113.81 1it7 s HIS 401 Ca 0.53 0.23 0.02 0.00 0.47 0.00 0.00 55.06 56.31 1it7 s HIS 401 Cb -0.29 -0.19 0.62 0.00 -0.13 0.00 0.00 32.58 32.59 1it7 s HIS 401 CO 0.37 -0.11 1.79 -1.35 -2.47 0.00 0.00 174.74 172.97 1it7 h PRO 402 N 7.24 0.75 0.04 2.88 0.11 -1.88 0.52 132.00 141.65 1it7 h PRO 402 Ca -0.44 -0.05 -0.38 0.00 0.11 0.00 0.00 66.00 65.24 1it7 h PRO 402 Cb 1.13 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 32.02 1it7 h PRO 402 CO 0.46 0.50 -2.22 -0.89 -0.21 0.00 0.00 178.00 175.64 1it7 n ILE 403 N -4.77 1.59 0.62 4.15 5.41 -1.26 -4.45 119.36 120.64 1it7 n ILE 403 Ca 0.20 -0.50 0.12 0.00 1.00 0.00 0.00 62.75 63.57 1it7 n ILE 403 Cb 0.47 -1.66 0.20 0.00 -0.71 0.00 0.00 39.64 37.94 1it7 n ILE 403 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1it7 n PHE 404 N -3.64 0.31 0.00 1.39 3.01 -1.24 -4.99 117.46 112.31 1it7 n PHE 404 Ca -0.42 -0.16 0.00 0.00 1.01 0.00 0.00 57.45 57.88 1it7 n PHE 404 Cb 0.95 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.42 1it7 n PHE 404 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1it7 n GLY 405 N 1.43 1.17 3.06 1.37 0.00 0.18 -4.70 105.19 107.70 1it7 n GLY 405 Ca 0.18 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 1it7 n GLY 405 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1it7 s ARG 406 N 0.00 1.19 -0.24 1.61 3.03 -1.26 0.17 118.95 123.45 1it7 s ARG 406 Ca 0.00 -0.42 -0.22 0.00 2.03 0.00 0.00 55.73 57.11 1it7 s ARG 406 Cb 0.00 -1.10 0.06 0.00 -1.03 0.00 0.00 34.95 32.89 1it7 s ARG 406 CO 0.00 0.19 0.65 0.54 -1.13 0.00 0.00 175.30 175.55 1it7 s VAL 407 N 0.03 -0.00 0.26 4.99 0.11 -0.45 -4.91 120.40 120.43 1it7 s VAL 407 Ca -0.01 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.74 1it7 s VAL 407 Cb -0.08 -0.90 -0.14 0.00 -1.53 0.00 0.00 36.38 33.72 1it7 s VAL 407 CO 0.01 0.00 1.17 -0.24 -3.33 0.00 0.00 175.10 172.70 1it7 n SER 408 N 2.76 1.82 0.32 3.54 2.88 -1.26 -0.92 113.62 122.76 1it7 n SER 408 Ca -0.14 1.17 0.19 0.00 -1.33 0.00 0.00 58.87 58.76 1it7 n SER 408 Cb 0.56 -1.33 1.08 0.00 -0.75 0.00 0.00 64.21 63.77 1it7 n SER 408 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 1it7 h ARG 409 N 2.85 0.00 0.00 -1.46 0.11 -0.90 -2.22 114.38 112.76 1it7 h ARG 409 Ca -0.42 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.66 1it7 h ARG 409 Cb 1.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.40 1it7 h ARG 409 CO 0.66 0.00 0.00 0.66 0.10 0.00 0.00 179.97 181.39 1it7 n TYR 410 N -3.42 0.36 0.52 4.08 4.02 -1.26 -2.11 117.16 119.35 1it7 n TYR 410 Ca -0.03 0.14 0.06 0.00 -0.01 0.00 0.00 57.90 58.06 1it7 n TYR 410 Cb 0.08 -0.73 -0.02 0.00 -0.02 0.00 0.00 39.34 38.65 1it7 n TYR 410 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1it7 n LEU 411 N -1.83 1.06 0.01 7.72 4.77 -0.84 -4.55 117.00 123.35 1it7 n LEU 411 Ca 0.03 -0.68 0.01 0.00 -0.03 0.00 0.00 56.01 55.34 1it7 n LEU 411 Cb 0.19 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.32 1it7 n LEU 411 CO 0.16 0.22 0.52 -1.54 -1.33 0.00 0.00 177.39 175.42 1it7 n SER 412 N -0.56 0.03 -0.00 -1.43 3.41 -0.90 -0.43 113.62 113.74 1it7 n SER 412 Ca 0.04 0.51 0.10 0.00 -0.26 0.00 0.00 58.87 59.26 1it7 n SER 412 Cb 0.22 -0.52 -0.12 0.00 -0.26 0.00 0.00 64.21 63.54 1it7 n SER 412 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1it7 n LEU 413 N -1.54 0.97 -4.66 1.04 4.77 -1.26 -3.60 117.00 112.73 1it7 n LEU 413 Ca 0.00 -0.48 -0.28 0.00 -0.03 0.00 0.00 56.01 55.22 1it7 n LEU 413 Cb 0.01 -0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1it7 n LEU 413 CO 0.01 0.24 -0.35 -0.89 -1.33 0.00 0.00 177.39 175.07 1it7 s THR 414 N -3.01 3.73 0.43 -5.08 2.01 0.43 -3.95 115.64 110.21 1it7 s THR 414 Ca 0.08 -1.30 -0.26 0.00 0.31 0.00 0.00 61.69 60.52 1it7 s THR 414 Cb 0.16 -2.83 -0.09 0.00 0.01 0.00 0.00 72.50 69.74 1it7 s THR 414 CO 0.87 -0.02 1.41 0.00 -0.69 0.00 0.00 174.62 176.18 1it7 n TYR 415 N 0.17 2.62 0.27 4.92 9.36 0.42 -1.54 117.16 133.38 1it7 n TYR 415 Ca -0.11 0.46 0.11 0.00 3.32 0.00 0.00 57.90 61.68 1it7 n TYR 415 Cb 0.54 -2.45 0.27 0.00 -0.63 0.00 0.00 39.34 37.06 1it7 n TYR 415 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1it7 n PRO 416 N -0.03 2.41 0.25 2.98 -0.04 -1.26 -4.92 135.00 134.39 1it7 n PRO 416 Ca 0.05 -2.16 -0.16 0.00 -0.04 0.00 0.00 63.50 61.19 1it7 n PRO 416 Cb 0.40 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 32.29 1it7 n PRO 416 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1it7 h PHE 417 N 3.90 -0.53 0.21 0.54 -1.00 -1.56 -3.10 116.94 115.40 1it7 h PHE 417 Ca 0.00 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.77 1it7 h PHE 417 Cb 0.87 0.18 -0.02 0.00 3.61 0.00 0.00 35.95 40.59 1it7 h PHE 417 CO 0.31 -0.33 -0.32 0.00 -1.61 0.00 0.00 178.31 176.37 1it7 h ALA 418 N 0.01 -0.93 0.00 2.45 0.00 -1.57 -3.17 119.26 116.05 1it7 h ALA 418 Ca -0.06 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1it7 h ALA 418 Cb 0.44 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1it7 h ALA 418 CO 0.10 -0.97 -0.29 1.96 0.00 0.00 0.00 179.25 180.04 1it7 h GLN 419 N -0.55 0.00 -3.73 0.00 7.50 -1.88 -3.47 115.11 112.98 1it7 h GLN 419 Ca -0.02 0.00 -0.40 0.00 0.50 0.00 0.00 58.65 58.72 1it7 h GLN 419 Cb 0.51 0.00 0.08 0.00 0.05 0.00 0.00 27.48 28.12 1it7 h GLN 419 CO -0.10 0.29 -0.45 0.45 -1.50 0.00 0.00 178.83 177.52 1it7 n SER 420 N -4.04 -1.26 -3.75 1.46 2.88 -1.17 -4.64 113.62 103.11 1it7 n SER 420 Ca -0.02 0.61 -0.13 0.00 -1.33 0.00 0.00 58.87 58.00 1it7 n SER 420 Cb 0.35 -0.57 -0.13 0.00 -0.75 0.00 0.00 64.21 63.11 1it7 n SER 420 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1it7 s GLU 421 N -0.62 0.20 0.00 -1.46 2.12 -0.27 -4.43 118.70 114.24 1it7 s GLU 421 Ca 0.38 0.44 0.00 0.00 0.36 0.00 0.00 54.97 56.16 1it7 s GLU 421 Cb -0.49 -0.07 0.00 0.00 0.26 0.00 0.00 34.13 33.83 1it7 s GLU 421 CO 0.37 -0.13 0.00 0.00 -0.54 0.00 0.00 175.26 174.96 1it7 n ALA 422 N 3.90 0.00 0.12 6.30 0.00 -1.26 -1.42 120.51 128.14 1it7 n ALA 422 Ca -0.22 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.39 1it7 n ALA 422 Cb 0.54 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.73 1it7 n ALA 422 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1it7 h GLU 423 N 0.00 0.00 -3.95 0.00 3.07 -1.96 -3.40 114.58 108.34 1it7 h GLU 423 Ca 0.00 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.57 1it7 h GLU 423 Cb 0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 28.75 27.62 1it7 h GLU 423 CO 0.00 0.00 -0.74 -0.51 -1.40 0.00 0.00 179.01 176.36 1it7 s ASP 424 N -6.08 0.31 0.71 1.42 1.01 -1.26 -5.15 116.67 107.63 1it7 s ASP 424 Ca -0.05 -0.04 -0.15 0.00 0.71 0.00 0.00 52.55 53.02 1it7 s ASP 424 Cb 0.17 -0.06 0.03 0.00 1.01 0.00 0.00 42.92 44.07 1it7 s ASP 424 CO 0.64 0.01 1.19 -1.81 0.21 0.00 0.00 175.17 175.41 1it7 s ASP 425 N 0.13 4.38 -0.18 0.27 1.01 -1.26 -4.84 116.67 116.18 1it7 s ASP 425 Ca -0.01 2.31 -0.06 0.00 0.71 0.00 0.00 52.55 55.51 1it7 s ASP 425 Cb -0.03 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 1it7 s ASP 425 CO -0.00 -2.14 0.02 0.12 0.21 0.00 0.00 175.17 173.38 1it7 s PHE 426 N -2.00 3.11 -0.16 4.23 5.36 -1.26 -4.95 117.98 122.31 1it7 s PHE 426 Ca 0.74 -0.22 -0.13 0.00 -0.96 0.00 0.00 56.93 56.36 1it7 s PHE 426 Cb -0.28 -2.06 -0.05 0.00 -0.34 0.00 0.00 43.02 40.29 1it7 s PHE 426 CO 0.44 -0.05 0.27 0.15 -1.46 0.00 0.00 175.22 174.57 1it7 s LYS 427 N 0.64 4.23 0.46 10.12 1.02 -1.26 -5.00 119.74 129.95 1it7 s LYS 427 Ca 0.01 0.06 -0.22 0.00 0.02 0.00 0.00 55.97 55.84 1it7 s LYS 427 Cb -0.14 -3.42 -0.08 0.00 -0.52 0.00 0.00 37.83 33.67 1it7 s LYS 427 CO 0.02 0.26 1.07 0.42 -0.92 0.00 0.00 175.35 176.20 1it7 s ILE 428 N 0.40 3.59 -0.44 2.17 1.01 -1.26 -5.03 121.20 121.63 1it7 s ILE 428 Ca 0.16 1.09 -0.12 0.00 0.00 0.00 0.00 60.65 61.78 1it7 s ILE 428 Cb -0.13 -3.50 0.08 0.00 0.01 0.00 0.00 42.46 38.92 1it7 s ILE 428 CO 0.03 -0.12 0.32 -1.61 0.00 0.00 0.00 174.94 173.56 1it7 s GLU 429 N -2.92 2.74 0.30 2.79 8.01 -1.26 -5.08 118.70 123.28 1it7 s GLU 429 Ca 0.64 -1.44 -0.29 0.00 0.01 0.00 0.00 54.97 53.89 1it7 s GLU 429 Cb -0.21 -3.92 -0.09 0.00 -4.31 0.00 0.00 34.13 25.59 1it7 s GLU 429 CO 0.25 -1.00 1.10 0.15 0.01 0.00 0.00 175.26 175.77 1it7 s LYS 430 N 1.50 4.55 0.80 1.61 1.02 -1.26 -4.81 119.74 123.14 1it7 s LYS 430 Ca 0.03 1.78 -0.11 0.00 0.02 0.00 0.00 55.97 57.69 1it7 s LYS 430 Cb -0.24 -3.08 0.07 0.00 -0.52 0.00 0.00 37.83 34.07 1it7 s LYS 430 CO 0.04 0.13 1.09 -2.14 -0.92 0.00 0.00 175.35 173.55 1it7 s PRO 431 N -1.63 2.01 0.16 -1.68 0.02 -1.24 -5.07 135.00 127.56 1it7 s PRO 431 Ca 0.47 1.12 0.05 0.00 0.02 0.00 0.00 61.00 62.65 1it7 s PRO 431 Cb -0.31 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.30 1it7 s PRO 431 CO 0.39 -1.80 0.14 0.95 -0.33 0.00 0.00 177.00 176.35 1it7 s THR 432 N -2.90 4.51 -0.58 0.99 -4.23 -1.26 -4.91 115.64 107.26 1it7 s THR 432 Ca 0.62 -1.05 0.04 0.00 -1.18 0.00 0.00 61.69 60.11 1it7 s THR 432 Cb -0.18 -3.30 0.04 0.00 1.34 0.00 0.00 72.50 70.41 1it7 s THR 432 CO 0.56 -0.10 1.00 0.29 -0.54 0.00 0.00 174.62 175.84 1it7 n LYS 433 N -0.31 0.03 -0.10 3.99 5.02 -1.26 -0.74 118.16 124.79 1it7 n LYS 433 Ca -0.08 0.42 -0.13 0.00 -2.02 0.00 0.00 58.31 56.50 1it7 n LYS 433 Cb 0.54 -1.73 -0.14 0.00 -0.02 0.00 0.00 35.03 33.68 1it7 n LYS 433 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1it7 n GLU 434 N -1.55 0.68 0.19 1.97 4.71 -1.26 -4.29 120.64 121.09 1it7 n GLU 434 Ca -0.00 0.08 0.10 0.00 -0.01 0.00 0.00 57.16 57.33 1it7 n GLU 434 Cb 0.15 -1.55 0.12 0.00 -1.01 0.00 0.00 31.44 29.15 1it7 n GLU 434 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1it7 h ASP 435 N 0.00 0.00 -0.73 1.62 3.32 -1.41 -3.38 116.42 115.84 1it7 h ASP 435 Ca -0.53 0.00 0.10 0.00 0.02 0.00 0.00 57.03 56.62 1it7 h ASP 435 Cb 2.11 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 41.55 1it7 h ASP 435 CO 0.00 0.08 -0.34 0.00 -1.72 0.00 0.00 179.24 177.26 1it7 n ALA 436 N -2.13 -0.23 -0.12 3.45 0.00 0.08 -0.02 120.51 121.54 1it7 n ALA 436 Ca 0.03 0.69 -0.07 0.00 0.00 0.00 0.00 53.44 54.09 1it7 n ALA 436 Cb 0.57 -0.25 0.01 0.00 0.00 0.00 0.00 19.45 19.78 1it7 n ALA 436 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1it7 h ILE 437 N 0.00 1.05 -1.01 0.00 6.09 -1.86 -2.34 117.51 119.43 1it7 h ILE 437 Ca 0.21 -0.17 0.25 0.00 -1.37 0.00 0.00 64.86 63.78 1it7 h ILE 437 Cb 0.39 0.53 -0.09 0.00 0.47 0.00 0.00 36.82 38.12 1it7 h ILE 437 CO -0.72 0.09 0.65 0.11 -3.07 0.00 0.00 178.15 175.22 1it7 h LYS 438 N 0.48 0.40 0.14 2.19 1.57 -0.70 -0.88 116.57 119.79 1it7 h LYS 438 Ca 0.16 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1it7 h LYS 438 Cb -0.01 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1it7 h LYS 438 CO -0.07 0.27 -0.07 1.88 -0.57 0.00 0.00 179.45 180.89 1it7 h TYR 439 N 0.42 -0.18 -0.74 -1.35 -1.99 -1.07 -0.37 116.97 111.70 1it7 h TYR 439 Ca 0.57 -0.00 0.10 0.00 2.00 0.00 0.00 58.73 61.40 1it7 h TYR 439 Cb 1.41 0.06 -0.05 0.00 2.00 0.00 0.00 36.73 40.15 1it7 h TYR 439 CO -0.00 0.15 0.49 0.28 -0.00 0.00 0.00 178.16 179.08 1it7 h VAL 440 N -0.53 0.91 -0.03 -2.88 2.07 -1.11 0.61 116.25 115.29 1it7 h VAL 440 Ca -0.02 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 1it7 h VAL 440 Cb 0.41 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1it7 h VAL 440 CO 0.03 0.11 -0.29 0.24 0.02 0.00 0.00 177.57 177.69 1it7 h MET 441 N 0.60 0.25 -0.69 1.57 2.86 -1.10 -1.90 114.93 116.52 1it7 h MET 441 Ca 0.35 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1it7 h MET 441 Cb 0.53 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 1it7 h MET 441 CO -0.12 0.91 0.44 0.00 1.06 0.00 0.00 176.91 179.19 1it7 h ALA 442 N 0.34 0.88 -0.03 6.32 0.00 -0.54 -0.51 119.26 125.73 1it7 h ALA 442 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1it7 h ALA 442 Cb 0.98 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1it7 h ALA 442 CO 0.06 0.32 0.02 0.82 0.00 0.00 0.00 179.25 180.47 1it7 h ILE 443 N 0.94 1.02 -0.23 0.00 2.04 -0.95 -0.55 117.51 119.77 1it7 h ILE 443 Ca 0.25 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 66.11 1it7 h ILE 443 Cb -0.08 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 1it7 h ILE 443 CO -0.05 0.02 -0.09 0.00 0.00 0.00 0.00 178.15 178.03 1it7 h ALA 444 N 0.99 0.12 -0.92 1.87 0.00 -0.91 1.01 119.26 121.42 1it7 h ALA 444 Ca 0.01 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1it7 h ALA 444 Cb 0.01 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1it7 h ALA 444 CO -0.00 -0.50 0.59 1.49 0.00 0.00 0.00 179.25 180.83 1it7 h GLU 445 N -0.04 1.08 -0.19 0.00 4.57 -0.90 0.42 114.58 119.51 1it7 h GLU 445 Ca 0.12 -0.06 -0.18 0.00 -1.18 0.00 0.00 59.36 58.05 1it7 h GLU 445 Cb 0.22 -0.24 0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1it7 h GLU 445 CO -0.27 0.71 -0.60 -0.92 -1.18 0.00 0.00 179.01 176.76 1it7 h TYR 446 N 1.11 0.98 0.12 0.92 3.20 -0.07 -1.53 116.97 121.69 1it7 h TYR 446 Ca 0.38 -0.39 -0.29 0.00 3.14 0.00 0.00 58.73 61.57 1it7 h TYR 446 Cb 0.09 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.19 1it7 h TYR 446 CO -0.02 1.21 -1.41 0.37 -1.64 0.00 0.00 178.16 176.67 1it7 h GLN 447 N 0.47 0.25 -0.01 1.82 4.15 0.14 -3.38 115.11 118.56 1it7 h GLN 447 Ca -0.02 -0.43 0.00 0.00 0.77 0.00 0.00 58.65 58.97 1it7 h GLN 447 Cb 1.22 0.16 0.00 0.00 0.21 0.00 0.00 27.48 29.07 1it7 h GLN 447 CO 0.13 1.15 -0.20 1.19 -1.93 0.00 0.00 178.83 179.16 1it7 n PHE 448 N -3.48 0.00 0.00 3.99 0.99 0.15 -4.98 117.46 114.12 1it7 n PHE 448 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.32 1it7 n PHE 448 Cb 1.04 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.52 1it7 n PHE 448 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1it7 n GLY 449 N 0.94 0.46 3.57 1.37 0.00 -0.58 -4.80 105.19 106.15 1it7 n GLY 449 Ca 0.06 -1.89 -0.46 0.00 0.00 0.00 0.00 46.02 43.73 1it7 n GLY 449 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1it7 n GLU 450 N 0.75 1.18 0.00 1.61 4.07 -1.25 -2.37 120.64 124.63 1it7 n GLU 450 Ca 0.00 0.42 0.00 0.00 -0.06 0.00 0.00 57.16 57.52 1it7 n GLU 450 Cb 0.00 -1.80 0.00 0.00 -0.06 0.00 0.00 31.44 29.58 1it7 n GLU 450 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1it7 n GLY 451 N 1.54 2.77 0.46 8.31 0.00 -1.26 -4.89 105.19 112.12 1it7 n GLY 451 Ca 0.12 0.00 0.33 0.00 0.00 0.00 0.00 46.02 46.47 1it7 n GLY 451 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1it7 h ALA 452 N 0.00 2.62 -0.88 4.61 0.00 -1.77 -0.91 119.26 122.94 1it7 h ALA 452 Ca 0.00 0.09 0.19 0.00 0.00 0.00 0.00 54.91 55.19 1it7 h ALA 452 Cb 0.00 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1it7 h ALA 452 CO 0.00 -1.18 0.58 0.66 0.00 0.00 0.00 179.25 179.31 1it7 h SER 453 N 0.17 0.41 0.00 0.00 4.64 -1.83 -1.04 113.55 115.90 1it7 h SER 453 Ca 0.75 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 62.11 1it7 h SER 453 Cb 2.28 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 64.33 1it7 h SER 453 CO -0.36 0.17 0.09 0.54 -0.87 0.00 0.00 176.83 176.40 1it7 n ARG 454 N -4.51 0.00 0.00 4.77 1.74 -0.35 -0.14 116.66 118.18 1it7 n ARG 454 Ca 0.18 0.29 0.13 0.00 -0.77 0.00 0.00 57.85 57.68 1it7 n ARG 454 Cb 0.66 -1.59 0.28 0.00 -1.02 0.00 0.00 32.46 30.79 1it7 n ARG 454 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1it7 n ALA 455 N -1.26 2.82 -0.10 7.54 0.00 -0.39 -4.46 120.51 124.65 1it7 n ALA 455 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1it7 n ALA 455 Cb 0.09 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1it7 n ALA 455 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1it7 n PHE 456 N 0.31 0.00 -0.35 0.00 3.01 0.80 -4.90 117.46 116.33 1it7 n PHE 456 Ca 0.14 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.57 1it7 n PHE 456 Cb 0.44 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.93 1it7 n PHE 456 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1it7 h ASP 457 N 0.00 -1.49 -0.12 4.37 3.32 -1.73 -1.45 116.42 119.32 1it7 h ASP 457 Ca 0.00 0.30 -0.13 0.00 0.02 0.00 0.00 57.03 57.22 1it7 h ASP 457 Cb 0.05 0.75 -0.05 0.00 0.22 0.00 0.00 39.33 40.30 1it7 h ASP 457 CO 0.00 -0.29 -0.05 -0.90 -1.72 0.00 0.00 179.24 176.28 1it7 n ASP 458 N -5.44 5.52 -4.36 6.45 5.75 -1.26 -4.88 116.55 118.33 1it7 n ASP 458 Ca 0.08 -2.56 -0.20 0.00 -0.01 0.00 0.00 54.79 52.10 1it7 n ASP 458 Cb 0.38 -1.22 -0.10 0.00 -1.03 0.00 0.00 41.12 39.14 1it7 n ASP 458 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1it7 s ALA 459 N -0.00 2.15 -0.13 2.12 0.00 -0.55 -4.77 121.76 120.57 1it7 s ALA 459 Ca 0.29 -1.65 -0.02 0.00 0.00 0.00 0.00 51.96 50.57 1it7 s ALA 459 Cb 0.15 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 1it7 s ALA 459 CO -0.01 0.15 -0.05 0.15 0.00 0.00 0.00 175.76 176.00 1it7 s LYS 460 N -3.38 3.43 -0.33 0.00 1.02 -0.38 -4.91 119.74 115.19 1it7 s LYS 460 Ca 0.22 -0.53 -0.12 0.00 0.02 0.00 0.00 55.97 55.56 1it7 s LYS 460 Cb -0.03 -2.82 -0.02 0.00 -0.52 0.00 0.00 37.83 34.44 1it7 s LYS 460 CO 0.08 0.35 0.21 0.08 -0.92 0.00 0.00 175.35 175.16 1it7 s VAL 461 N 0.05 5.09 -0.40 3.17 1.01 -1.26 -2.23 120.40 125.83 1it7 s VAL 461 Ca -0.00 -0.26 -0.21 0.00 0.00 0.00 0.00 61.98 61.51 1it7 s VAL 461 Cb -0.14 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.66 1it7 s VAL 461 CO 0.03 0.02 0.64 -1.83 0.00 0.00 0.00 175.10 173.96 1it7 s GLU 462 N 1.69 3.48 0.62 2.72 -1.05 -0.98 -4.95 118.70 120.22 1it7 s GLU 462 Ca 0.06 -0.16 -0.15 0.00 -0.15 0.00 0.00 54.97 54.56 1it7 s GLU 462 Cb -0.17 -3.88 -0.02 0.00 -0.44 0.00 0.00 34.13 29.61 1it7 s GLU 462 CO 0.09 -0.88 1.08 -0.51 0.95 0.00 0.00 175.26 175.99 1it7 s LEU 463 N 2.79 3.46 0.00 1.83 1.43 -1.26 -2.94 118.68 123.98 1it7 s LEU 463 Ca 0.24 1.88 0.00 0.00 -1.03 0.00 0.00 54.13 55.21 1it7 s LEU 463 Cb -0.14 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.54 1it7 s LEU 463 CO 0.17 -1.32 0.00 -1.54 0.23 0.00 0.00 176.35 173.89 1it7 n SER 464 N -2.16 0.00 -0.16 2.29 3.41 -0.28 -4.92 113.62 111.79 1it7 n SER 464 Ca 0.09 -0.91 0.29 0.00 -0.26 0.00 0.00 58.87 58.08 1it7 n SER 464 Cb 0.53 0.00 0.69 0.00 -0.26 0.00 0.00 64.21 65.17 1it7 n SER 464 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1it7 h LYS 465 N 0.00 0.00 -6.28 4.33 2.10 -1.98 -3.38 116.57 111.36 1it7 h LYS 465 Ca 0.00 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 58.07 1it7 h LYS 465 Cb 0.00 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 31.23 1it7 h LYS 465 CO 0.00 0.00 -0.65 0.95 -2.00 0.00 0.00 179.45 177.75 1it7 s THR 466 N -4.73 3.62 0.00 0.07 -4.23 -1.26 -4.98 115.64 104.14 1it7 s THR 466 Ca -0.04 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 1it7 s THR 466 Cb 0.19 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 71.15 1it7 s THR 466 CO 0.65 -0.25 0.34 0.61 -0.54 0.00 0.00 174.62 175.43 1it7 n GLY 467 N -0.54 0.82 3.73 3.99 0.00 -1.26 -4.77 105.19 107.16 1it7 n GLY 467 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 1it7 n GLY 467 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1it7 s MET 468 N 1.62 3.49 0.16 1.61 -1.94 -1.26 -3.69 119.30 119.28 1it7 s MET 468 Ca 0.00 -0.30 -0.30 0.00 -1.71 0.00 0.00 55.69 53.38 1it7 s MET 468 Cb 0.00 -3.07 -0.07 0.00 2.01 0.00 0.00 34.83 33.70 1it7 s MET 468 CO 0.00 0.57 1.06 -2.14 -0.01 0.00 0.00 175.02 174.50 1it7 s PRO 469 N -0.48 4.63 0.00 2.03 0.02 -1.26 -1.13 135.00 138.81 1it7 s PRO 469 Ca 0.10 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.75 1it7 s PRO 469 Cb -0.12 -3.31 0.00 0.00 0.02 0.00 0.00 34.50 31.09 1it7 s PRO 469 CO 0.02 0.12 0.00 0.54 -0.33 0.00 0.00 177.00 177.35 1it7 n ARG 470 N 2.52 0.00 -1.90 5.54 5.12 -1.15 -4.46 116.66 122.33 1it7 n ARG 470 Ca 0.03 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.53 1it7 n ARG 470 Cb 0.47 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.75 1it7 n ARG 470 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1it7 s GLN 471 N 1.67 4.20 -0.23 5.56 -0.21 -1.26 -1.18 119.66 128.22 1it7 s GLN 471 Ca 0.00 2.42 -0.06 0.00 0.02 0.00 0.00 55.36 57.74 1it7 s GLN 471 Cb 0.00 -3.10 -0.02 0.00 1.00 0.00 0.00 33.01 30.89 1it7 s GLN 471 CO 0.00 -0.57 0.02 0.08 -2.12 0.00 0.00 175.29 172.70 1it7 s VAL 472 N 0.54 3.93 0.17 1.09 1.01 0.18 -2.33 120.40 124.99 1it7 s VAL 472 Ca 0.66 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.38 1it7 s VAL 472 Cb -0.45 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 1it7 s VAL 472 CO 0.39 0.38 -0.10 -0.54 0.00 0.00 0.00 175.10 175.23 1it7 s LYS 473 N 1.45 1.17 -0.11 2.72 1.02 -0.94 0.79 119.74 125.84 1it7 s LYS 473 Ca 0.05 -1.52 -0.04 0.00 0.02 0.00 0.00 55.97 54.48 1it7 s LYS 473 Cb -0.15 -0.76 0.05 0.00 -0.52 0.00 0.00 37.83 36.46 1it7 s LYS 473 CO 0.01 0.09 0.23 0.08 -0.92 0.00 0.00 175.35 174.83 1it7 s VAL 474 N -3.24 -0.28 0.00 3.17 1.01 0.36 -1.25 120.40 120.18 1it7 s VAL 474 Ca 0.20 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1it7 s VAL 474 Cb 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 36.02 1it7 s VAL 474 CO 0.03 0.11 0.00 0.59 0.00 0.00 0.00 175.10 175.83 1it7 n ASN 475 N 5.03 0.00 0.00 3.32 3.02 -1.26 -1.21 115.26 124.16 1it7 n ASN 475 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 1it7 n ASN 475 Cb 0.51 -1.03 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 1it7 n ASN 475 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1it7 n GLY 476 N -1.85 0.74 3.76 7.41 0.00 -1.26 -5.12 105.19 108.87 1it7 n GLY 476 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1it7 n GLY 476 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1it7 s LYS 477 N 0.00 3.91 -0.49 1.61 -2.85 -0.35 -5.05 119.74 116.52 1it7 s LYS 477 Ca 0.00 -0.21 -0.27 0.00 -1.00 0.00 0.00 55.97 54.49 1it7 s LYS 477 Cb 0.00 -3.31 0.03 0.00 -2.06 0.00 0.00 37.83 32.49 1it7 s LYS 477 CO 0.00 0.45 1.03 0.50 0.10 0.00 0.00 175.35 177.44 1it7 s ARG 478 N -0.09 3.58 0.01 1.78 3.00 -1.26 -0.49 118.95 125.47 1it7 s ARG 478 Ca 0.10 0.28 -0.13 0.00 -1.00 0.00 0.00 55.73 54.98 1it7 s ARG 478 Cb -0.11 -3.94 -0.07 0.00 0.00 0.00 0.00 34.95 30.82 1it7 s ARG 478 CO 0.00 -1.35 0.92 -0.07 0.00 0.00 0.00 175.30 174.80 1it7 h LEU 479 N 10.99 -0.39 0.00 -0.88 3.38 0.04 -3.42 115.31 125.02 1it7 h LEU 479 Ca -0.24 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.62 1it7 h LEU 479 Cb 1.07 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 1it7 h LEU 479 CO 1.09 -0.22 -0.08 0.00 0.09 0.00 0.00 178.44 179.32 1it7 n ALA 480 N -2.32 -0.02 -3.67 1.53 0.00 -1.16 0.60 120.51 115.47 1it7 n ALA 480 Ca -0.06 -0.61 -0.13 0.00 0.00 0.00 0.00 53.44 52.64 1it7 n ALA 480 Cb 0.18 0.50 -0.13 0.00 0.00 0.00 0.00 19.45 20.00 1it7 n ALA 480 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1it7 s THR 481 N -2.54 -0.37 -0.02 0.00 2.01 -0.66 0.50 115.64 114.54 1it7 s THR 481 Ca 0.11 0.25 -0.30 0.00 0.31 0.00 0.00 61.69 62.07 1it7 s THR 481 Cb -0.00 -0.46 -0.07 0.00 0.01 0.00 0.00 72.50 71.98 1it7 s THR 481 CO 0.08 0.10 1.74 -0.69 -0.69 0.00 0.00 174.62 175.17 1it7 s VAL 482 N 2.25 3.40 0.51 3.82 1.01 -0.33 -1.95 120.40 129.11 1it7 s VAL 482 Ca -0.01 0.50 -0.22 0.00 0.00 0.00 0.00 61.98 62.26 1it7 s VAL 482 Cb -0.12 -3.32 -0.06 0.00 0.00 0.00 0.00 36.38 32.88 1it7 s VAL 482 CO -0.09 -0.04 1.21 -0.13 0.00 0.00 0.00 175.10 176.05 1it7 s ARG 483 N 4.08 3.43 0.10 2.72 0.52 -0.20 -4.54 118.95 125.07 1it7 s ARG 483 Ca 0.78 1.87 -0.10 0.00 -0.52 0.00 0.00 55.73 57.76 1it7 s ARG 483 Cb -0.36 -2.24 -0.16 0.00 0.52 0.00 0.00 34.95 32.71 1it7 s ARG 483 CO 0.33 -0.85 1.26 0.00 0.02 0.00 0.00 175.30 176.06 1it7 h ALA 484 N 1.61 0.26 -0.00 2.13 0.00 -1.91 -2.06 119.26 119.29 1it7 h ALA 484 Ca -0.50 -0.67 -0.00 0.00 0.00 0.00 0.00 54.91 53.74 1it7 h ALA 484 Cb 1.27 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1it7 h ALA 484 CO 0.58 0.73 -0.00 0.38 0.00 0.00 0.00 179.25 180.94 1it7 h ASP 485 N 0.38 0.01 -0.01 0.00 2.03 -1.97 -3.38 116.42 113.48 1it7 h ASP 485 Ca -0.09 -0.43 0.00 0.00 -0.73 0.00 0.00 57.03 55.78 1it7 h ASP 485 Cb 1.58 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.08 1it7 h ASP 485 CO 0.18 0.43 -0.16 -0.90 -1.03 0.00 0.00 179.24 177.76 1it7 n ASP 486 N -4.88 1.17 -1.01 4.15 3.85 -1.26 -4.91 116.55 113.66 1it7 n ASP 486 Ca -0.08 -1.08 -0.13 0.00 -0.71 0.00 0.00 54.79 52.78 1it7 n ASP 486 Cb 0.22 0.43 -0.06 0.00 -1.35 0.00 0.00 41.12 40.37 1it7 n ASP 486 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1it7 n GLY 487 N 0.81 1.40 3.77 6.12 0.00 -0.77 -0.44 105.19 116.07 1it7 n GLY 487 Ca 0.04 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 1it7 n GLY 487 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1it7 s LEU 488 N -3.00 3.79 0.14 0.99 1.43 -1.26 -4.50 118.68 116.27 1it7 s LEU 488 Ca 0.00 -0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 52.79 1it7 s LEU 488 Cb 0.00 -2.47 -0.07 0.00 0.03 0.00 0.00 46.19 43.68 1it7 s LEU 488 CO 0.00 0.18 1.08 -0.76 0.23 0.00 0.00 176.35 177.07 1it7 s LEU 489 N -2.37 4.47 -0.27 1.79 1.43 -1.26 -1.03 118.68 121.44 1it7 s LEU 489 Ca 0.29 2.00 -0.07 0.00 -1.03 0.00 0.00 54.13 55.32 1it7 s LEU 489 Cb -0.12 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.49 1it7 s LEU 489 CO 0.22 -0.22 0.08 -0.89 0.23 0.00 0.00 176.35 175.76 1it7 s THR 490 N 0.01 4.14 0.56 5.49 2.01 -0.82 -4.90 115.64 122.13 1it7 s THR 490 Ca 0.50 -0.44 -0.18 0.00 0.31 0.00 0.00 61.69 61.88 1it7 s THR 490 Cb -0.28 -3.04 -0.05 0.00 0.01 0.00 0.00 72.50 69.14 1it7 s THR 490 CO 0.33 0.20 1.07 -0.76 -0.69 0.00 0.00 174.62 174.77 1it7 s LEU 491 N 1.56 3.64 0.11 4.42 1.43 -1.26 -1.66 118.68 126.92 1it7 s LEU 491 Ca 0.05 1.95 0.09 0.00 -1.03 0.00 0.00 54.13 55.18 1it7 s LEU 491 Cb -0.16 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.47 1it7 s LEU 491 CO 0.03 -1.12 -0.19 -0.83 0.23 0.00 0.00 176.35 174.47 1it7 s GLY 492 N -2.31 1.67 0.34 -3.19 0.00 0.20 -4.91 107.32 99.12 1it7 s GLY 492 Ca 0.67 -1.34 0.20 0.00 0.00 0.00 0.00 44.72 44.25 1it7 s GLY 492 CO 0.30 -1.31 1.43 1.39 0.00 0.00 0.00 173.10 174.91 1it7 n ILE 493 N 0.91 -0.36 -0.10 0.90 2.08 -1.26 1.00 119.36 122.51 1it7 n ILE 493 Ca -0.16 1.81 -0.10 0.00 0.56 0.00 0.00 62.75 64.86 1it7 n ILE 493 Cb 0.53 -2.95 0.03 0.00 -0.75 0.00 0.00 39.64 36.50 1it7 n ILE 493 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1it7 h GLU 494 N 0.00 0.85 -0.51 0.38 4.57 -1.81 -1.44 114.58 116.62 1it7 h GLU 494 Ca 0.77 -0.39 -0.12 0.00 -1.18 0.00 0.00 59.36 58.43 1it7 h GLU 494 Cb 2.09 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 30.65 1it7 h GLU 494 CO -0.67 1.04 -0.16 0.78 -1.18 0.00 0.00 179.01 178.82 1it7 h GLY 495 N 0.90 1.08 0.44 1.92 0.00 0.65 -2.56 103.07 105.50 1it7 h GLY 495 Ca 0.08 -0.91 0.04 0.00 0.00 0.00 0.00 47.33 46.54 1it7 h GLY 495 CO 0.07 0.83 -0.17 0.00 0.00 0.00 0.00 176.54 177.28 1it7 h ALA 496 N 0.93 -0.10 -0.15 3.60 0.00 -0.76 -0.58 119.26 122.20 1it7 h ALA 496 Ca 0.13 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1it7 h ALA 496 Cb 0.73 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 1it7 h ALA 496 CO 0.06 -0.62 -0.23 0.87 0.00 0.00 0.00 179.25 179.32 1it7 h LYS 497 N -0.21 -0.28 -0.78 0.00 1.57 -1.10 0.12 116.57 115.89 1it7 h LYS 497 Ca 0.09 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1it7 h LYS 497 Cb 0.35 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.67 1it7 h LYS 497 CO -0.25 -0.18 0.49 0.00 -0.57 0.00 0.00 179.45 178.93 1it7 h ARG 498 N -0.29 0.89 -0.13 3.15 3.08 -1.10 -0.66 114.38 119.33 1it7 h ARG 498 Ca 0.11 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.02 1it7 h ARG 498 Cb 0.45 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1it7 h ARG 498 CO -0.32 0.59 -0.31 -0.07 -1.07 0.00 0.00 179.97 178.80 1it7 h LEU 499 N 0.92 0.26 -1.44 3.04 3.38 -0.56 -2.11 115.31 118.80 1it7 h LEU 499 Ca 0.33 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1it7 h LEU 499 Cb 0.08 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1it7 h LEU 499 CO -0.14 0.56 0.35 -0.74 0.09 0.00 0.00 178.44 178.56 1it7 h HIS 500 N 0.23 0.70 0.00 1.13 2.76 0.80 -0.09 115.15 120.68 1it7 h HIS 500 Ca 0.03 0.01 -0.20 0.00 -2.20 0.00 0.00 60.37 58.01 1it7 h HIS 500 Cb 0.66 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 29.36 1it7 h HIS 500 CO 0.01 0.45 -1.64 2.89 -1.30 0.00 0.00 177.93 178.34 1it7 n ARG 501 N -4.44 0.64 0.07 5.26 1.85 -1.00 -4.27 116.66 114.77 1it7 n ARG 501 Ca 0.05 0.16 -0.19 0.00 -1.00 0.00 0.00 57.85 56.88 1it7 n ARG 501 Cb 0.06 -1.74 -0.10 0.00 -1.05 0.00 0.00 32.46 29.63 1it7 n ARG 501 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1it7 h VAL 502 N 0.00 1.33 -3.20 8.89 2.07 -1.18 -3.44 116.25 120.71 1it7 h VAL 502 Ca -0.22 -2.43 -0.61 0.00 0.82 0.00 0.00 66.70 64.27 1it7 h VAL 502 Cb 1.68 2.52 -0.11 0.00 -1.52 0.00 0.00 31.29 33.87 1it7 h VAL 502 CO 0.04 0.74 -0.45 -0.76 0.02 0.00 0.00 177.57 177.16 1it7 s LEU 503 N -7.86 4.24 0.31 2.57 1.43 -0.06 -4.96 118.68 114.35 1it7 s LEU 503 Ca -0.08 0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 53.06 1it7 s LEU 503 Cb 0.07 -2.16 -0.10 0.00 0.03 0.00 0.00 46.19 44.03 1it7 s LEU 503 CO 0.91 0.19 1.36 -2.84 0.23 0.00 0.00 176.35 176.19 1it7 s PRO 504 N 0.21 4.31 0.54 1.29 0.02 -1.26 -4.77 135.00 135.34 1it7 s PRO 504 Ca 0.11 2.26 -0.21 0.00 0.02 0.00 0.00 61.00 63.18 1it7 s PRO 504 Cb -0.12 -3.08 -0.06 0.00 0.02 0.00 0.00 34.50 31.27 1it7 s PRO 504 CO 0.00 -0.28 1.17 0.98 -0.33 0.00 0.00 177.00 178.54 1it7 n TYR 505 N 1.25 1.65 0.42 6.54 9.36 -1.26 -1.36 117.16 133.76 1it7 n TYR 505 Ca 0.02 0.46 0.08 0.00 3.32 0.00 0.00 57.90 61.77 1it7 n TYR 505 Cb 0.41 -2.27 0.22 0.00 -0.63 0.00 0.00 39.34 37.07 1it7 n TYR 505 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1it7 n PRO 506 N -0.76 2.20 -1.68 2.98 -0.04 -1.26 -5.12 135.00 131.33 1it7 n PRO 506 Ca 0.11 -1.76 -0.63 0.00 -0.04 0.00 0.00 63.50 61.18 1it7 n PRO 506 Cb 0.44 -1.41 -0.09 0.00 -0.04 0.00 0.00 33.50 32.40 1it7 n PRO 506 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1it7 n ARG 507 N 0.89 0.23 -0.82 0.54 1.74 -0.46 -0.38 116.66 118.39 1it7 n ARG 507 Ca 0.16 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 1it7 n ARG 507 Cb 0.43 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 1it7 n ARG 507 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1it7 n MET 508 N 3.51 -0.50 -3.22 5.56 2.81 -1.26 -4.91 117.12 119.10 1it7 n MET 508 Ca 0.27 0.12 -0.36 0.00 -1.81 0.00 0.00 57.70 55.93 1it7 n MET 508 Cb 0.01 -3.93 -0.06 0.00 -0.71 0.00 0.00 33.22 28.54 1it7 n MET 508 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1it7 s ARG 509 N -0.86 4.13 -0.14 0.03 3.00 0.48 0.64 118.95 126.23 1it7 s ARG 509 Ca 0.00 0.69 -0.01 0.00 0.00 0.00 0.00 55.73 56.41 1it7 s ARG 509 Cb 0.00 -2.92 0.04 0.00 0.00 0.00 0.00 34.95 32.07 1it7 s ARG 509 CO 0.00 0.44 -0.03 0.54 0.00 0.00 0.00 175.30 176.25 1it7 s VAL 510 N -1.48 0.87 -0.25 3.52 0.11 -0.92 -0.24 120.40 122.00 1it7 s VAL 510 Ca 0.40 -0.42 -0.14 0.00 -2.93 0.00 0.00 61.98 58.90 1it7 s VAL 510 Cb -0.16 -1.06 -0.04 0.00 -1.53 0.00 0.00 36.38 33.59 1it7 s VAL 510 CO 0.20 0.14 0.30 -0.69 -3.33 0.00 0.00 175.10 171.73 1it7 s VAL 511 N 1.75 5.24 0.32 2.04 1.01 0.30 -1.20 120.40 129.86 1it7 s VAL 511 Ca 0.02 0.45 0.07 0.00 0.00 0.00 0.00 61.98 62.52 1it7 s VAL 511 Cb -0.14 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1it7 s VAL 511 CO -0.07 0.22 0.36 0.68 0.00 0.00 0.00 175.10 176.30 1it7 s VAL 512 N 1.70 3.99 1.24 2.92 -7.23 -0.69 -0.42 120.40 121.92 1it7 s VAL 512 Ca 0.13 -1.18 -0.15 0.00 -1.81 0.00 0.00 61.98 58.97 1it7 s VAL 512 Cb -0.15 -3.36 0.31 0.00 0.56 0.00 0.00 36.38 33.74 1it7 s VAL 512 CO 0.09 -0.20 0.95 0.59 -0.31 0.00 0.00 175.10 176.22 1it7 n ASN 513 N -1.47 -2.28 0.08 4.85 3.02 0.19 -4.35 115.26 115.30 1it7 n ASN 513 Ca -0.02 -0.31 -0.08 0.00 -0.03 0.00 0.00 54.58 54.13 1it7 n ASN 513 Cb 0.59 -1.20 -0.09 0.00 -0.61 0.00 0.00 39.78 38.47 1it7 n ASN 513 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1it7 h LYS 514 N -2.89 0.08 0.00 3.52 6.56 -2.00 -2.31 116.57 119.54 1it7 h LYS 514 Ca -0.60 -0.12 -0.07 0.00 -1.06 0.00 0.00 60.65 58.80 1it7 h LYS 514 Cb 1.34 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 33.03 1it7 h LYS 514 CO 0.46 1.01 -0.34 1.49 -2.06 0.00 0.00 179.45 180.01 1it7 h GLU 515 N 0.03 0.00 0.00 3.15 4.81 -1.97 -3.09 114.58 117.51 1it7 h GLU 515 Ca -0.04 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.08 1it7 h GLU 515 Cb 1.73 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.09 1it7 h GLU 515 CO 0.14 0.34 -1.31 0.00 -0.73 0.00 0.00 179.01 177.45 1it7 n ALA 516 N -2.27 2.14 -0.31 2.92 0.00 -1.17 -4.40 120.51 117.42 1it7 n ALA 516 Ca -0.00 -0.45 0.16 0.00 0.00 0.00 0.00 53.44 53.15 1it7 n ALA 516 Cb 0.50 -0.99 0.34 0.00 0.00 0.00 0.00 19.45 19.29 1it7 n ALA 516 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1it7 h GLU 517 N 0.00 0.18 0.24 0.00 4.81 -1.33 -2.14 114.58 116.35 1it7 h GLU 517 Ca -0.11 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1it7 h GLU 517 Cb 1.39 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.73 1it7 h GLU 517 CO 0.03 0.12 -0.12 -1.35 -0.73 0.00 0.00 179.01 176.96 1it7 h PRO 518 N 0.19 -0.31 -0.02 0.92 0.11 -1.77 -1.68 132.00 129.44 1it7 h PRO 518 Ca 0.60 0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.76 1it7 h PRO 518 Cb 1.28 0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.43 1it7 h PRO 518 CO -0.69 -0.16 -0.12 0.74 -0.21 0.00 0.00 178.00 177.56 1it7 h PHE 519 N -0.39 -0.30 -0.47 0.65 -1.00 -1.69 0.20 116.94 113.94 1it7 h PHE 519 Ca -0.03 0.01 0.09 0.00 2.81 0.00 0.00 57.97 60.85 1it7 h PHE 519 Cb 0.30 0.14 -0.07 0.00 3.61 0.00 0.00 35.95 39.92 1it7 h PHE 519 CO -0.04 -0.18 0.03 0.00 -1.61 0.00 0.00 178.31 176.50 1it7 h ALA 520 N 0.80 0.47 -0.78 2.45 0.00 -1.41 0.55 119.26 121.34 1it7 h ALA 520 Ca 0.05 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1it7 h ALA 520 Cb 0.26 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1it7 h ALA 520 CO -0.14 -0.37 0.52 0.00 0.00 0.00 0.00 179.25 179.26 1it7 h ARG 521 N 0.14 1.02 0.00 0.00 3.08 -0.71 -1.27 114.38 116.64 1it7 h ARG 521 Ca 0.24 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.15 1it7 h ARG 521 Cb 0.35 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1it7 h ARG 521 CO -0.37 0.68 -0.37 -0.22 -1.07 0.00 0.00 179.97 178.62 1it7 h LYS 522 N 1.05 0.00 0.00 0.04 1.63 0.25 -2.66 116.57 116.89 1it7 h LYS 522 Ca 0.29 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.09 1it7 h LYS 522 Cb -0.12 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.51 1it7 h LYS 522 CO -0.06 0.37 0.00 0.41 -3.45 0.00 0.00 179.45 176.71 1it7 n GLY 523 N -0.19 1.62 3.67 5.01 0.00 0.16 -4.61 105.19 110.85 1it7 n GLY 523 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1it7 n GLY 523 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1it7 n LYS 524 N -0.10 0.00 -2.18 1.61 4.76 -0.58 -4.64 118.16 117.04 1it7 n LYS 524 Ca 0.00 0.08 -0.35 0.00 -2.87 0.00 0.00 58.31 55.17 1it7 n LYS 524 Cb 0.00 -2.40 0.01 0.00 -1.84 0.00 0.00 35.03 30.80 1it7 n LYS 524 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1it7 s ASP 525 N -2.24 5.64 -0.22 4.39 1.01 -1.26 -4.32 116.67 119.67 1it7 s ASP 525 Ca 0.71 2.13 -0.20 0.00 0.71 0.00 0.00 52.55 55.89 1it7 s ASP 525 Cb -0.27 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.06 1it7 s ASP 525 CO 0.53 -1.27 0.62 -0.69 0.21 0.00 0.00 175.17 174.57 1it7 s VAL 526 N -1.90 5.01 0.14 -1.27 1.01 -0.64 -4.87 120.40 117.88 1it7 s VAL 526 Ca 0.71 1.15 -0.12 0.00 0.00 0.00 0.00 61.98 63.73 1it7 s VAL 526 Cb -0.23 -3.93 -0.07 0.00 0.00 0.00 0.00 36.38 32.15 1it7 s VAL 526 CO 0.29 0.08 0.50 -0.36 0.00 0.00 0.00 175.10 175.61 1it7 s PHE 527 N 2.14 3.56 0.16 5.22 0.40 -1.26 -0.21 117.98 127.98 1it7 s PHE 527 Ca 0.27 0.93 -0.22 0.00 -0.60 0.00 0.00 56.93 57.31 1it7 s PHE 527 Cb -0.16 -2.27 0.04 0.00 0.51 0.00 0.00 43.02 41.15 1it7 s PHE 527 CO 0.09 0.43 1.62 0.00 0.70 0.00 0.00 175.22 178.06 1it7 h ALA 528 N 3.40 -0.13 -0.87 5.36 0.00 -1.41 -2.38 119.26 123.22 1it7 h ALA 528 Ca -0.48 0.09 0.25 0.00 0.00 0.00 0.00 54.91 54.77 1it7 h ALA 528 Cb 1.19 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 19.51 1it7 h ALA 528 CO 0.67 -0.68 0.71 1.57 0.00 0.00 0.00 179.25 181.51 1it7 h LYS 529 N -0.25 0.00 -0.03 0.00 2.10 -1.69 0.38 116.57 117.08 1it7 h LYS 529 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 1it7 h LYS 529 Cb 0.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 1it7 h LYS 529 CO -0.44 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 178.20 1it7 n PHE 530 N -4.00 0.03 -3.19 0.07 3.01 -0.90 -4.81 117.46 107.66 1it7 n PHE 530 Ca 0.18 -0.01 -0.40 0.00 1.01 0.00 0.00 57.45 58.23 1it7 n PHE 530 Cb 1.01 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.42 1it7 n PHE 530 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1it7 s VAL 531 N -1.97 5.06 -0.11 -4.37 1.01 0.13 -0.64 120.40 119.52 1it7 s VAL 531 Ca 0.39 1.04 0.15 0.00 0.00 0.00 0.00 61.98 63.56 1it7 s VAL 531 Cb 0.21 -3.88 -0.23 0.00 0.00 0.00 0.00 36.38 32.48 1it7 s VAL 531 CO 0.33 0.13 0.49 2.30 0.00 0.00 0.00 175.10 178.35 1it7 n ILE 532 N 4.73 1.41 -3.55 2.22 -5.35 0.45 -4.66 119.36 114.61 1it7 n ILE 532 Ca -0.03 -0.79 -0.15 0.00 -0.27 0.00 0.00 62.75 61.51 1it7 n ILE 532 Cb 0.50 -0.77 -0.06 0.00 -1.74 0.00 0.00 39.64 37.57 1it7 n ILE 532 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1it7 s PHE 533 N -2.65 -0.59 0.04 4.28 5.36 -1.15 -4.94 117.98 118.33 1it7 s PHE 533 Ca -0.06 1.09 -0.10 0.00 -0.96 0.00 0.00 56.93 56.90 1it7 s PHE 533 Cb 0.08 0.40 0.00 0.00 -0.34 0.00 0.00 43.02 43.16 1it7 s PHE 533 CO 0.83 -0.50 0.20 0.00 -1.46 0.00 0.00 175.22 174.28 1it7 s ALA 534 N -0.95 -0.36 -0.13 11.12 0.00 -1.26 0.11 121.76 130.28 1it7 s ALA 534 Ca -0.07 -0.29 -0.32 0.00 0.00 0.00 0.00 51.96 51.28 1it7 s ALA 534 Cb -0.01 0.29 -0.10 0.00 0.00 0.00 0.00 23.12 23.31 1it7 s ALA 534 CO 0.06 -0.37 2.01 -3.47 0.00 0.00 0.00 175.76 173.99 1it7 n ASP 535 N 0.64 3.38 0.12 0.00 -0.08 0.66 -4.72 116.55 116.55 1it7 n ASP 535 Ca -0.19 0.73 0.19 0.00 -1.51 0.00 0.00 54.79 54.02 1it7 n ASP 535 Cb 0.59 -1.42 0.77 0.00 2.34 0.00 0.00 41.12 43.40 1it7 n ASP 535 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1it7 h PRO 536 N 11.07 0.00 0.00 -0.67 0.11 -1.90 -0.13 132.00 140.47 1it7 h PRO 536 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1it7 h PRO 536 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1it7 h PRO 536 CO 0.96 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.53 1it7 h GLY 537 N 0.00 0.00 -4.41 -0.55 0.00 -1.97 -3.42 103.07 92.73 1it7 h GLY 537 Ca 0.16 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.96 1it7 h GLY 537 CO -0.00 0.00 0.89 -0.42 0.00 0.00 0.00 176.54 177.01 1it7 s ILE 538 N -3.22 2.23 0.27 2.60 1.01 -0.06 -4.94 121.20 119.08 1it7 s ILE 538 Ca 0.08 0.18 0.11 0.00 0.00 0.00 0.00 60.65 61.02 1it7 s ILE 538 Cb 0.10 -3.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 1it7 s ILE 538 CO 0.56 0.02 -0.17 -0.13 0.00 0.00 0.00 174.94 175.23 1it7 s ARG 539 N 0.11 1.78 0.20 2.79 1.81 -1.26 -2.02 118.95 122.36 1it7 s ARG 539 Ca 0.66 -1.67 -0.33 0.00 -1.72 0.00 0.00 55.73 52.67 1it7 s ARG 539 Cb -0.47 -1.86 -0.14 0.00 -0.45 0.00 0.00 34.95 32.04 1it7 s ARG 539 CO 0.41 0.35 1.51 -2.30 -0.68 0.00 0.00 175.30 174.59 1it7 n PRO 540 N -0.57 2.13 -0.99 3.54 -0.02 -1.25 -1.56 135.00 136.29 1it7 n PRO 540 Ca -0.06 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1it7 n PRO 540 Cb 0.59 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1it7 n PRO 540 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1it7 n TYR 541 N 2.71 0.00 -1.31 6.00 4.02 0.30 -1.85 117.16 127.04 1it7 n TYR 541 Ca 0.14 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.72 1it7 n TYR 541 Cb 0.30 -0.10 0.09 0.00 -0.02 0.00 0.00 39.34 39.62 1it7 n TYR 541 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1it7 s ASP 542 N -2.34 4.46 -0.00 7.72 1.01 -0.60 -4.56 116.67 122.36 1it7 s ASP 542 Ca 0.00 1.71 -0.24 0.00 0.71 0.00 0.00 52.55 54.73 1it7 s ASP 542 Cb 0.00 -2.43 -0.05 0.00 1.01 0.00 0.00 42.92 41.45 1it7 s ASP 542 CO 0.00 -2.04 0.71 -1.61 0.21 0.00 0.00 175.17 172.44 1it7 s GLU 543 N -4.94 4.44 0.13 8.23 0.41 -1.26 0.16 118.70 125.87 1it7 s GLU 543 Ca 0.61 0.94 0.08 0.00 -0.41 0.00 0.00 54.97 56.19 1it7 s GLU 543 Cb -0.17 -3.39 -0.04 0.00 -1.78 0.00 0.00 34.13 28.76 1it7 s GLU 543 CO 0.56 0.22 -0.18 0.14 -0.49 0.00 0.00 175.26 175.51 1it7 s VAL 544 N 0.23 1.65 -0.51 2.63 -7.23 0.03 -4.88 120.40 112.31 1it7 s VAL 544 Ca 0.37 -1.75 -0.17 0.00 -1.81 0.00 0.00 61.98 58.62 1it7 s VAL 544 Cb -0.19 -1.66 0.09 0.00 0.56 0.00 0.00 36.38 35.18 1it7 s VAL 544 CO 0.20 -0.27 0.51 -0.76 -0.31 0.00 0.00 175.10 174.48 1it7 s LEU 545 N -2.38 5.61 -0.40 1.32 1.43 0.21 -2.40 118.68 122.06 1it7 s LEU 545 Ca 0.11 -1.38 -0.29 0.00 -1.03 0.00 0.00 54.13 51.54 1it7 s LEU 545 Cb -0.07 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 43.89 1it7 s LEU 545 CO 0.05 -0.82 1.54 -0.69 0.23 0.00 0.00 176.35 176.67 1it7 s VAL 546 N 1.97 3.75 0.28 -1.59 1.01 0.05 -2.17 120.40 123.69 1it7 s VAL 546 Ca 0.07 0.74 0.07 0.00 0.00 0.00 0.00 61.98 62.86 1it7 s VAL 546 Cb -0.25 -4.04 -0.06 0.00 0.00 0.00 0.00 36.38 32.03 1it7 s VAL 546 CO 0.07 -0.69 -0.07 0.54 0.00 0.00 0.00 175.10 174.95 1it7 s VAL 547 N 6.04 1.72 0.56 2.92 0.11 -0.34 0.96 120.40 132.37 1it7 s VAL 547 Ca 0.67 -2.14 0.08 0.00 -2.93 0.00 0.00 61.98 57.66 1it7 s VAL 547 Cb -0.16 -2.44 0.08 0.00 -1.53 0.00 0.00 36.38 32.33 1it7 s VAL 547 CO 0.32 -0.31 0.77 0.54 -3.33 0.00 0.00 175.10 173.10 1it7 s ASN 548 N -3.45 5.13 0.53 3.54 2.20 -1.09 -1.70 114.94 120.10 1it7 s ASN 548 Ca 0.29 -0.73 0.26 0.00 -0.94 0.00 0.00 52.86 51.75 1it7 s ASN 548 Cb 0.03 0.11 1.42 0.00 -2.00 0.00 0.00 41.25 40.81 1it7 s ASN 548 CO 0.12 -1.29 1.98 -0.33 -2.94 0.00 0.00 177.10 174.64 1it7 h GLU 549 N 0.19 0.00 -0.21 3.55 5.08 -1.93 0.47 114.58 121.73 1it7 h GLU 549 Ca -0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1it7 h GLU 549 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1it7 h GLU 549 CO 0.41 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.51 1it7 n ASN 550 N -4.33 0.95 -3.64 1.42 3.02 -1.26 -4.88 115.26 106.54 1it7 n ASN 550 Ca 0.11 -2.01 -0.22 0.00 -0.03 0.00 0.00 54.58 52.42 1it7 n ASN 550 Cb 0.66 -0.14 0.06 0.00 -0.61 0.00 0.00 39.78 39.75 1it7 n ASN 550 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1it7 n ASP 551 N -0.01 -3.36 -4.50 6.41 4.64 0.17 -4.98 116.55 114.92 1it7 n ASP 551 Ca 0.06 -0.69 -0.37 0.00 -1.38 0.00 0.00 54.79 52.41 1it7 n ASP 551 Cb 0.16 -4.56 -0.12 0.00 -1.04 0.00 0.00 41.12 35.56 1it7 n ASP 551 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 1it7 s GLU 552 N -6.01 3.76 -0.09 -0.67 2.02 -1.25 -4.86 118.70 111.60 1it7 s GLU 552 Ca 0.27 -0.42 -0.37 0.00 0.02 0.00 0.00 54.97 54.46 1it7 s GLU 552 Cb -0.13 -3.42 -0.15 0.00 0.10 0.00 0.00 34.13 30.54 1it7 s GLU 552 CO 0.77 -0.16 1.64 -0.11 0.02 0.00 0.00 175.26 177.42 1it7 n LEU 553 N 4.88 2.46 -0.05 1.80 7.94 -1.26 -2.68 117.00 130.09 1it7 n LEU 553 Ca -0.16 1.07 -0.05 0.00 -1.11 0.00 0.00 56.01 55.77 1it7 n LEU 553 Cb 0.52 -1.23 -0.08 0.00 0.53 0.00 0.00 43.42 43.15 1it7 n LEU 553 CO 0.32 -0.52 -0.84 0.18 -1.11 0.00 0.00 177.39 175.43 1it7 n LEU 554 N 4.59 0.00 0.00 -1.96 4.77 0.27 -4.86 117.00 119.82 1it7 n LEU 554 Ca 0.22 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1it7 n LEU 554 Cb 0.20 0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1it7 n LEU 554 CO 0.72 0.25 0.00 0.00 -1.33 0.00 0.00 177.39 177.03 1it7 n ALA 555 N -2.37 0.00 -2.60 -1.18 0.00 -0.83 -1.98 120.51 111.55 1it7 n ALA 555 Ca -0.16 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.06 1it7 n ALA 555 Cb 0.82 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.13 1it7 n ALA 555 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1it7 s THR 556 N -2.00 1.32 0.00 0.00 2.01 -0.60 -0.77 115.64 115.60 1it7 s THR 556 Ca 0.00 -1.16 0.00 0.00 0.31 0.00 0.00 61.69 60.84 1it7 s THR 556 Cb 0.00 -1.19 0.00 0.00 0.01 0.00 0.00 72.50 71.32 1it7 s THR 556 CO 0.00 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.55 1it7 n GLY 557 N 1.69 1.81 3.21 4.40 0.00 -1.01 0.66 105.19 115.95 1it7 n GLY 557 Ca -0.18 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 1it7 n GLY 557 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1it7 s GLN 558 N -1.23 2.50 0.32 1.61 0.74 0.08 -0.79 119.66 122.89 1it7 s GLN 558 Ca 0.00 -0.81 -0.28 0.00 0.05 0.00 0.00 55.36 54.32 1it7 s GLN 558 Cb 0.00 -2.04 -0.10 0.00 1.10 0.00 0.00 33.01 31.97 1it7 s GLN 558 CO 0.00 0.27 1.23 0.00 -0.55 0.00 0.00 175.29 176.24 1it7 s ALA 559 N 0.08 3.43 -1.11 1.58 0.00 0.12 -1.10 121.76 124.76 1it7 s ALA 559 Ca -0.09 1.12 0.10 0.00 0.00 0.00 0.00 51.96 53.08 1it7 s ALA 559 Cb -0.15 -3.42 0.05 0.00 0.00 0.00 0.00 23.12 19.60 1it7 s ALA 559 CO 0.05 -0.48 0.75 1.28 0.00 0.00 0.00 175.76 177.35 1it7 n LEU 560 N 0.82 1.61 -4.14 0.00 4.77 -0.01 0.11 117.00 120.16 1it7 n LEU 560 Ca 0.00 -0.92 -0.12 0.00 -0.03 0.00 0.00 56.01 54.94 1it7 n LEU 560 Cb 0.43 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.45 1it7 n LEU 560 CO 0.57 0.31 -0.06 -0.76 -1.33 0.00 0.00 177.39 176.12 1it7 s LEU 561 N -1.08 0.95 0.55 2.23 1.43 -1.25 -4.82 118.68 116.69 1it7 s LEU 561 Ca 0.10 -1.31 -0.09 0.00 -1.03 0.00 0.00 54.13 51.80 1it7 s LEU 561 Cb 0.08 0.94 -0.04 0.00 0.03 0.00 0.00 46.19 47.20 1it7 s LEU 561 CO 0.16 -1.01 0.93 -0.94 0.23 0.00 0.00 176.35 175.72 1it7 s SER 562 N -3.15 6.28 0.19 2.29 1.04 -1.26 -3.78 113.70 115.30 1it7 s SER 562 Ca 0.33 1.24 -0.13 0.00 0.48 0.00 0.00 55.95 57.87 1it7 s SER 562 Cb 0.03 -2.39 0.19 0.00 0.10 0.00 0.00 66.02 63.96 1it7 s SER 562 CO 0.14 -0.73 1.69 1.23 0.98 0.00 0.00 173.24 176.55 1it7 h GLY 563 N 0.04 0.53 0.78 7.32 0.00 -1.55 -0.15 103.07 110.04 1it7 h GLY 563 Ca -0.45 0.04 0.05 0.00 0.00 0.00 0.00 47.33 46.97 1it7 h GLY 563 CO 0.62 -0.12 0.61 -0.09 0.00 0.00 0.00 176.54 177.55 1it7 h ARG 564 N 0.14 1.10 -0.45 4.80 2.43 -1.82 -2.44 114.38 118.13 1it7 h ARG 564 Ca 0.25 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.25 1it7 h ARG 564 Cb 0.37 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1it7 h ARG 564 CO -0.39 0.73 -0.16 0.93 -1.51 0.00 0.00 179.97 179.56 1it7 h GLU 565 N 1.13 0.86 -0.09 0.20 5.08 -1.47 -2.98 114.58 117.31 1it7 h GLU 565 Ca 0.40 -0.32 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1it7 h GLU 565 Cb 0.11 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1it7 h GLU 565 CO -0.16 0.96 0.07 0.52 -1.00 0.00 0.00 179.01 179.40 1it7 h MET 566 N 0.76 0.00 0.08 2.33 2.86 -0.60 -0.97 114.93 119.39 1it7 h MET 566 Ca 0.12 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1it7 h MET 566 Cb 0.68 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.34 1it7 h MET 566 CO 0.05 0.00 -0.04 0.82 1.06 0.00 0.00 176.91 178.80 1it7 h ILE 567 N 0.00 0.74 -0.37 -1.22 2.04 -1.46 -3.37 117.51 113.87 1it7 h ILE 567 Ca 0.04 -1.36 -0.09 0.00 1.00 0.00 0.00 64.86 64.45 1it7 h ILE 567 Cb 0.18 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1it7 h ILE 567 CO -0.00 0.23 -0.14 -0.37 0.00 0.00 0.00 178.15 177.87 1it7 h VAL 568 N -0.97 1.25 -3.24 1.67 -1.51 -1.47 -3.45 116.25 108.54 1it7 h VAL 568 Ca -0.01 -1.15 -0.53 0.00 -1.23 0.00 0.00 66.70 63.78 1it7 h VAL 568 Cb 0.46 1.12 0.04 0.00 -2.13 0.00 0.00 31.29 30.79 1it7 h VAL 568 CO 0.02 0.38 0.73 -0.36 -1.23 0.00 0.00 177.57 177.12 1it7 s PHE 569 N -4.73 3.14 -0.92 5.19 0.40 -0.38 -4.86 117.98 115.82 1it7 s PHE 569 Ca -0.08 1.02 0.09 0.00 -0.60 0.00 0.00 56.93 57.36 1it7 s PHE 569 Cb 0.14 -3.74 0.02 0.00 0.51 0.00 0.00 43.02 39.95 1it7 s PHE 569 CO 0.81 -2.46 0.65 1.04 0.70 0.00 0.00 175.22 175.96 1it7 n GLN 570 N 2.93 1.58 -4.42 0.44 1.13 -1.26 -3.13 117.38 114.65 1it7 n GLN 570 Ca 0.08 -0.72 -0.22 0.00 -1.94 0.00 0.00 57.00 54.21 1it7 n GLN 570 Cb 0.41 -1.09 -0.13 0.00 0.11 0.00 0.00 30.24 29.54 1it7 n GLN 570 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 1it7 s TYR 571 N -1.10 1.44 0.00 1.08 1.51 -1.26 -4.09 117.35 114.92 1it7 s TYR 571 Ca 0.08 -0.37 0.00 0.00 -1.01 0.00 0.00 57.07 55.77 1it7 s TYR 571 Cb 0.07 -0.85 0.00 0.00 -0.11 0.00 0.00 41.96 41.08 1it7 s TYR 571 CO 0.19 0.07 0.00 0.41 -1.11 0.00 0.00 175.55 175.10 1it7 n GLY 572 N 1.78 -0.04 3.80 0.71 0.00 -1.26 -4.75 105.19 105.44 1it7 n GLY 572 Ca -0.18 -1.77 -0.35 0.00 0.00 0.00 0.00 46.02 43.72 1it7 n GLY 572 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1it7 s ARG 573 N -2.21 4.37 -0.12 1.61 0.52 -1.26 -1.22 118.95 120.64 1it7 s ARG 573 Ca 0.00 1.14 0.05 0.00 -0.52 0.00 0.00 55.73 56.40 1it7 s ARG 573 Cb 0.00 -2.55 -0.10 0.00 0.52 0.00 0.00 34.95 32.81 1it7 s ARG 573 CO 0.00 0.17 -0.05 0.00 0.02 0.00 0.00 175.30 175.44 1it7 n ALA 574 N 0.07 1.73 -3.66 2.13 0.00 0.71 -4.60 120.51 116.88 1it7 n ALA 574 Ca 0.03 -0.62 -0.17 0.00 0.00 0.00 0.00 53.44 52.69 1it7 n ALA 574 Cb 0.52 0.12 -0.16 0.00 0.00 0.00 0.00 19.45 19.93 1it7 n ALA 574 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1it7 s VAL 575 N -2.26 0.20 -0.53 0.00 1.01 -0.61 -0.83 120.40 117.37 1it7 s VAL 575 Ca -0.12 0.06 -0.20 0.00 0.00 0.00 0.00 61.98 61.72 1it7 s VAL 575 Cb 0.04 -0.28 0.06 0.00 0.00 0.00 0.00 36.38 36.20 1it7 s VAL 575 CO 0.36 0.14 0.70 -0.75 0.00 0.00 0.00 175.10 175.55 1it7 s LYS 576 N 0.94 3.15 0.04 2.72 2.20 -0.26 -1.62 119.74 126.90 1it7 s LYS 576 Ca -0.10 -0.83 -0.30 0.00 -0.36 0.00 0.00 55.97 54.38 1it7 s LYS 576 Cb -0.13 -4.12 -0.05 0.00 -1.51 0.00 0.00 37.83 32.02 1it7 s LYS 576 CO -0.01 -1.33 1.25 0.08 -0.36 0.00 0.00 175.35 174.97 1it7 s VAL 577 N 2.93 3.93 -0.11 4.02 1.01 -1.26 -0.74 120.40 130.18 1it7 s VAL 577 Ca 0.18 1.36 -0.21 0.00 0.00 0.00 0.00 61.98 63.31 1it7 s VAL 577 Cb -0.19 -3.87 -0.27 0.00 0.00 0.00 0.00 36.38 32.05 1it7 s VAL 577 CO 0.12 0.07 0.66 0.03 0.00 0.00 0.00 175.10 175.98 1it7 h ARG 578 N 7.06 0.18 -1.82 2.72 3.08 -0.07 -3.47 114.38 122.06 1it7 h ARG 578 Ca -0.40 -0.31 0.05 0.00 0.07 0.00 0.00 59.98 59.39 1it7 h ARG 578 Cb 1.20 0.11 -0.23 0.00 0.08 0.00 0.00 29.97 31.13 1it7 h ARG 578 CO 0.84 1.15 0.19 0.21 -1.07 0.00 0.00 179.97 181.29 1it7 s LYS 579 N -2.40 0.60 0.15 0.04 2.20 -1.08 -5.02 119.74 114.23 1it7 s LYS 579 Ca -0.19 0.97 -0.03 0.00 -0.36 0.00 0.00 55.97 56.36 1it7 s LYS 579 Cb 0.02 0.16 0.03 0.00 -1.51 0.00 0.00 37.83 36.53 1it7 s LYS 579 CO 0.75 -0.11 0.18 0.41 -0.36 0.00 0.00 175.35 176.21 1it7 n GLY 580 N 3.76 -1.57 0.45 5.54 0.00 -1.26 -1.55 105.19 110.56 1it7 n GLY 580 Ca -0.18 -1.61 -0.17 0.00 0.00 0.00 0.00 46.02 44.05 1it7 n GLY 580 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1it7 n VAL 581 N -2.43 0.91 0.19 1.61 0.31 -0.84 -4.82 118.33 113.27 1it7 n VAL 581 Ca 0.02 -0.24 0.02 0.00 -0.01 0.00 0.00 64.34 64.13 1it7 n VAL 581 Cb 0.08 -1.67 0.09 0.00 -0.91 0.00 0.00 33.84 31.43 1it7 n VAL 581 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72