#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 0.53 -4.30 1.97 2.81 -1.26 -4.86 117.12 112.01 1it7 n MET 7 Ca 0.00 -0.06 -0.33 0.00 -1.81 0.00 0.00 57.70 55.50 1it7 n MET 7 Cb 0.00 -1.62 -0.15 0.00 -0.71 0.00 0.00 33.22 30.74 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 -4.54 2.40 -0.06 4.03 1.98 -1.26 -1.89 118.68 119.34 1it7 s LEU 8 Ca -0.03 -0.53 0.02 0.00 -2.89 0.00 0.00 54.13 50.71 1it7 s LEU 8 Cb 0.13 -1.56 -0.03 0.00 0.66 0.00 0.00 46.19 45.40 1it7 s LEU 8 CO 0.85 0.04 -0.11 -0.54 -1.89 0.00 0.00 176.35 174.70 1it7 s LYS 9 N 1.09 2.63 -0.05 1.98 1.02 0.23 -4.98 119.74 121.66 1it7 s LYS 9 Ca -0.00 -0.64 -0.02 0.00 0.02 0.00 0.00 55.97 55.33 1it7 s LYS 9 Cb -0.14 -2.47 0.04 0.00 -0.52 0.00 0.00 37.83 34.73 1it7 s LYS 9 CO -0.05 0.63 0.11 0.12 -0.92 0.00 0.00 175.35 175.24 1it7 s PHE 10 N -0.73 -0.10 0.01 3.18 5.36 -1.26 -0.91 117.98 123.52 1it7 s PHE 10 Ca 0.11 0.39 -0.05 0.00 -0.96 0.00 0.00 56.93 56.42 1it7 s PHE 10 Cb -0.11 -0.15 -0.00 0.00 -0.34 0.00 0.00 43.02 42.41 1it7 s PHE 10 CO 0.01 -0.15 0.08 -1.83 -1.46 0.00 0.00 175.22 171.87 1it7 s GLU 11 N 1.27 0.40 -0.04 10.12 -1.05 -0.75 -4.59 118.70 124.06 1it7 s GLU 11 Ca -0.08 -0.42 -0.24 0.00 -0.15 0.00 0.00 54.97 54.08 1it7 s GLU 11 Cb -0.12 0.16 -0.04 0.00 -0.44 0.00 0.00 34.13 33.69 1it7 s GLU 11 CO -0.05 -0.09 0.72 0.42 0.95 0.00 0.00 175.26 177.21 1it7 s ILE 12 N -1.30 4.97 -0.14 1.83 1.01 -1.26 -0.56 121.20 125.75 1it7 s ILE 12 Ca -0.14 1.49 0.10 0.00 0.00 0.00 0.00 60.65 62.10 1it7 s ILE 12 Cb -0.08 -4.06 -0.16 0.00 0.01 0.00 0.00 42.46 38.17 1it7 s ILE 12 CO 0.01 0.28 0.01 0.29 0.00 0.00 0.00 174.94 175.53 1it7 n LYS 13 N 3.52 1.54 -3.48 2.79 5.02 0.77 -4.86 118.16 123.47 1it7 n LYS 13 Ca -0.02 0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1it7 n LYS 13 Cb 0.51 -1.35 -0.03 0.00 -0.02 0.00 0.00 35.03 34.14 1it7 n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1it7 s ALA 14 N -2.34 -1.42 0.17 7.82 0.00 -1.12 -4.99 121.76 119.88 1it7 s ALA 14 Ca -0.10 0.35 -0.19 0.00 0.00 0.00 0.00 51.96 52.03 1it7 s ALA 14 Cb 0.04 0.83 0.04 0.00 0.00 0.00 0.00 23.12 24.03 1it7 s ALA 14 CO 0.54 -0.73 0.54 -0.98 0.00 0.00 0.00 175.76 175.12 1it7 s ARG 15 N -3.73 1.31 -0.08 0.00 1.70 -1.26 -0.30 118.95 116.59 1it7 s ARG 15 Ca 0.01 -0.71 -0.31 0.00 -0.47 0.00 0.00 55.73 54.25 1it7 s ARG 15 Cb -0.00 0.54 0.08 0.00 -0.57 0.00 0.00 34.95 35.00 1it7 s ARG 15 CO -0.12 -0.56 0.74 0.34 -1.08 0.00 0.00 175.30 174.61 1it7 s ASP 16 N -2.82 -0.61 0.91 -2.89 -1.08 -0.90 -4.87 116.67 104.40 1it7 s ASP 16 Ca 0.05 0.68 0.00 0.00 -0.52 0.00 0.00 52.55 52.77 1it7 s ASP 16 Cb -0.01 0.52 0.00 0.00 -1.46 0.00 0.00 42.92 41.98 1it7 s ASP 16 CO -0.07 -0.55 0.00 0.61 0.52 0.00 0.00 175.17 175.67 1it7 n GLY 17 N 0.93 2.73 1.26 2.66 0.00 -1.26 0.59 105.19 112.10 1it7 n GLY 17 Ca -0.17 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.74 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 8.65 2.40 -2.13 4.61 0.00 -0.74 -3.72 120.51 129.58 1it7 n ALA 18 Ca 0.00 -1.14 -0.24 0.00 0.00 0.00 0.00 53.44 52.06 1it7 n ALA 18 Cb 0.00 -0.90 0.03 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.27 1.64 0.05 0.00 0.00 0.20 -3.38 107.32 104.56 1it7 s GLY 19 Ca 0.44 -0.96 -0.25 0.00 0.00 0.00 0.00 44.72 43.94 1it7 s GLY 19 CO 0.33 -0.71 0.59 1.09 0.00 0.00 0.00 173.10 174.40 1it7 s ARG 20 N -4.82 1.11 -0.27 2.90 1.70 -1.26 -2.12 118.95 116.18 1it7 s ARG 20 Ca 0.53 -0.16 -0.09 0.00 -0.47 0.00 0.00 55.73 55.54 1it7 s ARG 20 Cb -0.10 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 34.76 1it7 s ARG 20 CO 0.41 -0.41 0.12 0.42 -1.08 0.00 0.00 175.30 174.76 1it7 s ILE 21 N -2.46 4.66 0.33 4.99 1.01 0.59 -3.92 121.20 126.40 1it7 s ILE 21 Ca -0.05 -0.12 0.09 0.00 0.00 0.00 0.00 60.65 60.57 1it7 s ILE 21 Cb -0.01 -3.23 -0.06 0.00 0.01 0.00 0.00 42.46 39.17 1it7 s ILE 21 CO -0.02 0.26 -0.09 -0.83 0.00 0.00 0.00 174.94 174.26 1it7 s GLY 22 N 1.66 2.14 -0.21 6.18 0.00 0.59 -0.16 107.32 117.52 1it7 s GLY 22 Ca 0.06 -2.06 -0.06 0.00 0.00 0.00 0.00 44.72 42.66 1it7 s GLY 22 CO 0.06 -2.01 0.03 1.25 0.00 0.00 0.00 173.10 172.44 1it7 s LYS 23 N -3.62 3.72 -0.14 2.90 2.20 0.27 -0.02 119.74 125.05 1it7 s LYS 23 Ca 0.32 -0.47 0.02 0.00 -0.36 0.00 0.00 55.97 55.48 1it7 s LYS 23 Cb 0.02 -3.17 0.01 0.00 -1.51 0.00 0.00 37.83 33.19 1it7 s LYS 23 CO 0.16 0.04 -0.19 -1.17 -0.36 0.00 0.00 175.35 173.83 1it7 s LEU 24 N 0.96 1.96 -0.11 5.43 0.20 0.27 -1.81 118.68 125.58 1it7 s LEU 24 Ca 0.03 -0.55 0.03 0.00 0.69 0.00 0.00 54.13 54.32 1it7 s LEU 24 Cb -0.14 -1.33 0.00 0.00 -0.43 0.00 0.00 46.19 44.29 1it7 s LEU 24 CO 0.02 0.03 -0.22 -0.70 -0.29 0.00 0.00 176.35 175.20 1it7 s GLU 25 N 1.02 3.09 -0.14 1.98 2.12 -0.09 -0.60 118.70 126.08 1it7 s GLU 25 Ca -0.03 -0.85 -0.00 0.00 0.36 0.00 0.00 54.97 54.44 1it7 s GLU 25 Cb -0.15 -2.37 0.03 0.00 0.26 0.00 0.00 34.13 31.90 1it7 s GLU 25 CO -0.05 0.14 -0.09 0.08 -0.54 0.00 0.00 175.26 174.80 1it7 s VAL 26 N 0.45 1.23 -1.27 3.70 1.01 0.27 -0.60 120.40 125.19 1it7 s VAL 26 Ca -0.15 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 1it7 s VAL 26 Cb -0.17 -1.25 0.03 0.00 0.00 0.00 0.00 36.38 34.99 1it7 s VAL 26 CO 0.06 0.34 0.07 0.59 0.00 0.00 0.00 175.10 176.16 1it7 n ASN 27 N 4.87 0.46 0.00 3.32 3.02 -0.79 -0.09 115.26 126.04 1it7 n ASN 27 Ca -0.14 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.40 1it7 n ASN 27 Cb 0.49 -1.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.40 1it7 n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1it7 n GLY 28 N -2.08 1.41 3.71 7.41 0.00 -1.26 -5.05 105.19 109.33 1it7 n GLY 28 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.68 4.18 -0.14 1.61 1.02 0.87 -5.08 119.74 121.52 1it7 s LYS 29 Ca 0.00 -0.14 -0.03 0.00 0.02 0.00 0.00 55.97 55.82 1it7 s LYS 29 Cb 0.00 -3.45 -0.03 0.00 -0.52 0.00 0.00 37.83 33.83 1it7 s LYS 29 CO 0.00 0.22 -0.03 0.15 -0.92 0.00 0.00 175.35 174.77 1it7 s LYS 30 N 0.57 3.55 0.06 1.68 1.02 -1.26 -0.56 119.74 124.79 1it7 s LYS 30 Ca 0.10 -0.50 0.02 0.00 0.02 0.00 0.00 55.97 55.62 1it7 s LYS 30 Cb -0.12 -2.89 -0.03 0.00 -0.52 0.00 0.00 37.83 34.27 1it7 s LYS 30 CO 0.01 0.32 -0.08 -1.50 -0.92 0.00 0.00 175.35 173.18 1it7 s ILE 31 N 0.14 0.63 -0.16 2.17 2.07 0.24 -4.99 121.20 121.30 1it7 s ILE 31 Ca -0.01 -1.31 -0.07 0.00 -1.41 0.00 0.00 60.65 57.84 1it7 s ILE 31 Cb -0.14 -0.92 -0.04 0.00 0.13 0.00 0.00 42.46 41.50 1it7 s ILE 31 CO 0.03 -0.49 0.09 -0.70 -1.91 0.00 0.00 174.94 171.95 1it7 s GLU 32 N -2.15 3.82 0.21 3.50 2.12 -1.26 -0.56 118.70 124.38 1it7 s GLU 32 Ca -0.04 -0.28 0.07 0.00 0.36 0.00 0.00 54.97 55.08 1it7 s GLU 32 Cb -0.06 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 1it7 s GLU 32 CO -0.01 0.42 0.06 0.95 -0.54 0.00 0.00 175.26 176.14 1it7 s THR 33 N -0.03 3.92 0.44 -1.70 -4.23 0.97 -4.27 115.64 110.74 1it7 s THR 33 Ca 0.07 -1.49 -0.26 0.00 -1.18 0.00 0.00 61.69 58.83 1it7 s THR 33 Cb -0.12 -3.04 -0.09 0.00 1.34 0.00 0.00 72.50 70.59 1it7 s THR 33 CO 0.01 -0.23 1.44 -2.65 -0.54 0.00 0.00 174.62 172.64 1it7 n PRO 34 N -0.58 2.32 -3.86 3.99 -0.02 -1.25 -0.30 135.00 135.30 1it7 n PRO 34 Ca -0.08 0.82 -0.11 0.00 -2.02 0.00 0.00 63.50 62.11 1it7 n PRO 34 Cb 0.57 -2.63 -0.09 0.00 -0.02 0.00 0.00 33.50 31.33 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 -1.18 -0.34 -0.09 3.55 0.00 -0.68 -5.00 121.76 118.03 1it7 s ALA 35 Ca 0.60 -0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.38 1it7 s ALA 35 Cb -0.46 0.20 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 1it7 s ALA 35 CO 0.59 -0.29 -0.24 -1.50 0.00 0.00 0.00 175.76 174.32 1it7 s ILE 36 N -2.05 2.02 -0.27 0.00 2.07 -1.26 -1.77 121.20 119.95 1it7 s ILE 36 Ca -0.09 -1.01 -0.09 0.00 -1.41 0.00 0.00 60.65 58.05 1it7 s ILE 36 Cb -0.04 -1.74 -0.04 0.00 0.13 0.00 0.00 42.46 40.78 1it7 s ILE 36 CO -0.01 0.55 0.13 0.00 -1.91 0.00 0.00 174.94 173.70 1it7 s MET 37 N 0.23 3.76 0.43 3.50 0.23 0.14 -4.83 119.30 122.75 1it7 s MET 37 Ca -0.15 -0.43 -0.24 0.00 -1.03 0.00 0.00 55.69 53.84 1it7 s MET 37 Cb -0.17 -3.49 -0.08 0.00 -1.53 0.00 0.00 34.83 29.56 1it7 s MET 37 CO 0.07 -0.20 1.21 -2.14 -2.03 0.00 0.00 175.02 171.93 1it7 s PRO 38 N 1.68 3.86 -0.03 3.16 0.02 -1.25 -1.73 135.00 140.71 1it7 s PRO 38 Ca 0.07 1.92 -0.23 0.00 0.02 0.00 0.00 61.00 62.78 1it7 s PRO 38 Cb -0.16 -2.57 -0.05 0.00 0.02 0.00 0.00 34.50 31.74 1it7 s PRO 38 CO 0.07 -0.51 0.67 0.08 -0.33 0.00 0.00 177.00 176.98 1it7 s VAL 39 N -1.41 4.95 -0.16 3.83 1.01 1.00 -1.95 120.40 127.66 1it7 s VAL 39 Ca 0.60 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.98 1it7 s VAL 39 Cb -0.32 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1it7 s VAL 39 CO 0.40 0.33 -0.15 0.68 0.00 0.00 0.00 175.10 176.36 1it7 s VAL 40 N 0.32 2.64 -0.43 2.92 -7.23 -0.20 -4.81 120.40 113.61 1it7 s VAL 40 Ca 0.35 -0.77 -0.27 0.00 -1.81 0.00 0.00 61.98 59.48 1it7 s VAL 40 Cb -0.18 -2.12 0.02 0.00 0.56 0.00 0.00 36.38 34.66 1it7 s VAL 40 CO 0.18 0.51 0.98 0.21 -0.31 0.00 0.00 175.10 176.68 1it7 s ASN 41 N 0.93 6.61 0.59 4.85 3.04 -1.26 -4.49 114.94 125.21 1it7 s ASN 41 Ca -0.03 0.40 0.36 0.00 0.04 0.00 0.00 52.86 53.62 1it7 s ASN 41 Cb -0.15 -2.48 1.95 0.00 -1.54 0.00 0.00 41.25 39.03 1it7 s ASN 41 CO -0.02 -1.03 2.09 -0.65 -3.04 0.00 0.00 177.10 174.46 1it7 h PRO 42 N 8.87 0.00 0.07 0.43 0.11 -1.97 -2.42 132.00 137.09 1it7 h PRO 42 Ca -0.23 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.52 1it7 h PRO 42 Cb 1.07 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1it7 h PRO 42 CO 1.04 0.00 -2.04 1.63 -0.21 0.00 0.00 178.00 178.41 1it7 n LYS 43 N -2.84 0.71 -3.47 1.05 5.02 -1.26 -4.79 118.16 112.58 1it7 n LYS 43 Ca -0.02 0.23 -0.28 0.00 -2.02 0.00 0.00 58.31 56.22 1it7 n LYS 43 Cb 0.15 -1.68 -0.12 0.00 -0.02 0.00 0.00 35.03 33.35 1it7 n LYS 43 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1it7 s GLN 44 N -2.56 0.49 -0.69 1.97 0.74 -0.92 -5.08 119.66 113.61 1it7 s GLN 44 Ca -0.20 -1.16 -0.25 0.00 0.05 0.00 0.00 55.36 53.80 1it7 s GLN 44 Cb 0.07 -1.24 0.05 0.00 1.10 0.00 0.00 33.01 32.99 1it7 s GLN 44 CO 0.76 -1.18 1.10 -1.64 -0.55 0.00 0.00 175.29 173.78 1it7 s MET 45 N 1.27 3.16 0.32 1.67 -1.94 -1.16 -4.49 119.30 118.13 1it7 s MET 45 Ca 0.16 -0.54 0.02 0.00 -1.71 0.00 0.00 55.69 53.63 1it7 s MET 45 Cb -0.21 -4.19 0.60 0.00 2.01 0.00 0.00 34.83 33.03 1it7 s MET 45 CO -0.06 -1.94 1.93 0.28 -0.01 0.00 0.00 175.02 175.23 1it7 h VAL 46 N 6.00 1.06 -3.28 -6.03 2.07 -1.97 -3.38 116.25 110.72 1it7 h VAL 46 Ca -0.28 -0.32 -0.53 0.00 0.82 0.00 0.00 66.70 66.39 1it7 h VAL 46 Cb 1.06 0.04 -0.35 0.00 -1.52 0.00 0.00 31.29 30.52 1it7 h VAL 46 CO 1.22 0.17 -0.81 -0.69 0.02 0.00 0.00 177.57 177.48 1it7 s VAL 47 N -5.83 1.13 0.28 2.57 1.01 -1.26 -4.86 120.40 113.44 1it7 s VAL 47 Ca -0.11 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 1it7 s VAL 47 Cb 0.20 -1.08 -0.11 0.00 0.00 0.00 0.00 36.38 35.38 1it7 s VAL 47 CO 0.79 0.37 1.49 -1.61 0.00 0.00 0.00 175.10 176.14 1it7 s GLU 48 N 1.20 4.21 0.32 2.72 0.41 -1.26 -4.83 118.70 121.47 1it7 s GLU 48 Ca -0.04 2.41 0.10 0.00 -0.41 0.00 0.00 54.97 57.02 1it7 s GLU 48 Cb -0.14 -3.07 0.90 0.00 -1.78 0.00 0.00 34.13 30.04 1it7 s GLU 48 CO -0.03 -0.49 1.72 -1.35 -0.49 0.00 0.00 175.26 174.62 1it7 h PRO 49 N 4.72 0.52 0.00 0.39 0.11 -1.90 0.39 132.00 136.23 1it7 h PRO 49 Ca -0.47 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1it7 h PRO 49 Cb 1.22 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1it7 h PRO 49 CO 0.77 0.34 -0.17 1.57 -0.21 0.00 0.00 178.00 180.30 1it7 h LYS 50 N 0.53 0.00 0.06 1.05 2.10 -1.76 -0.01 116.57 118.54 1it7 h LYS 50 Ca 0.65 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 59.06 1it7 h LYS 50 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1it7 h LYS 50 CO -0.50 0.17 -1.06 1.49 -2.00 0.00 0.00 179.45 177.54 1it7 h GLU 51 N 0.00 0.35 -0.72 0.07 4.81 -0.63 -2.05 114.58 116.41 1it7 h GLU 51 Ca -0.00 -0.45 -0.03 0.00 -0.13 0.00 0.00 59.36 58.75 1it7 h GLU 51 Cb 0.29 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 1it7 h GLU 51 CO 0.02 1.15 0.34 -0.07 -0.73 0.00 0.00 179.01 179.72 1it7 h LEU 52 N 0.16 0.94 -0.60 1.64 3.38 -0.57 0.24 115.31 120.51 1it7 h LEU 52 Ca -0.10 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1it7 h LEU 52 Cb 1.73 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 42.22 1it7 h LEU 52 CO 0.18 0.81 0.27 -0.08 0.09 0.00 0.00 178.44 179.71 1it7 h GLU 53 N 1.00 0.87 -0.16 1.13 4.81 -0.98 -0.80 114.58 120.47 1it7 h GLU 53 Ca 0.25 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1it7 h GLU 53 Cb 0.13 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1it7 h GLU 53 CO -0.03 0.72 -0.09 -0.22 -0.73 0.00 0.00 179.01 178.66 1it7 h LYS 54 N 0.82 0.25 0.00 1.92 3.64 -0.68 -0.63 116.57 121.88 1it7 h LYS 54 Ca 0.20 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1it7 h LYS 54 Cb 0.15 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1it7 h LYS 54 CO -0.02 0.35 0.00 -1.33 -2.27 0.00 0.00 179.45 176.18 1it7 n MET 55 N -4.31 0.02 0.00 1.90 2.81 0.01 -4.87 117.12 112.69 1it7 n MET 55 Ca -0.01 0.18 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 1it7 n MET 55 Cb 0.24 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 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 0.55 1.21 3.43 3.03 0.00 -0.25 -5.06 105.19 108.10 1it7 n GLY 56 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 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 2.80 -1.63 1.61 0.40 -0.38 -4.87 117.98 113.90 1it7 s PHE 57 Ca 0.00 -0.74 0.12 0.00 -0.60 0.00 0.00 56.93 55.70 1it7 s PHE 57 Cb 0.00 -4.22 0.39 0.00 0.51 0.00 0.00 43.02 39.70 1it7 s PHE 57 CO 0.00 -1.55 1.28 0.39 0.70 0.00 0.00 175.22 176.04 1it7 n GLU 58 N 7.24 2.28 -3.68 0.44 -0.58 -1.26 -4.04 120.64 121.04 1it7 n GLU 58 Ca -0.02 -1.57 -0.13 0.00 -0.42 0.00 0.00 57.16 55.01 1it7 n GLU 58 Cb 0.45 -1.48 -0.08 0.00 -0.57 0.00 0.00 31.44 29.75 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 -1.58 -0.00 0.29 -3.67 2.07 -1.26 -0.85 121.20 116.20 1it7 s ILE 59 Ca 0.29 0.00 -0.06 0.00 -1.41 0.00 0.00 60.65 59.47 1it7 s ILE 59 Cb 0.17 -0.79 -0.00 0.00 0.13 0.00 0.00 42.46 41.96 1it7 s ILE 59 CO 0.16 0.00 0.43 0.27 -1.91 0.00 0.00 174.94 173.90 1it7 s ILE 60 N 0.33 0.00 0.01 2.00 -4.36 -0.38 -3.95 121.20 114.85 1it7 s ILE 60 Ca -0.00 -1.59 -0.05 0.00 -0.26 0.00 0.00 60.65 58.75 1it7 s ILE 60 Cb -0.04 -2.49 -0.00 0.00 1.25 0.00 0.00 42.46 41.18 1it7 s ILE 60 CO 0.00 0.00 0.09 -0.51 0.24 0.00 0.00 174.94 174.77 1it7 s ILE 61 N -3.50 0.10 0.20 8.37 2.07 -0.82 -0.43 121.20 127.18 1it7 s ILE 61 Ca 0.29 -0.79 -0.03 0.00 -1.41 0.00 0.00 60.65 58.71 1it7 s ILE 61 Cb 0.00 -0.44 -0.03 0.00 0.13 0.00 0.00 42.46 42.12 1it7 s ILE 61 CO 0.16 -0.43 0.19 -0.89 -1.91 0.00 0.00 174.94 172.05 1it7 s THR 62 N -1.54 0.01 -0.60 4.00 2.01 -0.91 -1.04 115.64 117.58 1it7 s THR 62 Ca -0.14 -1.86 -0.20 0.00 0.31 0.00 0.00 61.69 59.80 1it7 s THR 62 Cb -0.07 -2.37 0.09 0.00 0.01 0.00 0.00 72.50 70.16 1it7 s THR 62 CO 0.00 -0.06 0.75 0.21 -0.69 0.00 0.00 174.62 174.83 1it7 s ASN 63 N -3.11 6.18 0.53 3.53 3.84 -1.26 0.16 114.94 124.80 1it7 s ASN 63 Ca 0.34 -1.32 0.20 0.00 0.21 0.00 0.00 52.86 52.28 1it7 s ASN 63 Cb 0.06 -2.32 1.38 0.00 -0.55 0.00 0.00 41.25 39.81 1it7 s ASN 63 CO 0.10 -1.16 2.15 0.77 -2.79 0.00 0.00 177.10 176.17 1it7 h SER 64 N 9.25 0.00 -0.23 -4.21 4.64 -1.72 -1.75 113.55 119.52 1it7 h SER 64 Ca -0.29 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.95 1it7 h SER 64 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1it7 h SER 64 CO 1.11 0.03 -0.16 0.22 -0.87 0.00 0.00 176.83 177.15 1it7 h TYR 65 N 0.00 0.62 -0.86 4.77 3.20 -1.74 0.65 116.97 123.60 1it7 h TYR 65 Ca -0.00 -0.17 -0.03 0.00 3.14 0.00 0.00 58.73 61.68 1it7 h TYR 65 Cb 0.06 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.15 1it7 h TYR 65 CO 0.00 0.83 0.44 0.82 -1.64 0.00 0.00 178.16 178.61 1it7 h ILE 66 N 0.23 1.26 -0.27 1.81 2.04 -1.75 -1.90 117.51 118.93 1it7 h ILE 66 Ca 0.05 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.19 1it7 h ILE 66 Cb 0.69 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1it7 h ILE 66 CO 0.04 0.30 0.07 0.40 0.00 0.00 0.00 178.15 178.97 1it7 h ILE 67 N 1.22 1.21 -0.99 -0.67 2.04 -1.18 -2.68 117.51 116.45 1it7 h ILE 67 Ca 0.30 -0.68 0.08 0.00 1.00 0.00 0.00 64.86 65.56 1it7 h ILE 67 Cb 0.08 1.14 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 1it7 h ILE 67 CO -0.04 0.22 0.64 0.22 0.00 0.00 0.00 178.15 179.19 1it7 h TYR 68 N 0.27 1.16 0.01 1.37 3.20 -0.48 -2.65 116.97 119.84 1it7 h TYR 68 Ca 0.09 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.80 1it7 h TYR 68 Cb 0.27 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 1it7 h TYR 68 CO 0.01 0.55 -0.89 0.87 -1.64 0.00 0.00 178.16 177.06 1it7 h LYS 69 N 1.09 0.04 -5.91 1.82 1.79 -1.24 -3.44 116.57 110.72 1it7 h LYS 69 Ca 0.45 -0.05 -0.59 0.00 -2.18 0.00 0.00 60.65 58.29 1it7 h LYS 69 Cb 0.29 0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 30.88 1it7 h LYS 69 CO -0.20 0.90 0.54 0.34 -1.08 0.00 0.00 179.45 179.95 1it7 s ASP 70 N -6.79 6.94 0.17 0.86 -1.08 -1.02 -4.94 116.67 110.80 1it7 s ASP 70 Ca -0.00 1.17 -0.15 0.00 -0.52 0.00 0.00 52.55 53.04 1it7 s ASP 70 Cb 0.11 -2.47 0.13 0.00 -1.46 0.00 0.00 42.92 39.22 1it7 s ASP 70 CO 0.81 -0.52 1.69 -0.08 0.52 0.00 0.00 175.17 177.58 1it7 h GLU 71 N 7.52 0.09 -0.40 4.34 4.81 -1.84 -0.85 114.58 128.25 1it7 h GLU 71 Ca -0.24 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 58.94 1it7 h GLU 71 Cb 1.10 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 1it7 h GLU 71 CO 0.89 0.06 0.08 0.93 -0.73 0.00 0.00 179.01 180.24 1it7 h GLU 72 N 0.10 0.66 -0.02 1.92 4.39 -1.92 -1.88 114.58 117.83 1it7 h GLU 72 Ca 0.21 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 1it7 h GLU 72 Cb 0.31 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1it7 h GLU 72 CO -0.36 0.70 0.01 -0.07 -1.16 0.00 0.00 179.01 178.12 1it7 h LEU 73 N 0.52 0.02 -0.66 1.33 3.38 -1.74 -2.23 115.31 115.93 1it7 h LEU 73 Ca 0.12 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1it7 h LEU 73 Cb 0.35 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1it7 h LEU 73 CO 0.01 0.20 0.39 -0.09 0.09 0.00 0.00 178.44 179.04 1it7 h ARG 74 N -0.16 0.73 -0.40 1.13 2.43 -0.81 0.11 114.38 117.42 1it7 h ARG 74 Ca 0.01 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1it7 h ARG 74 Cb 0.19 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 1it7 h ARG 74 CO -0.00 0.48 0.19 -0.09 -1.51 0.00 0.00 179.97 179.05 1it7 h ARG 75 N 0.75 0.38 -0.39 0.20 2.43 -1.20 -0.32 114.38 116.23 1it7 h ARG 75 Ca 0.28 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.28 1it7 h ARG 75 Cb 0.08 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1it7 h ARG 75 CO -0.13 0.25 -0.34 -0.22 -1.51 0.00 0.00 179.97 178.02 1it7 h LYS 76 N 0.39 0.89 -0.40 0.20 3.64 -0.90 -1.40 116.57 118.99 1it7 h LYS 76 Ca 0.17 -0.44 -0.05 0.00 -1.27 0.00 0.00 60.65 59.06 1it7 h LYS 76 Cb 0.08 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1it7 h LYS 76 CO -0.12 1.09 0.05 0.00 -2.27 0.00 0.00 179.45 178.19 1it7 h ALA 77 N 0.87 1.33 0.00 5.00 0.00 -0.43 -0.17 119.26 125.86 1it7 h ALA 77 Ca 0.07 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1it7 h ALA 77 Cb 0.91 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1it7 h ALA 77 CO 0.08 0.46 -0.39 -0.07 0.00 0.00 0.00 179.25 179.34 1it7 h LEU 78 N 0.60 0.00 0.15 0.00 3.38 -0.94 -1.84 115.31 116.65 1it7 h LEU 78 Ca 0.13 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.85 1it7 h LEU 78 Cb 0.30 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.07 1it7 h LEU 78 CO 0.01 0.32 -1.19 -0.08 0.09 0.00 0.00 178.44 177.58 1it7 h GLU 79 N 0.00 0.31 0.00 1.13 4.57 -0.61 -3.42 114.58 116.55 1it7 h GLU 79 Ca -0.01 -0.53 0.00 0.00 -1.18 0.00 0.00 59.36 57.64 1it7 h GLU 79 Cb 1.25 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 30.04 1it7 h GLU 79 CO 0.04 1.25 -0.15 1.28 -1.18 0.00 0.00 179.01 180.25 1it7 n LEU 80 N -3.97 0.14 0.00 1.64 4.77 -0.13 -5.09 117.00 114.36 1it7 n LEU 80 Ca -0.20 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 1it7 n LEU 80 Cb 0.90 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 1it7 n LEU 80 CO 0.47 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1it7 n GLY 81 N 1.08 -0.64 0.34 -0.72 0.00 -0.69 -3.99 105.19 100.57 1it7 n GLY 81 Ca 0.01 -1.47 0.06 0.00 0.00 0.00 0.00 46.02 44.62 1it7 n GLY 81 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1it7 h ILE 82 N 0.00 1.03 0.31 -0.61 -0.00 -1.34 -0.36 117.51 116.54 1it7 h ILE 82 Ca 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 64.86 64.63 1it7 h ILE 82 Cb 0.00 0.30 -0.02 0.00 -0.00 0.00 0.00 36.82 37.10 1it7 h ILE 82 CO 0.00 0.12 -0.32 0.45 -0.00 0.00 0.00 178.15 178.40 1it7 h HIS 83 N 0.67 -0.86 0.00 0.16 3.86 -1.82 0.28 115.15 117.44 1it7 h HIS 83 Ca 0.27 0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.38 1it7 h HIS 83 Cb 0.21 0.34 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 1it7 h HIS 83 CO -0.00 -0.45 -0.49 0.00 0.86 0.00 0.00 177.93 177.85 1it7 h ARG 84 N -0.66 0.00 -0.63 2.45 2.47 -1.63 0.51 114.38 116.88 1it7 h ARG 84 Ca -0.01 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.62 1it7 h ARG 84 Cb 0.61 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.90 1it7 h ARG 84 CO -0.07 0.49 0.04 1.98 0.56 0.00 0.00 179.97 182.98 1it7 h MET 85 N 0.00 1.09 0.00 0.04 4.05 -0.54 -2.88 114.93 116.69 1it7 h MET 85 Ca -0.00 -0.33 0.00 0.00 -0.28 0.00 0.00 59.70 59.09 1it7 h MET 85 Cb 0.90 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.59 1it7 h MET 85 CO 0.06 1.04 -0.82 1.28 0.23 0.00 0.00 176.91 178.70 1it7 n LEU 86 N -4.20 0.64 -3.47 3.39 4.77 0.93 -4.97 117.00 114.09 1it7 n LEU 86 Ca 0.03 -0.06 -0.20 0.00 -0.03 0.00 0.00 56.01 55.76 1it7 n LEU 86 Cb 0.33 -0.14 0.06 0.00 -2.33 0.00 0.00 43.42 41.34 1it7 n LEU 86 CO 0.44 0.09 0.00 -0.67 -1.33 0.00 0.00 177.39 175.92 1it7 n ASP 87 N -1.77 -4.34 -3.90 -1.43 2.03 0.17 -4.35 116.55 102.97 1it7 n ASP 87 Ca 0.03 -0.78 -0.17 0.00 0.52 0.00 0.00 54.79 54.39 1it7 n ASP 87 Cb 0.39 -4.56 -0.15 0.00 -0.72 0.00 0.00 41.12 36.08 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 -3.46 0.46 -1.35 -0.67 5.04 -0.64 -3.84 117.35 112.89 1it7 s TYR 88 Ca 0.28 -0.08 0.16 0.00 -2.44 0.00 0.00 57.07 54.99 1it7 s TYR 88 Cb -0.06 -0.40 -0.03 0.00 0.35 0.00 0.00 41.96 41.82 1it7 s TYR 88 CO 0.78 -0.09 0.82 0.09 -1.34 0.00 0.00 175.55 175.81 1it7 n ASN 89 N 3.58 1.48 -3.00 4.32 3.02 -1.26 -4.65 115.26 118.75 1it7 n ASN 89 Ca -0.20 -1.24 0.00 0.00 -0.03 0.00 0.00 54.58 53.11 1it7 n ASN 89 Cb 0.54 0.55 0.00 0.00 -0.61 0.00 0.00 39.78 40.26 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 1.18 -0.10 3.65 7.41 0.00 -1.26 -4.98 105.19 111.09 1it7 n GLY 90 Ca 0.06 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 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 0.00 4.77 -0.40 -0.61 1.01 -0.03 -4.95 121.20 120.99 1it7 s ILE 91 Ca 0.00 1.70 -0.11 0.00 0.00 0.00 0.00 60.65 62.25 1it7 s ILE 91 Cb 0.00 -4.20 0.05 0.00 0.01 0.00 0.00 42.46 38.32 1it7 s ILE 91 CO 0.00 -0.14 0.24 -0.63 0.00 0.00 0.00 174.94 174.41 1it7 s ILE 92 N 3.01 4.51 0.27 2.92 1.01 -1.26 -1.25 121.20 130.40 1it7 s ILE 92 Ca 0.38 -1.07 -0.03 0.00 0.00 0.00 0.00 60.65 59.93 1it7 s ILE 92 Cb -0.15 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 1it7 s ILE 92 CO 0.08 -0.37 0.50 -0.70 0.00 0.00 0.00 174.94 174.45 1it7 s GLU 93 N 1.52 3.58 -0.00 2.79 2.12 0.42 -1.55 118.70 127.57 1it7 s GLU 93 Ca 0.02 -0.15 -0.01 0.00 0.36 0.00 0.00 54.97 55.20 1it7 s GLU 93 Cb -0.21 -2.71 -0.00 0.00 0.26 0.00 0.00 34.13 31.47 1it7 s GLU 93 CO 0.05 0.27 0.02 0.54 -0.54 0.00 0.00 175.26 175.60 1it7 s VAL 94 N -2.04 0.03 0.51 3.70 0.11 -0.58 -2.14 120.40 120.00 1it7 s VAL 94 Ca 0.42 -0.27 -0.00 0.00 -2.93 0.00 0.00 61.98 59.19 1it7 s VAL 94 Cb -0.11 -0.12 0.02 0.00 -1.53 0.00 0.00 36.38 34.63 1it7 s VAL 94 CO 0.30 -0.15 0.75 -0.62 -3.33 0.00 0.00 175.10 172.05 1it7 s ASP 95 N -0.44 5.54 0.13 3.54 -1.08 0.12 -3.51 116.67 120.97 1it7 s ASP 95 Ca -0.05 0.21 0.20 0.00 -0.52 0.00 0.00 52.55 52.40 1it7 s ASP 95 Cb -0.03 -1.26 -0.08 0.00 -1.46 0.00 0.00 42.92 40.09 1it7 s ASP 95 CO -0.00 -0.95 0.90 -1.54 0.52 0.00 0.00 175.17 174.10 1it7 n SER 96 N -2.27 0.76 0.00 -0.34 3.41 -1.26 -1.96 113.62 111.97 1it7 n SER 96 Ca 0.05 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 1it7 n SER 96 Cb 0.59 0.49 0.00 0.00 -0.26 0.00 0.00 64.21 65.03 1it7 n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1it7 n GLY 97 N 1.27 1.14 0.31 5.00 0.00 -1.26 -4.25 105.19 107.41 1it7 n GLY 97 Ca -0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 0.03 0.37 1.61 0.02 -1.89 0.18 113.55 113.87 1it7 h SER 98 Ca 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1it7 h SER 98 Cb 0.00 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1it7 h SER 98 CO 0.00 0.02 -0.52 0.15 -1.14 0.00 0.00 176.83 175.34 1it7 h PHE 99 N 0.03 0.20 0.00 3.45 3.57 -1.93 -0.85 116.94 121.40 1it7 h PHE 99 Ca 0.11 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 1it7 h PHE 99 Cb 0.41 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1it7 h PHE 99 CO -0.00 0.65 -0.25 1.96 -2.23 0.00 0.00 178.31 178.44 1it7 h GLN 100 N 0.13 0.00 -0.16 1.11 7.50 -1.41 -2.88 115.11 119.40 1it7 h GLN 100 Ca 0.00 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.07 1it7 h GLN 100 Cb 0.96 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.49 1it7 h GLN 100 CO 0.08 0.25 -0.24 1.25 -1.50 0.00 0.00 178.83 178.67 1it7 h LEU 101 N 0.00 0.49 -2.41 1.46 5.85 -0.47 -0.62 115.31 119.61 1it7 h LEU 101 Ca -0.00 -0.52 -0.00 0.00 0.84 0.00 0.00 57.88 58.19 1it7 h LEU 101 Cb 0.92 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 1it7 h LEU 101 CO 0.03 0.91 -0.02 -0.03 -0.34 0.00 0.00 178.44 178.99 1it7 h MET 102 N 0.08 0.00 0.00 1.25 4.05 -0.99 0.48 114.93 119.80 1it7 h MET 102 Ca 0.02 0.00 -0.35 0.00 -0.28 0.00 0.00 59.70 59.09 1it7 h MET 102 Cb 0.81 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.54 1it7 h MET 102 CO 0.06 0.02 -2.33 1.63 0.23 0.00 0.00 176.91 176.52 1it7 n LYS 103 N -3.28 0.69 0.00 0.39 5.02 -1.12 -4.67 118.16 115.19 1it7 n LYS 103 Ca -0.02 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1it7 n LYS 103 Cb 0.15 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 1it7 n LYS 103 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1it7 n TYR 104 N -2.74 0.00 0.00 2.13 0.53 -0.26 -5.03 117.16 111.79 1it7 n TYR 104 Ca -0.31 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.57 1it7 n TYR 104 Cb 1.12 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 39.43 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 0.80 1.01 3.23 2.72 0.00 0.17 -4.89 105.19 108.23 1it7 n GLY 105 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1it7 n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1it7 s SER 106 N 0.00 2.51 0.07 1.61 1.04 -1.26 -4.92 113.70 112.74 1it7 s SER 106 Ca 0.00 -0.40 0.08 0.00 0.48 0.00 0.00 55.95 56.11 1it7 s SER 106 Cb 0.00 -0.27 -0.03 0.00 0.10 0.00 0.00 66.02 65.82 1it7 s SER 106 CO 0.00 0.25 -0.22 -0.51 0.98 0.00 0.00 173.24 173.74 1it7 s ILE 107 N -0.53 1.78 -1.22 -1.02 2.07 -1.26 -4.86 121.20 116.16 1it7 s ILE 107 Ca 0.08 -1.39 -0.05 0.00 -1.41 0.00 0.00 60.65 57.89 1it7 s ILE 107 Cb -0.08 -1.57 0.20 0.00 0.13 0.00 0.00 42.46 41.13 1it7 s ILE 107 CO -0.01 0.12 2.07 -0.62 -1.91 0.00 0.00 174.94 174.59 1it7 n GLU 108 N 1.49 4.66 -3.63 3.50 4.71 -1.26 -4.85 120.64 125.26 1it7 n GLU 108 Ca -0.18 -3.90 -0.06 0.00 -0.01 0.00 0.00 57.16 53.01 1it7 n GLU 108 Cb 0.53 -2.62 -0.06 0.00 -1.01 0.00 0.00 31.44 28.28 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 -1.91 0.00 0.33 2.62 0.11 -1.26 -5.07 120.40 115.22 1it7 s VAL 109 Ca 0.46 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.45 1it7 s VAL 109 Cb 0.16 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.96 1it7 s VAL 109 CO -0.07 0.00 0.61 -0.94 -3.33 0.00 0.00 175.10 171.37 1it7 s SER 110 N -0.18 6.42 0.16 3.54 1.04 -1.26 -4.94 113.70 118.48 1it7 s SER 110 Ca 0.05 0.77 -0.22 0.00 0.48 0.00 0.00 55.95 57.03 1it7 s SER 110 Cb -0.04 -2.17 0.06 0.00 0.10 0.00 0.00 66.02 63.97 1it7 s SER 110 CO -0.09 -0.28 1.62 -1.13 0.98 0.00 0.00 173.24 174.34 1it7 h ASN 111 N 1.36 -0.87 -0.83 7.02 -0.73 -1.99 -0.52 115.58 119.03 1it7 h ASN 111 Ca -0.48 0.16 0.05 0.00 1.87 0.00 0.00 56.30 57.90 1it7 h ASN 111 Cb 1.19 0.42 -0.06 0.00 0.27 0.00 0.00 38.32 40.15 1it7 h ASN 111 CO 0.65 -0.29 0.52 -0.09 -0.37 0.00 0.00 177.43 177.85 1it7 h ARG 112 N -0.23 0.94 -0.04 6.67 2.43 -1.95 -2.59 114.38 119.61 1it7 h ARG 112 Ca 0.16 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1it7 h ARG 112 Cb 0.49 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1it7 h ARG 112 CO -0.46 0.62 -0.01 0.93 -1.51 0.00 0.00 179.97 179.54 1it7 h GLU 113 N 0.97 0.00 -0.06 0.20 5.08 -1.51 -0.90 114.58 118.36 1it7 h GLU 113 Ca 0.35 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.59 1it7 h GLU 113 Cb 0.10 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1it7 h GLU 113 CO -0.15 0.00 -0.51 -0.84 -1.00 0.00 0.00 179.01 176.52 1it7 h ILE 114 N 0.00 1.36 -0.04 3.13 -0.00 -1.30 -1.18 117.51 119.48 1it7 h ILE 114 Ca 0.02 -1.76 -0.00 0.00 -0.00 0.00 0.00 64.86 63.12 1it7 h ILE 114 Cb 0.03 1.88 -0.00 0.00 -0.00 0.00 0.00 36.82 38.72 1it7 h ILE 114 CO -0.04 0.52 0.02 0.40 -0.00 0.00 0.00 178.15 179.05 1it7 h ILE 115 N 0.13 1.07 -0.26 0.16 2.04 -1.28 0.36 117.51 119.74 1it7 h ILE 115 Ca 0.00 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 1it7 h ILE 115 Cb 0.95 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1it7 h ILE 115 CO 0.07 0.06 0.01 -0.33 0.00 0.00 0.00 178.15 177.96 1it7 h GLU 116 N -0.01 0.38 -0.41 2.37 5.08 -1.03 -1.85 114.58 119.10 1it7 h GLU 116 Ca 0.01 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.17 1it7 h GLU 116 Cb 0.07 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1it7 h GLU 116 CO -0.00 0.41 -0.28 0.35 -1.00 0.00 0.00 179.01 178.49 1it7 h PHE 117 N 0.38 1.08 -0.87 4.33 3.57 -0.43 -1.48 116.94 123.51 1it7 h PHE 117 Ca 0.09 -0.29 0.02 0.00 3.53 0.00 0.00 57.97 61.32 1it7 h PHE 117 Cb 0.24 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 1it7 h PHE 117 CO 0.01 1.10 0.57 1.96 -2.23 0.00 0.00 178.31 179.72 1it7 h GLN 118 N 0.74 1.09 -0.11 1.11 4.20 0.45 -2.02 115.11 120.58 1it7 h GLN 118 Ca 0.08 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1it7 h GLN 118 Cb 0.86 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 1it7 h GLN 118 CO 0.08 0.72 0.01 0.45 -0.67 0.00 0.00 178.83 179.42 1it7 h HIS 119 N 1.12 0.19 -0.44 2.96 3.86 -1.07 -2.97 115.15 118.82 1it7 h HIS 119 Ca 0.33 -0.03 0.08 0.00 -1.16 0.00 0.00 60.37 59.60 1it7 h HIS 119 Cb -0.04 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 1it7 h HIS 119 CO -0.00 0.40 0.30 0.00 0.86 0.00 0.00 177.93 179.48 1it7 h ARG 120 N -0.06 0.23 -0.54 2.45 3.08 -0.58 -2.13 114.38 116.82 1it7 h ARG 120 Ca 0.03 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1it7 h ARG 120 Cb 0.31 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1it7 h ARG 120 CO 0.00 0.15 0.00 0.44 -1.07 0.00 0.00 179.97 179.49 1it7 n ILE 121 N -4.46 0.87 -3.32 2.04 -5.35 -0.89 -4.88 119.36 103.37 1it7 n ILE 121 Ca 0.06 -0.73 -0.16 0.00 -0.27 0.00 0.00 62.75 61.65 1it7 n ILE 121 Cb 0.34 0.24 0.08 0.00 -1.74 0.00 0.00 39.64 38.56 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 1.18 -0.30 3.77 3.28 0.00 -0.80 -1.27 105.19 111.06 1it7 n GLY 122 Ca 0.17 0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 1it7 n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1it7 s VAL 123 N -3.32 3.78 0.01 1.61 1.01 -1.13 -4.66 120.40 117.70 1it7 s VAL 123 Ca 0.07 1.52 -0.20 0.00 0.00 0.00 0.00 61.98 63.37 1it7 s VAL 123 Cb -0.03 -3.86 -0.20 0.00 0.00 0.00 0.00 36.38 32.29 1it7 s VAL 123 CO 0.66 0.16 1.17 0.44 0.00 0.00 0.00 175.10 177.52 1it7 h ASP 124 N 3.07 0.46 -3.52 3.32 3.32 -1.65 -3.45 116.42 117.97 1it7 h ASP 124 Ca -0.47 -0.68 -0.36 0.00 0.02 0.00 0.00 57.03 55.54 1it7 h ASP 124 Cb 1.21 -0.14 -0.33 0.00 0.22 0.00 0.00 39.33 40.29 1it7 h ASP 124 CO 0.64 1.06 -0.75 -0.63 -1.72 0.00 0.00 179.24 177.84 1it7 s ILE 125 N -3.53 0.28 0.52 0.35 1.01 -1.11 -4.15 121.20 114.57 1it7 s ILE 125 Ca -0.14 0.01 0.07 0.00 0.00 0.00 0.00 60.65 60.59 1it7 s ILE 125 Cb 0.04 -0.34 0.07 0.00 0.01 0.00 0.00 42.46 42.23 1it7 s ILE 125 CO 0.79 0.16 0.54 0.61 0.00 0.00 0.00 174.94 177.04 1it7 n GLY 126 N 4.00 2.41 3.31 6.18 0.00 -0.20 -1.52 105.19 119.37 1it7 n GLY 126 Ca -0.26 -2.26 -0.12 0.00 0.00 0.00 0.00 46.02 43.39 1it7 n GLY 126 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1it7 s THR 127 N -2.44 -0.01 0.56 2.61 2.01 -1.23 -0.54 115.64 116.60 1it7 s THR 127 Ca 0.41 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.45 1it7 s THR 127 Cb -0.03 -0.62 0.03 0.00 0.01 0.00 0.00 72.50 71.89 1it7 s THR 127 CO 0.26 0.01 0.79 0.72 -0.69 0.00 0.00 174.62 175.72 1it7 s PHE 128 N 0.69 2.90 -0.58 4.92 -0.12 -1.26 -4.04 117.98 120.48 1it7 s PHE 128 Ca -0.04 0.06 -0.04 0.00 -0.05 0.00 0.00 56.93 56.86 1it7 s PHE 128 Cb -0.05 -2.76 -0.04 0.00 -0.63 0.00 0.00 43.02 39.54 1it7 s PHE 128 CO -0.05 -0.88 1.71 1.28 -0.05 0.00 0.00 175.22 177.23 1it7 n LEU 129 N -2.38 3.15 -4.77 -1.99 4.77 -1.26 -4.68 117.00 109.84 1it7 n LEU 129 Ca 0.07 -2.21 -0.37 0.00 -0.03 0.00 0.00 56.01 53.47 1it7 n LEU 129 Cb 0.60 -0.88 -0.01 0.00 -2.33 0.00 0.00 43.42 40.80 1it7 n LEU 129 CO 0.46 -0.07 0.84 1.51 -1.33 0.00 0.00 177.39 178.80 1it7 s ASP 130 N 4.01 6.20 -0.34 -1.43 1.47 -1.26 -4.85 116.67 120.47 1it7 s ASP 130 Ca 0.26 2.35 -0.16 0.00 1.18 0.00 0.00 52.55 56.17 1it7 s ASP 130 Cb 0.07 -2.61 -0.01 0.00 -0.34 0.00 0.00 42.92 40.03 1it7 s ASP 130 CO -0.02 -0.90 0.41 -0.63 0.68 0.00 0.00 175.17 174.72 1it7 s ILE 131 N -1.50 5.12 -1.26 2.11 1.01 -1.26 -4.68 121.20 120.74 1it7 s ILE 131 Ca 0.62 0.16 -0.17 0.00 0.00 0.00 0.00 60.65 61.26 1it7 s ILE 131 Cb -0.30 -3.86 -0.00 0.00 0.01 0.00 0.00 42.46 38.31 1it7 s ILE 131 CO 0.36 -0.12 2.02 -2.65 0.00 0.00 0.00 174.94 174.55 1it7 n PRO 132 N 5.49 2.56 -1.66 2.79 -0.02 -1.26 -4.83 135.00 138.07 1it7 n PRO 132 Ca -0.08 -2.61 -0.46 0.00 -2.02 0.00 0.00 63.50 58.33 1it7 n PRO 132 Cb 0.49 -3.31 -0.04 0.00 -0.02 0.00 0.00 33.50 30.62 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 5.86 0.38 -1.05 3.45 -1.04 -1.26 -4.78 114.28 115.85 1it7 n THR 133 Ca 0.50 -0.10 -0.30 0.00 -2.04 0.00 0.00 64.05 62.12 1it7 n THR 133 Cb 0.42 -1.41 0.15 0.00 -1.82 0.00 0.00 70.33 67.67 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 0.33 1.03 0.58 -2.82 0.02 -1.26 -4.35 135.00 128.52 1it7 s PRO 134 Ca 0.75 0.97 -0.18 0.00 0.02 0.00 0.00 61.00 62.56 1it7 s PRO 134 Cb -0.70 -1.77 -0.04 0.00 0.02 0.00 0.00 34.50 32.00 1it7 s PRO 134 CO 0.44 -2.44 1.11 -2.14 -0.33 0.00 0.00 177.00 173.64 1it7 s PRO 135 N -4.83 3.22 -1.58 5.54 0.02 -1.26 -3.61 135.00 132.50 1it7 s PRO 135 Ca 0.64 1.51 -0.14 0.00 0.02 0.00 0.00 61.00 63.04 1it7 s PRO 135 Cb -0.20 -2.00 0.10 0.00 0.02 0.00 0.00 34.50 32.43 1it7 s PRO 135 CO 0.58 -0.94 0.84 -0.25 -0.33 0.00 0.00 177.00 176.90 1it7 n ASP 136 N -1.65 -3.56 -4.92 2.53 8.00 -1.26 -4.92 116.55 110.77 1it7 n ASP 136 Ca 0.11 -0.90 -0.26 0.00 0.71 0.00 0.00 54.79 54.45 1it7 n ASP 136 Cb 0.51 -3.37 -0.02 0.00 -0.02 0.00 0.00 41.12 38.22 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 -3.38 3.71 0.01 2.24 0.00 -1.24 -5.00 121.76 118.10 1it7 s ALA 137 Ca 0.59 -0.77 -0.36 0.00 0.00 0.00 0.00 51.96 51.42 1it7 s ALA 137 Cb -0.31 -2.14 -0.15 0.00 0.00 0.00 0.00 23.12 20.52 1it7 s ALA 137 CO 0.87 0.21 1.54 -2.30 0.00 0.00 0.00 175.76 176.08 1it7 n PRO 138 N -1.16 1.51 -0.33 0.00 -0.02 -1.26 -4.73 135.00 129.02 1it7 n PRO 138 Ca -0.04 0.55 0.32 0.00 -2.02 0.00 0.00 63.50 62.31 1it7 n PRO 138 Cb 0.55 -2.25 0.69 0.00 -0.02 0.00 0.00 33.50 32.46 1it7 n PRO 138 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1it7 h ARG 139 N 5.97 0.10 0.15 -0.52 2.43 -1.99 0.29 114.38 120.81 1it7 h ARG 139 Ca -0.47 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1it7 h ARG 139 Cb 1.30 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 1it7 h ARG 139 CO 0.86 0.07 -0.12 1.49 -1.51 0.00 0.00 179.97 180.76 1it7 h GLU 140 N 0.10 -0.27 -0.68 0.20 4.81 -2.00 -1.34 114.58 115.41 1it7 h GLU 140 Ca 0.58 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.75 1it7 h GLU 140 Cb 2.08 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 31.50 1it7 h GLU 140 CO -0.09 -0.18 0.14 0.37 -0.73 0.00 0.00 179.01 178.52 1it7 h GLN 141 N -0.28 1.11 -0.88 1.92 4.15 -0.82 -1.07 115.11 119.25 1it7 h GLN 141 Ca -0.01 -0.28 0.01 0.00 0.77 0.00 0.00 58.65 59.14 1it7 h GLN 141 Cb 0.25 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.75 1it7 h GLN 141 CO -0.01 0.99 0.58 0.00 -1.93 0.00 0.00 178.83 178.47 1it7 h ALA 142 N 1.10 1.37 0.01 3.38 0.00 -1.02 -0.82 119.26 123.28 1it7 h ALA 142 Ca 0.21 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1it7 h ALA 142 Cb 0.40 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1it7 h ALA 142 CO 0.01 0.58 -0.30 0.28 0.00 0.00 0.00 179.25 179.82 1it7 h VAL 143 N 1.19 1.55 -0.23 0.00 2.07 -1.00 -2.16 116.25 117.67 1it7 h VAL 143 Ca 0.32 -2.02 0.03 0.00 0.82 0.00 0.00 66.70 65.85 1it7 h VAL 143 Cb -0.14 2.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.42 1it7 h VAL 143 CO -0.07 0.56 0.02 0.50 0.02 0.00 0.00 177.57 178.60 1it7 h LYS 144 N -0.49 0.10 -0.50 1.57 3.64 -1.09 -1.78 116.57 118.01 1it7 h LYS 144 Ca -0.04 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 1it7 h LYS 144 Cb 1.07 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 1it7 h LYS 144 CO 0.06 0.07 0.13 0.93 -2.27 0.00 0.00 179.45 178.36 1it7 h GLU 145 N 0.10 0.80 -0.54 1.90 5.08 -1.25 -2.93 114.58 117.74 1it7 h GLU 145 Ca 0.11 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1it7 h GLU 145 Cb 0.12 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1it7 h GLU 145 CO -0.16 0.77 0.35 1.25 -1.00 0.00 0.00 179.01 180.21 1it7 h LEU 146 N 0.69 0.58 -1.31 1.33 5.85 -1.09 -0.76 115.31 120.60 1it7 h LEU 146 Ca 0.16 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1it7 h LEU 146 Cb 0.33 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1it7 h LEU 146 CO 0.00 0.41 0.49 -0.33 -0.34 0.00 0.00 178.44 178.67 1it7 h GLU 147 N 0.70 0.88 -0.31 1.25 4.39 -1.24 0.27 114.58 120.52 1it7 h GLU 147 Ca 0.21 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.80 1it7 h GLU 147 Cb -0.03 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.41 1it7 h GLU 147 CO -0.07 0.58 -0.03 0.82 -1.16 0.00 0.00 179.01 179.16 1it7 h ILE 148 N 0.91 1.27 -0.44 3.13 2.04 -1.22 0.31 117.51 123.51 1it7 h ILE 148 Ca 0.29 -1.01 0.08 0.00 1.00 0.00 0.00 64.86 65.22 1it7 h ILE 148 Cb 0.05 1.30 -0.07 0.00 -0.74 0.00 0.00 36.82 37.36 1it7 h ILE 148 CO -0.08 0.33 0.05 0.74 0.00 0.00 0.00 178.15 179.18 1it7 h THR 149 N 0.35 0.71 -0.41 -0.27 2.02 0.35 0.45 112.91 116.12 1it7 h THR 149 Ca 0.08 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 67.14 1it7 h THR 149 Cb 0.48 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1it7 h THR 149 CO 0.02 0.03 -0.01 -0.07 0.37 0.00 0.00 175.52 175.86 1it7 h LEU 150 N 0.17 0.63 -0.18 2.58 3.38 -0.32 0.57 115.31 122.13 1it7 h LEU 150 Ca 0.22 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1it7 h LEU 150 Cb 0.30 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1it7 h LEU 150 CO -0.32 0.71 -0.05 -1.28 0.09 0.00 0.00 178.44 177.58 1it7 h SER 151 N 0.62 0.36 0.26 -0.43 0.87 0.54 -0.30 113.55 115.47 1it7 h SER 151 Ca 0.13 -0.38 -0.03 0.00 -1.23 0.00 0.00 61.79 60.29 1it7 h SER 151 Cb 0.41 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1it7 h SER 151 CO 0.02 0.66 -0.12 0.03 -0.53 0.00 0.00 176.83 176.88 1it7 h ARG 152 N 0.07 0.00 -0.11 2.24 3.08 0.14 -1.80 114.38 118.00 1it7 h ARG 152 Ca 0.05 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 1it7 h ARG 152 Cb 0.50 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 1it7 h ARG 152 CO 0.02 0.12 -0.19 0.00 -1.07 0.00 0.00 179.97 178.85 1it7 h ALA 153 N 1.88 0.17 -0.93 0.04 0.00 -0.25 -1.63 119.26 118.55 1it7 h ALA 153 Ca -0.00 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.56 1it7 h ALA 153 Cb 0.28 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1it7 h ALA 153 CO 0.02 0.10 0.61 0.00 0.00 0.00 0.00 179.25 179.98 1it7 h ARG 154 N -0.10 1.21 -0.20 0.00 3.08 -0.44 0.60 114.38 118.53 1it7 h ARG 154 Ca 0.01 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1it7 h ARG 154 Cb 0.76 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1it7 h ARG 154 CO 0.04 0.80 0.10 1.49 -1.07 0.00 0.00 179.97 181.33 1it7 h GLU 155 N 1.25 0.29 -0.77 0.04 4.81 -1.25 -2.25 114.58 116.69 1it7 h GLU 155 Ca 0.34 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.54 1it7 h GLU 155 Cb -0.13 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.16 1it7 h GLU 155 CO -0.08 0.30 0.51 0.00 -0.73 0.00 0.00 179.01 179.02 1it7 h ALA 156 N 0.97 1.46 0.00 2.92 0.00 -0.48 -0.72 119.26 123.41 1it7 h ALA 156 Ca 0.07 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1it7 h ALA 156 Cb 0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1it7 h ALA 156 CO -0.01 0.49 -0.22 1.49 0.00 0.00 0.00 179.25 181.01 1it7 h GLU 157 N 1.03 0.00 0.02 0.00 4.81 -0.56 -0.49 114.58 119.39 1it7 h GLU 157 Ca 0.29 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.31 1it7 h GLU 157 Cb -0.10 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.30 1it7 h GLU 157 CO -0.06 0.22 -0.80 0.93 -0.73 0.00 0.00 179.01 178.56 1it7 h GLU 158 N 0.00 0.50 0.00 1.92 5.08 -0.56 -3.38 114.58 118.14 1it7 h GLU 158 Ca -0.00 -0.57 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 1it7 h GLU 158 Cb 0.47 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1it7 h GLU 158 CO 0.03 1.20 -1.56 0.44 -1.00 0.00 0.00 179.01 178.12 1it7 n ILE 159 N -4.07 0.01 -1.90 3.13 -5.35 -0.97 -5.00 119.36 105.20 1it7 n ILE 159 Ca -0.11 -0.30 -0.41 0.00 -0.27 0.00 0.00 62.75 61.66 1it7 n ILE 159 Cb 0.77 0.39 -0.01 0.00 -1.74 0.00 0.00 39.64 39.05 1it7 n ILE 159 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 1it7 s LYS 160 N -3.31 4.16 0.00 6.28 -2.85 -0.20 -4.89 119.74 118.93 1it7 s LYS 160 Ca -0.01 2.45 0.00 0.00 -1.00 0.00 0.00 55.97 57.40 1it7 s LYS 160 Cb 0.15 -2.98 0.00 0.00 -2.06 0.00 0.00 37.83 32.94 1it7 s LYS 160 CO 0.89 -0.44 0.64 0.39 0.10 0.00 0.00 175.35 176.93 1it7 n GLU 161 N 0.52 0.77 -4.22 1.78 -0.58 -1.26 -5.02 120.64 112.63 1it7 n GLU 161 Ca 0.01 -0.83 -0.13 0.00 -0.42 0.00 0.00 57.16 55.79 1it7 n GLU 161 Cb 0.40 -0.89 -0.10 0.00 -0.57 0.00 0.00 31.44 30.28 1it7 n GLU 161 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1it7 s ILE 162 N -0.39 0.76 0.36 -3.67 -4.36 -1.26 -5.13 121.20 107.50 1it7 s ILE 162 Ca 0.00 -1.98 -0.28 0.00 -0.26 0.00 0.00 60.65 58.13 1it7 s ILE 162 Cb 0.00 -1.95 -0.11 0.00 1.25 0.00 0.00 42.46 41.65 1it7 s ILE 162 CO 0.00 -0.63 1.47 -2.84 0.24 0.00 0.00 174.94 173.17 1it7 s PRO 163 N -3.87 4.16 0.02 0.37 0.02 -1.26 -4.85 135.00 129.60 1it7 s PRO 163 Ca 0.19 2.50 -0.02 0.00 0.02 0.00 0.00 61.00 63.70 1it7 s PRO 163 Cb 0.05 -3.00 -0.02 0.00 0.02 0.00 0.00 34.50 31.56 1it7 s PRO 163 CO 0.01 -0.48 0.01 -1.64 -0.33 0.00 0.00 177.00 174.56 1it7 s MET 164 N -1.83 0.41 0.03 5.54 -1.94 -1.26 -1.03 119.30 119.22 1it7 s MET 164 Ca 0.53 -0.69 -0.26 0.00 -1.71 0.00 0.00 55.69 53.56 1it7 s MET 164 Cb -0.45 0.15 -0.05 0.00 2.01 0.00 0.00 34.83 36.49 1it7 s MET 164 CO 0.59 -0.08 0.83 -0.80 -0.01 0.00 0.00 175.02 175.55 1it7 s ASN 165 N -1.74 7.26 -0.45 3.03 0.02 0.30 -3.22 114.94 120.13 1it7 s ASN 165 Ca -0.11 1.51 0.03 0.00 -1.02 0.00 0.00 52.86 53.27 1it7 s ASN 165 Cb -0.06 -2.50 0.13 0.00 0.02 0.00 0.00 41.25 38.84 1it7 s ASN 165 CO -0.02 -0.06 0.21 0.00 0.02 0.00 0.00 177.10 177.24 1it7 s ALA 166 N 0.25 2.73 0.21 0.60 0.00 -0.32 -4.08 121.76 121.15 1it7 s ALA 166 Ca 0.42 -2.83 -0.30 0.00 0.00 0.00 0.00 51.96 49.26 1it7 s ALA 166 Cb -0.21 -2.00 -0.08 0.00 0.00 0.00 0.00 23.12 20.83 1it7 s ALA 166 CO 0.24 -1.96 1.13 0.99 0.00 0.00 0.00 175.76 176.16 1it7 s THR 167 N 0.23 3.66 -0.06 0.00 2.01 -1.26 -3.68 115.64 116.55 1it7 s THR 167 Ca 0.16 1.49 -0.23 0.00 0.31 0.00 0.00 61.69 63.42 1it7 s THR 167 Cb -0.24 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 1it7 s THR 167 CO -0.03 0.28 0.68 -0.63 -0.69 0.00 0.00 174.62 174.23 1it7 s ILE 168 N -0.46 5.03 0.00 1.82 1.09 0.33 -4.88 121.20 124.13 1it7 s ILE 168 Ca 0.49 1.40 0.00 0.00 -1.10 0.00 0.00 60.65 61.44 1it7 s ILE 168 Cb -0.31 -4.02 0.00 0.00 -1.06 0.00 0.00 42.46 37.07 1it7 s ILE 168 CO 0.37 0.28 0.00 0.00 -0.10 0.00 0.00 174.94 175.49 1it7 n GLN 169 N 3.61 3.47 0.00 2.79 1.13 -1.26 -1.20 117.38 125.92 1it7 n GLN 169 Ca -0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 1it7 n GLN 169 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.86 1it7 n GLN 169 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1it7 n GLY 170 N 4.34 1.37 7.00 1.08 0.00 -1.26 -4.13 105.19 113.59 1it7 n GLY 170 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 -1.60 1.61 2.88 -1.26 -2.16 113.62 113.09 1it7 n SER 171 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1it7 n SER 171 Cb 0.00 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 63.68 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 2.12 -3.57 2.46 -2.24 -1.26 -4.83 114.28 106.96 1it7 n THR 172 Ca 0.00 -1.08 -0.41 0.00 -2.27 0.00 0.00 64.05 60.29 1it7 n THR 172 Cb 0.00 -0.46 -0.10 0.00 -2.10 0.00 0.00 70.33 67.67 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 -2.21 3.29 0.57 4.78 1.51 -0.92 -4.92 117.35 119.45 1it7 s TYR 173 Ca 0.38 -1.23 0.27 0.00 -1.01 0.00 0.00 57.07 55.47 1it7 s TYR 173 Cb 0.30 -2.80 1.63 0.00 -0.11 0.00 0.00 41.96 40.98 1it7 s TYR 173 CO 0.10 -0.77 2.15 1.79 -1.11 0.00 0.00 175.55 177.71 1it7 h THR 174 N 5.96 0.60 -0.00 -0.71 1.35 -1.88 -0.25 112.91 117.98 1it7 h THR 174 Ca -0.25 0.00 -0.18 0.00 -0.55 0.00 0.00 66.41 65.44 1it7 h THR 174 Cb 1.09 0.91 -0.02 0.00 -1.73 0.00 0.00 68.15 68.40 1it7 h THR 174 CO 0.74 0.00 -0.82 -2.24 -0.25 0.00 0.00 175.52 172.95 1it7 h ASP 175 N 0.00 0.09 0.29 5.36 2.03 -1.94 -1.81 116.42 120.44 1it7 h ASP 175 Ca 0.06 -0.07 -0.19 0.00 -0.73 0.00 0.00 57.03 56.10 1it7 h ASP 175 Cb 0.29 -0.03 -0.00 0.00 -0.83 0.00 0.00 39.33 38.76 1it7 h ASP 175 CO -0.00 0.87 -0.77 -0.07 -1.03 0.00 0.00 179.24 178.23 1it7 h LEU 176 N 0.04 0.47 0.25 0.15 3.38 -1.38 -2.42 115.31 115.81 1it7 h LEU 176 Ca -0.02 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1it7 h LEU 176 Cb 1.44 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1it7 h LEU 176 CO 0.11 1.08 -0.12 0.03 0.09 0.00 0.00 178.44 179.63 1it7 h ARG 177 N 0.26 -0.33 -0.58 1.13 2.47 -1.14 0.85 114.38 117.05 1it7 h ARG 177 Ca -0.04 0.02 0.10 0.00 -1.26 0.00 0.00 59.98 58.80 1it7 h ARG 177 Cb 1.36 0.07 -0.07 0.00 -1.65 0.00 0.00 29.97 29.68 1it7 h ARG 177 CO 0.13 -0.18 0.17 0.00 0.56 0.00 0.00 179.97 180.65 1it7 h ARG 178 N -0.39 0.32 0.06 0.04 3.08 -1.32 0.67 114.38 116.83 1it7 h ARG 178 Ca -0.03 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1it7 h ARG 178 Cb 0.30 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1it7 h ARG 178 CO 0.06 0.21 -0.03 -0.92 -1.07 0.00 0.00 179.97 178.22 1it7 h TYR 179 N 0.33 -0.07 0.08 3.04 3.20 -1.18 -0.30 116.97 122.06 1it7 h TYR 179 Ca 0.29 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.18 1it7 h TYR 179 Cb 0.39 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 1it7 h TYR 179 CO -0.20 -0.04 -0.20 0.00 -1.64 0.00 0.00 178.16 176.08 1it7 h ALA 180 N 0.87 -0.32 -0.21 1.82 0.00 -0.07 -1.23 119.26 120.13 1it7 h ALA 180 Ca -0.01 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1it7 h ALA 180 Cb 0.06 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 1it7 h ALA 180 CO 0.01 -0.72 -0.16 0.00 0.00 0.00 0.00 179.25 178.38 1it7 h ALA 181 N 0.46 -0.02 -0.76 0.00 0.00 -0.74 0.30 119.26 118.51 1it7 h ALA 181 Ca 0.03 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1it7 h ALA 181 Cb 0.40 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1it7 h ALA 181 CO -0.13 -0.59 0.49 -0.09 0.00 0.00 0.00 179.25 178.94 1it7 h ARG 182 N -0.16 0.97 0.14 0.00 2.43 -0.87 0.24 114.38 117.13 1it7 h ARG 182 Ca 0.12 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1it7 h ARG 182 Cb 0.35 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1it7 h ARG 182 CO -0.31 0.64 -0.07 0.00 -1.51 0.00 0.00 179.97 178.72 1it7 h ARG 183 N 1.00 -0.19 0.00 0.20 2.47 -0.70 -2.74 114.38 114.42 1it7 h ARG 183 Ca 0.28 0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.98 1it7 h ARG 183 Cb -0.08 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.28 1it7 h ARG 183 CO -0.07 0.12 -0.15 -0.07 0.56 0.00 0.00 179.97 180.35 1it7 h LEU 184 N -0.50 0.00 -1.27 3.04 -0.00 -0.90 -2.05 115.31 113.63 1it7 h LEU 184 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.85 1it7 h LEU 184 Cb 0.39 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.05 1it7 h LEU 184 CO 0.03 0.15 -0.06 0.28 -0.00 0.00 0.00 178.44 178.84 1it7 h SER 185 N 0.00 0.00 0.04 -0.43 0.02 -0.78 -2.44 113.55 109.96 1it7 h SER 185 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1it7 h SER 185 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1it7 h SER 185 CO 0.02 0.06 -0.13 -1.54 -1.14 0.00 0.00 176.83 174.10 1it7 n SER 186 N -3.18 1.79 -4.99 3.07 3.41 -0.78 -4.90 113.62 108.05 1it7 n SER 186 Ca 0.01 -1.46 -0.19 0.00 -0.26 0.00 0.00 58.87 56.96 1it7 n SER 186 Cb 0.35 0.10 -0.01 0.00 -0.26 0.00 0.00 64.21 64.40 1it7 n SER 186 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1it7 s MET 187 N -2.19 3.17 -1.23 4.33 1.00 -0.92 -5.02 119.30 118.44 1it7 s MET 187 Ca 0.30 -0.95 -0.17 0.00 0.00 0.00 0.00 55.69 54.87 1it7 s MET 187 Cb 0.20 -2.82 0.10 0.00 0.00 0.00 0.00 34.83 32.30 1it7 s MET 187 CO 0.41 0.11 1.60 1.21 0.00 0.00 0.00 175.02 178.35 1it7 s ASN 188 N -4.14 6.86 0.09 3.03 3.04 -1.26 -4.94 114.94 117.61 1it7 s ASN 188 Ca 0.43 -2.47 0.04 0.00 0.04 0.00 0.00 52.86 50.91 1it7 s ASN 188 Cb -0.09 -2.52 -0.03 0.00 -1.54 0.00 0.00 41.25 37.06 1it7 s ASN 188 CO 0.31 -1.09 -0.12 -0.36 -3.04 0.00 0.00 177.10 172.80 1it7 s PHE 189 N 3.54 1.12 -0.10 0.43 0.40 -1.26 -4.91 117.98 117.19 1it7 s PHE 189 Ca 0.49 -0.57 0.20 0.00 -0.60 0.00 0.00 56.93 56.46 1it7 s PHE 189 Cb 0.01 -0.61 -0.29 0.00 0.51 0.00 0.00 43.02 42.64 1it7 s PHE 189 CO 0.03 0.03 0.38 -0.85 0.70 0.00 0.00 175.22 175.51 1it7 n GLU 190 N 0.85 0.67 -4.04 0.44 0.00 -1.20 -4.97 120.64 112.39 1it7 n GLU 190 Ca -0.18 -0.10 -0.14 0.00 0.00 0.00 0.00 57.16 56.74 1it7 n GLU 190 Cb 0.56 -1.55 -0.14 0.00 0.00 0.00 0.00 31.44 30.32 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 -3.13 0.26 -0.57 3.84 1.01 -1.20 -4.20 121.20 117.21 1it7 s ILE 191 Ca -0.08 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.31 1it7 s ILE 191 Cb 0.11 -0.25 0.14 0.00 0.01 0.00 0.00 42.46 42.47 1it7 s ILE 191 CO 0.87 -0.02 0.34 -1.00 0.00 0.00 0.00 174.94 175.14 1it7 s HIS 192 N -0.30 3.28 0.84 3.97 3.76 -0.64 -1.18 115.29 125.03 1it7 s HIS 192 Ca -0.01 -3.05 -0.11 0.00 -0.15 0.00 0.00 55.06 51.74 1it7 s HIS 192 Cb -0.03 -2.93 0.10 0.00 1.11 0.00 0.00 32.58 30.82 1it7 s HIS 192 CO -0.00 -0.76 1.10 -2.14 -0.85 0.00 0.00 174.74 172.09 1it7 s PRO 193 N -0.33 1.71 -0.27 8.40 0.02 -1.24 -2.89 135.00 140.39 1it7 s PRO 193 Ca 0.18 1.08 0.03 0.00 0.02 0.00 0.00 61.00 62.31 1it7 s PRO 193 Cb -0.23 -1.84 0.07 0.00 0.02 0.00 0.00 34.50 32.52 1it7 s PRO 193 CO -0.02 -2.00 -0.08 0.42 -0.33 0.00 0.00 177.00 175.00 1it7 s ILE 194 N -2.88 2.13 0.39 2.83 1.01 0.22 -0.52 121.20 124.39 1it7 s ILE 194 Ca 0.63 -1.73 0.06 0.00 0.00 0.00 0.00 60.65 59.60 1it7 s ILE 194 Cb -0.18 -2.31 0.06 0.00 0.01 0.00 0.00 42.46 40.03 1it7 s ILE 194 CO 0.57 -0.14 0.48 0.61 0.00 0.00 0.00 174.94 176.45 1it7 n GLY 195 N 4.42 2.18 2.86 6.18 0.00 -0.34 -2.86 105.19 117.63 1it7 n GLY 195 Ca -0.11 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.70 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 0.27 2.75 0.08 -0.02 0.00 -1.26 -4.74 105.19 102.26 1it7 n GLY 196 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.00 0.46 -0.21 1.61 0.24 -1.26 -4.28 118.33 112.88 1it7 n VAL 197 Ca 0.00 -0.22 -0.01 0.00 -2.04 0.00 0.00 64.34 62.06 1it7 n VAL 197 Cb 0.00 -0.55 0.05 0.00 -1.47 0.00 0.00 33.84 31.88 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 0.32 -0.32 3.34 2.07 -1.91 0.77 116.25 120.52 1it7 h VAL 198 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1it7 h VAL 198 Cb 0.69 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1it7 h VAL 198 CO 0.00 0.00 0.21 -0.65 0.02 0.00 0.00 177.57 177.15 1it7 h PRO 199 N -0.04 0.38 -0.13 1.57 0.11 -1.98 -1.14 132.00 130.77 1it7 h PRO 199 Ca 0.29 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.35 1it7 h PRO 199 Cb 0.49 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 1it7 h PRO 199 CO -0.66 0.25 -0.02 -0.07 -0.21 0.00 0.00 178.00 177.29 1it7 h LEU 200 N 0.39 0.24 -0.74 2.35 3.38 -1.15 -1.82 115.31 117.95 1it7 h LEU 200 Ca 0.12 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.77 1it7 h LEU 200 Cb 0.02 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1it7 h LEU 200 CO -0.03 0.52 0.48 -0.07 0.09 0.00 0.00 178.44 179.44 1it7 h LEU 201 N -0.05 0.80 -0.76 1.67 3.38 -0.83 0.25 115.31 119.78 1it7 h LEU 201 Ca 0.03 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1it7 h LEU 201 Cb 0.41 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1it7 h LEU 201 CO 0.01 0.56 0.24 -0.33 0.09 0.00 0.00 178.44 179.01 1it7 h GLU 202 N 0.95 1.17 0.00 1.13 5.08 -1.16 -1.75 114.58 120.00 1it7 h GLU 202 Ca 0.29 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1it7 h GLU 202 Cb -0.03 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.05 1it7 h GLU 202 CO -0.09 0.99 0.00 0.43 -1.00 0.00 0.00 179.01 179.34 1it7 n SER 203 N -4.25 0.00 -2.09 1.42 7.64 -0.69 -4.90 113.62 110.75 1it7 n SER 203 Ca 0.06 -0.40 -0.15 0.00 1.01 0.00 0.00 58.87 59.40 1it7 n SER 203 Cb 0.23 -0.20 0.02 0.00 -1.01 0.00 0.00 64.21 63.25 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 -1.20 -1.30 -2.39 1.43 0.53 0.14 -4.91 117.16 109.46 1it7 n TYR 204 Ca 0.17 0.34 -0.41 0.00 -1.02 0.00 0.00 57.90 56.98 1it7 n TYR 204 Cb 0.20 -3.37 0.01 0.00 -1.03 0.00 0.00 39.34 35.15 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 -2.94 4.92 0.27 -0.72 1.74 0.66 -4.73 116.66 115.85 1it7 n ARG 205 Ca -0.08 -4.11 0.12 0.00 -0.77 0.00 0.00 57.85 53.01 1it7 n ARG 205 Cb 0.59 -2.57 0.74 0.00 -1.02 0.00 0.00 32.46 30.20 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 4.57 0.00 -0.32 -1.55 -1.00 -1.81 -2.42 116.94 114.40 1it7 h PHE 206 Ca 0.57 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 61.27 1it7 h PHE 206 Cb 0.36 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 1it7 h PHE 206 CO 1.41 0.10 -0.08 -0.09 -1.61 0.00 0.00 178.31 178.04 1it7 h ARG 207 N 0.00 0.62 -0.36 1.51 1.12 -1.85 -1.06 114.38 114.36 1it7 h ARG 207 Ca -0.00 -0.24 -0.06 0.00 -1.11 0.00 0.00 59.98 58.57 1it7 h ARG 207 Cb 0.24 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.14 1it7 h ARG 207 CO 0.01 0.80 -0.03 -0.44 -3.11 0.00 0.00 179.97 177.21 1it7 h ASP 208 N 0.40 0.54 -0.56 -3.80 3.32 -1.85 -2.08 116.42 112.39 1it7 h ASP 208 Ca 0.08 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 1it7 h ASP 208 Cb 0.58 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1it7 h ASP 208 CO 0.03 0.64 0.07 0.58 -1.72 0.00 0.00 179.24 178.83 1it7 h VAL 209 N 0.54 1.26 -0.07 -1.35 2.07 -1.19 -1.50 116.25 116.01 1it7 h VAL 209 Ca 0.11 -1.01 0.03 0.00 0.82 0.00 0.00 66.70 66.65 1it7 h VAL 209 Cb 0.40 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1it7 h VAL 209 CO 0.02 0.37 -0.11 0.58 0.02 0.00 0.00 177.57 178.44 1it7 h VAL 210 N 0.83 0.70 -0.23 2.57 2.07 -0.61 0.47 116.25 122.05 1it7 h VAL 210 Ca 0.17 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.73 1it7 h VAL 210 Cb 0.45 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1it7 h VAL 210 CO 0.02 0.00 -0.02 0.44 0.02 0.00 0.00 177.57 178.03 1it7 h ASP 211 N -0.16 -0.13 -0.46 0.57 3.32 -1.18 0.40 116.42 118.78 1it7 h ASP 211 Ca 0.06 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.18 1it7 h ASP 211 Cb 0.25 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1it7 h ASP 211 CO -0.16 -0.04 0.30 0.40 -1.72 0.00 0.00 179.24 178.02 1it7 h ILE 212 N 0.05 1.10 -0.21 0.35 2.04 -0.89 -0.83 117.51 119.13 1it7 h ILE 212 Ca 0.11 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1it7 h ILE 212 Cb 0.15 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1it7 h ILE 212 CO -0.20 0.11 0.01 0.58 0.00 0.00 0.00 178.15 178.65 1it7 h VAL 213 N 0.61 1.25 -0.32 1.67 2.07 0.61 -1.75 116.25 120.39 1it7 h VAL 213 Ca 0.17 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 1it7 h VAL 213 Cb -0.06 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1it7 h VAL 213 CO -0.04 0.26 0.10 0.40 0.02 0.00 0.00 177.57 178.30 1it7 h ILE 214 N 0.13 1.20 -0.30 4.57 1.08 -0.15 0.85 117.51 124.90 1it7 h ILE 214 Ca 0.06 -0.66 -0.01 0.00 -0.39 0.00 0.00 64.86 63.86 1it7 h ILE 214 Cb 0.38 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 35.16 1it7 h ILE 214 CO 0.01 0.22 0.16 0.77 -0.69 0.00 0.00 178.15 178.62 1it7 h SER 215 N 0.36 0.36 -0.05 1.72 4.64 -1.14 0.49 113.55 119.92 1it7 h SER 215 Ca 0.10 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.36 1it7 h SER 215 Cb 0.25 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1it7 h SER 215 CO -0.00 0.30 -0.12 0.28 -0.87 0.00 0.00 176.83 176.42 1it7 h SER 216 N 0.42 0.20 -0.66 4.97 0.02 -0.88 -3.14 113.55 114.47 1it7 h SER 216 Ca 0.11 -0.58 0.03 0.00 -0.84 0.00 0.00 61.79 60.51 1it7 h SER 216 Cb 0.02 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 1it7 h SER 216 CO -0.02 0.74 0.44 0.11 -1.14 0.00 0.00 176.83 176.96 1it7 h LYS 217 N -0.33 0.79 -0.39 3.45 1.79 -0.28 -0.31 116.57 121.29 1it7 h LYS 217 Ca 0.00 -0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.45 1it7 h LYS 217 Cb 0.71 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 31.15 1it7 h LYS 217 CO 0.03 0.52 0.20 0.52 -1.08 0.00 0.00 179.45 179.64 1it7 h MET 218 N 0.81 0.40 0.00 3.15 2.86 -0.91 -2.97 114.93 118.28 1it7 h MET 218 Ca 0.26 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.85 1it7 h MET 218 Cb 0.03 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 1it7 h MET 218 CO -0.07 0.27 -0.53 0.00 1.06 0.00 0.00 176.91 177.64 1it7 h ALA 219 N 1.19 0.76 -2.64 6.32 0.00 -1.42 -3.47 119.26 120.00 1it7 h ALA 219 Ca 0.16 -0.14 -0.50 0.00 0.00 0.00 0.00 54.91 54.44 1it7 h ALA 219 Cb 0.05 0.01 0.04 0.00 0.00 0.00 0.00 17.79 17.90 1it7 h ALA 219 CO -0.10 0.17 0.46 -0.51 0.00 0.00 0.00 179.25 179.27 1it7 s LEU 220 N -5.92 4.14 0.07 0.00 1.43 -0.16 -4.00 118.68 114.23 1it7 s LEU 220 Ca 0.03 2.22 -0.31 0.00 -1.03 0.00 0.00 54.13 55.04 1it7 s LEU 220 Cb 0.07 -4.13 -0.06 0.00 0.03 0.00 0.00 46.19 42.10 1it7 s LEU 220 CO 0.73 -0.65 1.25 0.00 0.23 0.00 0.00 176.35 177.91 1it7 s ARG 221 N -2.45 4.40 0.32 1.70 1.70 -1.26 -4.93 118.95 118.43 1it7 s ARG 221 Ca 0.59 1.85 0.08 0.00 -0.47 0.00 0.00 55.73 57.77 1it7 s ARG 221 Cb -0.27 -3.33 0.80 0.00 -0.57 0.00 0.00 34.95 31.58 1it7 s ARG 221 CO 0.33 -0.31 1.78 -1.35 -1.08 0.00 0.00 175.30 174.67 1it7 h PRO 222 N 6.84 0.69 0.00 3.89 0.11 -1.93 -3.16 132.00 138.44 1it7 h PRO 222 Ca -0.41 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1it7 h PRO 222 Cb 1.21 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1it7 h PRO 222 CO 0.83 0.45 0.00 -0.40 -0.21 0.00 0.00 178.00 178.67 1it7 n ASP 223 N -4.74 0.00 -4.51 -2.05 5.75 -1.26 -4.75 116.55 105.00 1it7 n ASP 223 Ca 0.23 -0.83 -0.33 0.00 -0.01 0.00 0.00 54.79 53.85 1it7 n ASP 223 Cb 0.61 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.57 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 -2.00 2.89 0.59 0.11 0.52 -1.20 -4.77 118.95 115.10 1it7 s ARG 224 Ca 0.20 -0.61 -0.20 0.00 -0.52 0.00 0.00 55.73 54.61 1it7 s ARG 224 Cb 0.09 -2.57 -0.04 0.00 0.52 0.00 0.00 34.95 32.95 1it7 s ARG 224 CO 0.16 0.53 1.18 -2.30 0.02 0.00 0.00 175.30 174.88 1it7 n PRO 225 N 2.62 1.22 -5.02 3.54 -0.02 -1.26 -4.81 135.00 131.27 1it7 n PRO 225 Ca -0.18 0.46 -0.32 0.00 -2.02 0.00 0.00 63.50 61.44 1it7 n PRO 225 Cb 0.53 -2.38 -0.15 0.00 -0.02 0.00 0.00 33.50 31.47 1it7 n PRO 225 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1it7 s VAL 226 N -1.40 2.58 -0.12 -1.45 1.01 -1.26 -1.62 120.40 118.14 1it7 s VAL 226 Ca 0.76 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.91 1it7 s VAL 226 Cb -0.41 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 33.95 1it7 s VAL 226 CO 0.46 0.55 -0.21 -2.28 0.00 0.00 0.00 175.10 173.62 1it7 s HIS 227 N 0.09 2.64 -0.64 5.22 5.04 -1.14 -0.44 115.29 126.06 1it7 s HIS 227 Ca -0.08 -1.09 -0.16 0.00 -1.54 0.00 0.00 55.06 52.19 1it7 s HIS 227 Cb -0.15 -1.77 0.15 0.00 0.04 0.00 0.00 32.58 30.85 1it7 s HIS 227 CO 0.05 -0.46 0.62 -1.17 -2.34 0.00 0.00 174.74 171.44 1it7 s LEU 228 N 0.52 6.24 0.13 8.88 2.96 -0.40 0.70 118.68 137.72 1it7 s LEU 228 Ca -0.13 -2.02 -0.34 0.00 -0.22 0.00 0.00 54.13 51.42 1it7 s LEU 228 Cb -0.17 -2.22 -0.13 0.00 0.50 0.00 0.00 46.19 44.16 1it7 s LEU 228 CO 0.05 -0.81 1.64 0.49 -1.32 0.00 0.00 176.35 176.39 1it7 n PHE 229 N 5.02 2.32 0.00 5.38 0.99 -1.13 -2.23 117.46 127.81 1it7 n PHE 229 Ca -0.04 0.20 0.00 0.00 -0.00 0.00 0.00 57.45 57.61 1it7 n PHE 229 Cb 0.43 -2.57 0.00 0.00 -1.00 0.00 0.00 39.48 36.33 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 3.61 2.65 3.57 1.37 0.00 -1.26 -4.41 105.19 110.71 1it7 n GLY 230 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.88 2.72 -0.32 4.61 0.00 -0.95 -4.64 121.76 120.30 1it7 s ALA 231 Ca 0.00 -2.35 0.11 0.00 0.00 0.00 0.00 51.96 49.72 1it7 s ALA 231 Cb 0.00 -4.57 0.27 0.00 0.00 0.00 0.00 23.12 18.82 1it7 s ALA 231 CO 0.00 -3.74 1.20 0.41 0.00 0.00 0.00 175.76 173.63 1it7 n GLY 232 N 6.45 3.61 3.26 0.00 0.00 -1.08 -3.69 105.19 113.73 1it7 n GLY 232 Ca 0.38 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.85 2.84 0.41 1.61 5.04 -1.26 -4.67 115.29 117.41 1it7 s HIS 233 Ca 0.23 -1.10 0.32 0.00 -1.54 0.00 0.00 55.06 52.97 1it7 s HIS 233 Cb 0.17 -1.96 1.38 0.00 0.04 0.00 0.00 32.58 32.22 1it7 s HIS 233 CO 0.07 -0.54 1.41 -2.30 -2.34 0.00 0.00 174.74 171.03 1it7 n PRO 234 N 4.35 -0.03 0.19 2.88 -0.02 -1.26 -1.96 135.00 139.16 1it7 n PRO 234 Ca -0.19 1.11 0.18 0.00 -2.02 0.00 0.00 63.50 62.58 1it7 n PRO 234 Cb 0.51 -2.23 0.77 0.00 -0.02 0.00 0.00 33.50 32.53 1it7 n PRO 234 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1it7 h ILE 235 N 0.00 0.23 0.00 4.25 2.10 -1.78 -2.53 117.51 119.79 1it7 h ILE 235 Ca 0.80 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.74 1it7 h ILE 235 Cb 2.70 0.66 0.00 0.00 -1.09 0.00 0.00 36.82 39.09 1it7 h ILE 235 CO -0.35 0.00 -1.04 1.33 -1.08 0.00 0.00 178.15 177.01 1it7 n VAL 236 N -3.39 0.00 -0.21 2.19 0.24 -0.83 -4.72 118.33 111.61 1it7 n VAL 236 Ca 0.03 -0.23 -0.09 0.00 -2.04 0.00 0.00 64.34 62.02 1it7 n VAL 236 Cb 0.52 0.68 -0.04 0.00 -1.47 0.00 0.00 33.84 33.53 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 -1.31 -0.46 6.34 0.05 -1.60 0.20 116.94 120.15 1it7 h PHE 237 Ca 0.00 0.08 0.05 0.00 3.82 0.00 0.00 57.97 61.93 1it7 h PHE 237 Cb 0.46 0.66 -0.05 0.00 2.00 0.00 0.00 35.95 39.01 1it7 h PHE 237 CO 0.00 -0.43 0.18 0.00 -0.18 0.00 0.00 178.31 177.89 1it7 h ALA 238 N 0.59 0.57 0.26 2.45 0.00 -1.85 -0.35 119.26 120.93 1it7 h ALA 238 Ca 0.17 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1it7 h ALA 238 Cb 0.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1it7 h ALA 238 CO -0.69 -0.20 -0.12 1.25 0.00 0.00 0.00 179.25 179.49 1it7 h LEU 239 N 0.37 -0.29 -0.49 0.00 5.85 -1.71 -2.31 115.31 116.73 1it7 h LEU 239 Ca 0.22 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.84 1it7 h LEU 239 Cb 0.19 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 1it7 h LEU 239 CO -0.20 0.02 0.16 0.00 -0.34 0.00 0.00 178.44 178.07 1it7 h ALA 240 N 0.03 0.59 -0.66 1.25 0.00 -0.85 -1.62 119.26 117.99 1it7 h ALA 240 Ca -0.04 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1it7 h ALA 240 Cb 0.44 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1it7 h ALA 240 CO 0.06 -0.24 0.34 0.28 0.00 0.00 0.00 179.25 179.69 1it7 h VAL 241 N 0.32 1.21 0.00 0.00 2.07 -1.06 -1.00 116.25 117.78 1it7 h VAL 241 Ca 0.24 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1it7 h VAL 241 Cb 0.27 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1it7 h VAL 241 CO -0.26 0.24 0.00 0.00 0.02 0.00 0.00 177.57 177.57 1it7 h ALA 242 N 1.45 1.00 0.00 1.67 0.00 -0.71 -0.78 119.26 121.89 1it7 h ALA 242 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1it7 h ALA 242 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1it7 h ALA 242 CO -0.03 0.00 -0.71 -1.33 0.00 0.00 0.00 179.25 177.17 1it7 n MET 243 N -2.69 0.13 0.00 0.00 2.81 -0.44 -1.80 117.12 115.13 1it7 n MET 243 Ca -0.00 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 1it7 n MET 243 Cb 0.18 -1.56 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 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 1.44 1.36 3.73 3.03 0.00 -0.30 -4.79 105.19 109.65 1it7 n GLY 244 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 4.43 -0.09 1.61 1.01 -0.85 -4.60 120.40 119.91 1it7 s VAL 245 Ca 0.00 2.03 0.12 0.00 0.00 0.00 0.00 61.98 64.13 1it7 s VAL 245 Cb 0.00 -4.30 -0.18 0.00 0.00 0.00 0.00 36.38 31.91 1it7 s VAL 245 CO 0.00 0.32 0.13 0.47 0.00 0.00 0.00 175.10 176.01 1it7 n ASP 246 N 2.73 1.84 -4.17 3.32 8.00 0.42 -4.37 116.55 124.32 1it7 n ASP 246 Ca 0.02 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.31 1it7 n ASP 246 Cb 0.49 1.07 -0.13 0.00 -0.02 0.00 0.00 41.12 42.53 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 -4.63 2.18 0.04 0.64 1.43 -0.09 -1.69 118.68 116.56 1it7 s LEU 247 Ca -0.06 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 1it7 s LEU 247 Cb 0.05 -0.67 -0.03 0.00 0.03 0.00 0.00 46.19 45.58 1it7 s LEU 247 CO 0.54 0.05 -0.05 -0.36 0.23 0.00 0.00 176.35 176.76 1it7 s PHE 248 N -0.87 0.51 0.04 0.29 0.40 -0.73 -1.27 117.98 116.35 1it7 s PHE 248 Ca 0.03 -0.64 0.05 0.00 -0.60 0.00 0.00 56.93 55.76 1it7 s PHE 248 Cb -0.08 -0.33 -0.02 0.00 0.51 0.00 0.00 43.02 43.10 1it7 s PHE 248 CO 0.01 -0.18 -0.14 0.16 0.70 0.00 0.00 175.22 175.78 1it7 s ASP 249 N -1.89 1.60 -0.04 1.36 1.47 -1.24 0.25 116.67 118.17 1it7 s ASP 249 Ca -0.07 -0.47 0.01 0.00 1.18 0.00 0.00 52.55 53.19 1it7 s ASP 249 Cb -0.06 -0.09 0.02 0.00 -0.34 0.00 0.00 42.92 42.45 1it7 s ASP 249 CO -0.02 0.01 -0.02 -0.55 0.68 0.00 0.00 175.17 175.27 1it7 s SER 250 N -1.19 0.77 -0.01 2.11 0.15 -0.71 -2.63 113.70 112.19 1it7 s SER 250 Ca 0.01 -0.08 0.04 0.00 0.70 0.00 0.00 55.95 56.62 1it7 s SER 250 Cb -0.08 -0.34 -0.06 0.00 -1.71 0.00 0.00 66.02 63.83 1it7 s SER 250 CO 0.01 -0.09 0.08 0.00 1.20 0.00 0.00 173.24 174.45 1it7 n ALA 251 N 4.20 2.13 0.26 5.45 0.00 -1.26 -0.00 120.51 131.28 1it7 n ALA 251 Ca -0.24 -0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.19 1it7 n ALA 251 Cb 0.51 -0.11 0.68 0.00 0.00 0.00 0.00 19.45 20.52 1it7 n ALA 251 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1it7 h SER 252 N 0.00 0.00 -0.97 0.00 4.64 -1.93 -0.89 113.55 114.41 1it7 h SER 252 Ca -0.01 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.40 1it7 h SER 252 Cb 0.27 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.29 1it7 h SER 252 CO 0.00 0.09 0.62 0.10 -0.87 0.00 0.00 176.83 176.78 1it7 h TYR 253 N 0.00 1.11 0.11 4.77 -0.00 -1.83 0.41 116.97 121.55 1it7 h TYR 253 Ca -0.00 0.03 -0.27 0.00 0.00 0.00 0.00 58.73 58.49 1it7 h TYR 253 Cb 0.20 -0.36 -0.00 0.00 0.00 0.00 0.00 36.73 36.56 1it7 h TYR 253 CO 0.00 0.53 -1.35 0.00 -0.00 0.00 0.00 178.16 177.34 1it7 h ALA 254 N 1.51 0.17 -0.53 0.10 0.00 -1.67 -3.18 119.26 115.65 1it7 h ALA 254 Ca 0.44 -1.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.22 1it7 h ALA 254 Cb 0.30 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1it7 h ALA 254 CO -0.19 0.79 0.06 -0.07 0.00 0.00 0.00 179.25 179.84 1it7 h LEU 255 N -0.35 0.81 -0.44 0.00 3.38 -1.00 -1.89 115.31 115.83 1it7 h LEU 255 Ca -0.29 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.42 1it7 h LEU 255 Cb 1.72 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.24 1it7 h LEU 255 CO 0.05 0.84 -0.02 1.88 0.09 0.00 0.00 178.44 181.29 1it7 h TYR 256 N 0.81 0.87 -0.91 1.13 0.99 -0.33 -2.98 116.97 116.55 1it7 h TYR 256 Ca 0.17 -0.16 0.07 0.00 2.00 0.00 0.00 58.73 60.81 1it7 h TYR 256 Cb 0.39 -0.22 -0.06 0.00 1.00 0.00 0.00 36.73 37.84 1it7 h TYR 256 CO 0.02 0.85 0.59 0.00 -0.00 0.00 0.00 178.16 179.63 1it7 h ALA 257 N 0.90 1.52 0.00 3.88 0.00 -1.42 0.29 119.26 124.43 1it7 h ALA 257 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1it7 h ALA 257 Cb 0.52 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1it7 h ALA 257 CO 0.03 0.34 0.00 1.63 0.00 0.00 0.00 179.25 181.25 1it7 n LYS 258 N -4.49 0.14 -0.26 0.00 5.02 -0.75 -2.22 118.16 115.59 1it7 n LYS 258 Ca 0.14 0.11 0.06 0.00 -2.02 0.00 0.00 58.31 56.60 1it7 n LYS 258 Cb 0.21 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 33.90 1it7 n LYS 258 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1it7 n ASP 259 N -1.40 3.20 -3.79 4.39 2.03 0.73 -4.95 116.55 116.76 1it7 n ASP 259 Ca 0.07 -2.40 -0.28 0.00 0.52 0.00 0.00 54.79 52.70 1it7 n ASP 259 Cb 0.22 -0.34 0.04 0.00 -0.72 0.00 0.00 41.12 40.32 1it7 n ASP 259 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1it7 n ASP 260 N 0.03 -5.24 -4.62 1.67 8.00 -0.80 -4.88 116.55 110.70 1it7 n ASP 260 Ca 0.15 -0.69 -0.34 0.00 0.71 0.00 0.00 54.79 54.61 1it7 n ASP 260 Cb 0.59 -4.17 -0.10 0.00 -0.02 0.00 0.00 41.12 37.42 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 -6.50 3.06 -0.16 -1.24 0.52 0.49 -0.96 118.95 114.15 1it7 s ARG 261 Ca 0.63 -0.46 0.02 0.00 -0.52 0.00 0.00 55.73 55.39 1it7 s ARG 261 Cb -0.31 -2.77 0.01 0.00 0.52 0.00 0.00 34.95 32.41 1it7 s ARG 261 CO 0.78 0.61 -0.21 -0.47 0.02 0.00 0.00 175.30 176.03 1it7 s TYR 262 N -0.63 2.73 0.40 -0.53 5.04 0.68 -3.80 117.35 121.23 1it7 s TYR 262 Ca 0.10 -1.46 -0.17 0.00 -2.44 0.00 0.00 57.07 53.11 1it7 s TYR 262 Cb -0.12 -1.87 -0.09 0.00 0.35 0.00 0.00 41.96 40.23 1it7 s TYR 262 CO 0.02 -0.69 0.85 -1.64 -1.34 0.00 0.00 175.55 172.75 1it7 s MET 263 N 1.03 4.04 0.03 4.97 -1.94 -1.26 -1.20 119.30 124.97 1it7 s MET 263 Ca -0.02 0.83 -0.08 0.00 -1.71 0.00 0.00 55.69 54.71 1it7 s MET 263 Cb -0.14 -2.30 -0.00 0.00 2.01 0.00 0.00 34.83 34.40 1it7 s MET 263 CO -0.07 0.00 0.16 0.99 -0.01 0.00 0.00 175.02 176.10 1it7 s THR 264 N -2.20 0.11 0.66 2.05 2.01 -0.10 -4.90 115.64 113.28 1it7 s THR 264 Ca 0.57 -0.90 0.43 0.00 0.31 0.00 0.00 61.69 62.10 1it7 s THR 264 Cb -0.10 -0.82 0.44 0.00 0.01 0.00 0.00 72.50 72.02 1it7 s THR 264 CO 0.20 -0.50 2.35 -0.65 -0.69 0.00 0.00 174.62 175.34 1it7 h PRO 265 N 3.65 0.00 -0.01 4.92 0.11 -1.91 -1.85 132.00 136.91 1it7 h PRO 265 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1it7 h PRO 265 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1it7 h PRO 265 CO 0.47 0.00 -0.73 0.39 -0.21 0.00 0.00 178.00 177.92 1it7 n GLU 266 N -3.15 0.54 -0.07 1.05 4.71 -1.26 -3.79 120.64 118.67 1it7 n GLU 266 Ca -0.03 -0.44 0.00 0.00 -0.01 0.00 0.00 57.16 56.68 1it7 n GLU 266 Cb 0.08 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.02 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 1.46 -0.19 3.20 0.62 0.00 -0.69 -4.70 105.19 104.89 1it7 n GLY 267 Ca 0.07 -0.99 -0.21 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.98 1.30 0.03 2.61 2.01 -1.26 -0.92 115.64 115.44 1it7 s THR 268 Ca 0.00 -1.27 0.02 0.00 0.31 0.00 0.00 61.69 60.75 1it7 s THR 268 Cb 0.00 -1.20 -0.02 0.00 0.01 0.00 0.00 72.50 71.29 1it7 s THR 268 CO 0.00 -0.08 -0.07 -0.54 -0.69 0.00 0.00 174.62 173.23 1it7 s LYS 269 N -1.56 0.52 0.09 4.92 1.02 -0.34 -4.98 119.74 119.41 1it7 s LYS 269 Ca 0.02 -0.66 -0.26 0.00 0.02 0.00 0.00 55.97 55.09 1it7 s LYS 269 Cb -0.09 -0.33 -0.06 0.00 -0.52 0.00 0.00 37.83 36.83 1it7 s LYS 269 CO 0.02 0.07 0.80 1.03 -0.92 0.00 0.00 175.35 176.34 1it7 s ARG 270 N -1.31 4.55 0.40 1.68 0.52 -1.26 -0.23 118.95 123.29 1it7 s ARG 270 Ca -0.08 1.14 0.13 0.00 -0.52 0.00 0.00 55.73 56.41 1it7 s ARG 270 Cb -0.09 -3.33 0.95 0.00 0.52 0.00 0.00 34.95 33.00 1it7 s ARG 270 CO 0.00 0.36 1.90 1.25 0.02 0.00 0.00 175.30 178.83 1it7 h LEU 271 N 5.25 0.50 0.00 2.53 5.85 -1.39 0.10 115.31 128.16 1it7 h LEU 271 Ca -0.45 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1it7 h LEU 271 Cb 1.21 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1it7 h LEU 271 CO 0.70 0.26 0.00 -0.90 -0.34 0.00 0.00 178.44 178.15 1it7 n ASP 272 N -4.51 0.00 -0.19 1.25 5.75 -1.26 -2.21 116.55 115.37 1it7 n ASP 272 Ca 0.16 -0.76 0.02 0.00 -0.01 0.00 0.00 54.79 54.19 1it7 n ASP 272 Cb 0.50 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.63 1it7 n ASP 272 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1it7 n GLU 273 N -0.99 2.42 -3.56 0.11 0.28 0.35 -4.99 120.64 114.26 1it7 n GLU 273 Ca 0.18 -1.52 -0.37 0.00 -0.16 0.00 0.00 57.16 55.28 1it7 n GLU 273 Cb 0.08 -1.08 -0.09 0.00 1.43 0.00 0.00 31.44 31.78 1it7 n GLU 273 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1it7 s LEU 274 N -0.89 4.11 -0.05 -1.84 1.43 -0.94 -4.91 118.68 115.59 1it7 s LEU 274 Ca 0.07 0.23 0.19 0.00 -1.03 0.00 0.00 54.13 53.59 1it7 s LEU 274 Cb 0.04 -2.24 -0.29 0.00 0.03 0.00 0.00 46.19 43.72 1it7 s LEU 274 CO 0.05 0.00 0.37 0.47 0.23 0.00 0.00 176.35 177.47 1it7 n ASP 275 N 4.46 0.55 -3.97 2.29 10.43 -1.26 -4.65 116.55 124.40 1it7 n ASP 275 Ca -0.13 0.00 -0.08 0.00 2.57 0.00 0.00 54.79 57.15 1it7 n ASP 275 Cb 0.52 1.74 -0.09 0.00 1.84 0.00 0.00 41.12 45.12 1it7 n ASP 275 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1it7 s TYR 276 N -3.20 0.30 -0.44 1.24 1.51 -1.26 -4.76 117.35 110.74 1it7 s TYR 276 Ca -0.07 -0.72 -0.14 0.00 -1.01 0.00 0.00 57.07 55.12 1it7 s TYR 276 Cb 0.11 -0.21 0.06 0.00 -0.11 0.00 0.00 41.96 41.81 1it7 s TYR 276 CO 0.80 -0.41 0.33 -0.06 -1.11 0.00 0.00 175.55 175.10 1it7 s PHE 277 N -3.37 3.26 -1.58 2.71 0.08 -1.26 -4.91 117.98 112.91 1it7 s PHE 277 Ca 0.02 -0.97 -0.10 0.00 0.12 0.00 0.00 56.93 55.99 1it7 s PHE 277 Cb 0.03 -2.94 -0.05 0.00 -0.57 0.00 0.00 43.02 39.49 1it7 s PHE 277 CO -0.08 -0.75 2.82 -0.35 -0.10 0.00 0.00 175.22 176.76 1it7 n PRO 278 N 5.12 3.72 -3.59 0.24 -0.04 -1.26 -4.79 135.00 134.40 1it7 n PRO 278 Ca -0.12 -2.39 -0.09 0.00 -0.04 0.00 0.00 63.50 60.86 1it7 n PRO 278 Cb 0.44 -2.83 -0.02 0.00 -0.04 0.00 0.00 33.50 31.05 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 -0.39 1.17 -4.55 0.00 7.64 -1.26 -4.51 113.62 111.70 1it7 n SER 280 Ca -0.11 -2.10 -0.29 0.00 1.01 0.00 0.00 58.87 57.38 1it7 n SER 280 Cb 0.62 -0.17 0.22 0.00 -1.01 0.00 0.00 64.21 63.87 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 -2.37 0.09 0.04 0.00 0.11 -1.98 0.34 132.00 128.22 1it7 h PRO 282 Ca -0.56 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.54 1it7 h PRO 282 Cb 1.31 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1it7 h PRO 282 CO 0.49 0.06 -0.02 0.28 -0.21 0.00 0.00 178.00 178.60 1it7 h VAL 283 N 0.09 0.93 0.00 3.15 2.07 -1.91 -3.35 116.25 117.23 1it7 h VAL 283 Ca 0.82 -1.59 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 1it7 h VAL 283 Cb 2.43 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 33.91 1it7 h VAL 283 CO -0.52 0.30 -0.21 0.00 0.02 0.00 0.00 177.57 177.16 1it7 h SER 285 N 0.00 0.00 0.00 0.00 4.64 -0.52 -3.31 113.55 114.37 1it7 h SER 285 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 1it7 h SER 285 Cb 0.57 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1it7 h SER 285 CO 0.03 0.25 -1.38 2.29 -0.87 0.00 0.00 176.83 177.15 1it7 n LYS 286 N -3.58 0.92 -3.61 4.77 2.85 -1.10 -5.06 118.16 113.34 1it7 n LYS 286 Ca -0.01 -0.05 -0.24 0.00 -1.05 0.00 0.00 58.31 56.96 1it7 n LYS 286 Cb 0.39 -1.18 0.01 0.00 -0.65 0.00 0.00 35.03 33.60 1it7 n LYS 286 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1it7 s TYR 287 N -2.43 1.64 0.06 5.58 4.12 -0.36 -5.14 117.35 120.83 1it7 s TYR 287 Ca -0.03 -0.78 0.02 0.00 0.02 0.00 0.00 57.07 56.30 1it7 s TYR 287 Cb 0.04 -2.02 -0.03 0.00 -1.52 0.00 0.00 41.96 38.43 1it7 s TYR 287 CO 0.31 -0.65 -0.08 -0.08 0.02 0.00 0.00 175.55 175.07 1it7 s THR 288 N -2.72 0.62 0.15 -0.71 -1.32 -1.26 -4.76 115.64 105.63 1it7 s THR 288 Ca 0.43 -1.30 -0.17 0.00 -1.21 0.00 0.00 61.69 59.44 1it7 s THR 288 Cb -0.03 -0.89 0.01 0.00 -1.51 0.00 0.00 72.50 70.07 1it7 s THR 288 CO 0.27 -0.49 1.73 -0.65 -2.21 0.00 0.00 174.62 173.27 1it7 h PRO 289 N 4.12 0.17 0.00 7.08 0.11 -1.86 0.78 132.00 142.40 1it7 h PRO 289 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1it7 h PRO 289 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1it7 h PRO 289 CO 0.46 0.11 0.00 -0.56 -0.21 0.00 0.00 178.00 177.81 1it7 h GLN 290 N 0.18 0.00 0.00 1.05 -0.00 -1.88 -1.67 115.11 112.79 1it7 h GLN 290 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.79 1it7 h GLN 290 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.63 1it7 h GLN 290 CO -0.18 0.00 -0.25 0.93 -0.00 0.00 0.00 178.83 179.32 1it7 h GLU 291 N 0.00 0.00 -0.92 0.06 5.08 -1.68 -3.37 114.58 113.75 1it7 h GLU 291 Ca 0.00 0.00 0.26 0.00 -1.00 0.00 0.00 59.36 58.62 1it7 h GLU 291 Cb 0.27 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.36 1it7 h GLU 291 CO 0.00 0.00 0.16 1.25 -1.00 0.00 0.00 179.01 179.42 1it7 h LEU 292 N -0.94 -0.20 -2.20 1.33 7.12 -0.83 0.34 115.31 119.92 1it7 h LEU 292 Ca 0.00 0.24 0.06 0.00 0.13 0.00 0.00 57.88 58.31 1it7 h LEU 292 Cb 0.25 0.37 -0.01 0.00 -0.53 0.00 0.00 40.66 40.74 1it7 h LEU 292 CO 0.00 -0.27 0.23 -0.09 -0.13 0.00 0.00 178.44 178.19 1it7 h ARG 293 N 0.10 0.00 -0.02 1.25 2.43 -1.48 -1.72 114.38 114.94 1it7 h ARG 293 Ca 0.59 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.76 1it7 h ARG 293 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1it7 h ARG 293 CO -0.78 0.00 -0.29 0.39 -1.51 0.00 0.00 179.97 177.78 1it7 n GLU 294 N -3.75 1.61 -1.78 0.20 4.71 0.12 -5.00 120.64 116.75 1it7 n GLU 294 Ca 0.02 -1.32 -0.30 0.00 -0.01 0.00 0.00 57.16 55.55 1it7 n GLU 294 Cb 0.36 -1.47 0.05 0.00 -1.01 0.00 0.00 31.44 29.36 1it7 n GLU 294 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 1it7 s MET 295 N -2.30 2.86 0.35 3.49 -1.94 -0.65 -5.00 119.30 116.12 1it7 s MET 295 Ca 0.22 0.61 -0.29 0.00 -1.71 0.00 0.00 55.69 54.52 1it7 s MET 295 Cb 0.19 -2.01 -0.11 0.00 2.01 0.00 0.00 34.83 34.91 1it7 s MET 295 CO 0.47 -1.06 1.53 -2.14 -0.01 0.00 0.00 175.02 173.80 1it7 s PRO 296 N -5.25 4.10 0.25 2.03 0.02 -1.26 -4.69 135.00 130.20 1it7 s PRO 296 Ca 0.58 2.59 -0.05 0.00 0.02 0.00 0.00 61.00 64.14 1it7 s PRO 296 Cb -0.12 -2.98 0.48 0.00 0.02 0.00 0.00 34.50 31.90 1it7 s PRO 296 CO 0.53 -0.58 1.67 -0.22 -0.33 0.00 0.00 177.00 178.07 1it7 h LYS 297 N 3.54 0.22 -0.61 5.54 3.64 -1.95 0.88 116.57 127.83 1it7 h LYS 297 Ca -0.50 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 58.98 1it7 h LYS 297 Cb 1.23 -0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.92 1it7 h LYS 297 CO 0.69 0.15 0.14 1.49 -2.27 0.00 0.00 179.45 179.64 1it7 h GLU 298 N 0.23 0.27 -0.42 1.90 4.81 -1.99 0.42 114.58 119.79 1it7 h GLU 298 Ca 0.43 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.50 1it7 h GLU 298 Cb 0.75 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1it7 h GLU 298 CO -0.55 0.18 -0.28 1.49 -0.73 0.00 0.00 179.01 179.11 1it7 h GLU 299 N 0.27 0.93 -0.66 1.92 4.57 -1.27 -1.99 114.58 118.36 1it7 h GLU 299 Ca 0.32 -0.44 -0.06 0.00 -1.18 0.00 0.00 59.36 58.00 1it7 h GLU 299 Cb 0.48 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 1it7 h GLU 299 CO -0.40 1.10 0.16 -0.09 -1.18 0.00 0.00 179.01 178.59 1it7 h ARG 300 N 0.76 1.04 -0.37 1.92 2.43 -0.04 -1.47 114.38 118.66 1it7 h ARG 300 Ca 0.08 -0.24 -0.06 0.00 -0.81 0.00 0.00 59.98 58.95 1it7 h ARG 300 Cb 0.86 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 1it7 h ARG 300 CO 0.08 0.92 -0.01 1.15 -1.51 0.00 0.00 179.97 180.59 1it7 h THR 301 N 0.99 1.26 0.34 0.20 2.02 -0.11 -2.37 112.91 115.24 1it7 h THR 301 Ca 0.21 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 1it7 h THR 301 Cb 0.35 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1it7 h THR 301 CO 0.00 0.34 -0.18 -0.09 0.37 0.00 0.00 175.52 175.96 1it7 h ARG 302 N 0.47 -0.47 -0.33 6.66 2.43 -1.08 -0.56 114.38 121.51 1it7 h ARG 302 Ca 0.10 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 1it7 h ARG 302 Cb 0.48 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 1it7 h ARG 302 CO 0.02 -0.31 0.07 -0.07 -1.51 0.00 0.00 179.97 178.17 1it7 h LEU 303 N -0.48 0.45 -0.19 3.80 3.38 -1.30 -1.03 115.31 119.93 1it7 h LEU 303 Ca -0.04 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.71 1it7 h LEU 303 Cb 0.38 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1it7 h LEU 303 CO 0.06 0.47 -0.47 -0.07 0.09 0.00 0.00 178.44 178.52 1it7 h LEU 304 N 0.48 0.75 -0.05 1.67 3.38 -1.28 -1.30 115.31 118.97 1it7 h LEU 304 Ca 0.11 -0.57 0.01 0.00 0.09 0.00 0.00 57.88 57.52 1it7 h LEU 304 Cb 0.21 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1it7 h LEU 304 CO -0.00 1.18 -0.01 0.00 0.09 0.00 0.00 178.44 179.70 1it7 h ALA 305 N 0.58 0.03 -0.27 1.53 0.00 -0.70 0.24 119.26 120.68 1it7 h ALA 305 Ca -0.01 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1it7 h ALA 305 Cb 1.09 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1it7 h ALA 305 CO 0.10 -0.50 0.09 -0.07 0.00 0.00 0.00 179.25 178.87 1it7 h LEU 306 N -0.00 0.09 -0.15 0.00 3.38 -1.18 -0.47 115.31 116.98 1it7 h LEU 306 Ca 0.02 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1it7 h LEU 306 Cb 0.04 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1it7 h LEU 306 CO -0.05 0.08 -0.14 -0.74 0.09 0.00 0.00 178.44 177.68 1it7 h HIS 307 N 0.20 -0.35 -0.92 1.13 2.76 -0.82 0.11 115.15 117.27 1it7 h HIS 307 Ca 0.12 0.02 0.09 0.00 -2.20 0.00 0.00 60.37 58.40 1it7 h HIS 307 Cb 0.09 0.18 -0.07 0.00 1.55 0.00 0.00 27.41 29.16 1it7 h HIS 307 CO -0.13 -0.21 0.57 -0.91 -1.30 0.00 0.00 177.93 175.95 1it7 h ASN 308 N -0.16 0.86 -0.65 3.26 2.35 -0.00 -1.08 115.58 120.15 1it7 h ASN 308 Ca 0.10 0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 1it7 h ASN 308 Cb 0.30 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 1it7 h ASN 308 CO -0.25 0.51 0.16 -0.07 -1.65 0.00 0.00 177.43 176.13 1it7 h LEU 309 N 0.97 1.00 -0.53 1.61 3.38 -0.39 -1.90 115.31 119.44 1it7 h LEU 309 Ca 0.43 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1it7 h LEU 309 Cb 0.32 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1it7 h LEU 309 CO -0.22 0.97 0.25 -0.50 0.09 0.00 0.00 178.44 179.03 1it7 h TRP 310 N 0.97 0.77 -0.20 1.13 4.06 0.17 0.07 115.95 122.92 1it7 h TRP 310 Ca 0.21 -0.04 -0.08 0.00 2.06 0.00 0.00 58.89 61.04 1it7 h TRP 310 Cb 0.37 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 28.27 1it7 h TRP 310 CO 0.03 0.61 -0.22 0.28 -3.56 0.00 0.00 178.44 175.58 1it7 h VAL 311 N 0.72 1.24 -0.20 1.49 2.07 -1.12 0.37 116.25 120.82 1it7 h VAL 311 Ca 0.18 -1.12 -0.11 0.00 0.82 0.00 0.00 66.70 66.47 1it7 h VAL 311 Cb 0.13 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1it7 h VAL 311 CO -0.02 0.35 -0.32 0.40 0.02 0.00 0.00 177.57 178.00 1it7 h ILE 312 N 0.33 1.33 -0.40 4.57 2.04 -1.00 -1.09 117.51 123.29 1it7 h ILE 312 Ca 0.05 -1.53 -0.06 0.00 1.00 0.00 0.00 64.86 64.32 1it7 h ILE 312 Cb 0.57 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 1it7 h ILE 312 CO 0.04 0.47 0.01 0.50 0.00 0.00 0.00 178.15 179.17 1it7 h LYS 313 N 0.25 0.71 -0.73 2.37 3.64 -0.70 -2.48 116.57 119.63 1it7 h LYS 313 Ca 0.02 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 1it7 h LYS 313 Cb 0.90 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.62 1it7 h LYS 313 CO 0.07 0.79 0.39 1.49 -2.27 0.00 0.00 179.45 179.92 1it7 h GLU 314 N 0.54 1.02 -0.02 1.90 4.81 -0.21 -1.86 114.58 120.76 1it7 h GLU 314 Ca 0.12 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1it7 h GLU 314 Cb 0.46 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 1it7 h GLU 314 CO 0.02 0.76 0.01 0.93 -0.73 0.00 0.00 179.01 180.00 1it7 h GLU 315 N 1.00 0.03 -0.24 1.92 4.39 -1.08 -0.86 114.58 119.75 1it7 h GLU 315 Ca 0.25 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 60.01 1it7 h GLU 315 Cb 0.05 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.62 1it7 h GLU 315 CO -0.04 0.09 -0.36 0.82 -1.16 0.00 0.00 179.01 178.37 1it7 h ILE 316 N -0.04 0.22 -0.79 3.13 1.08 -1.22 0.34 117.51 120.23 1it7 h ILE 316 Ca 0.01 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.59 1it7 h ILE 316 Cb 0.07 0.22 -0.08 0.00 -3.07 0.00 0.00 36.82 33.96 1it7 h ILE 316 CO -0.00 0.00 0.40 0.11 -0.69 0.00 0.00 178.15 177.97 1it7 h LYS 317 N -0.37 0.62 -0.62 2.37 1.57 -1.16 0.45 116.57 119.43 1it7 h LYS 317 Ca 0.12 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1it7 h LYS 317 Cb 0.57 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.69 1it7 h LYS 317 CO -0.44 0.41 0.37 -0.09 -0.57 0.00 0.00 179.45 179.14 1it7 h ARG 318 N 0.64 0.71 -0.34 3.15 2.43 0.54 0.82 114.38 122.32 1it7 h ARG 318 Ca 0.40 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.50 1it7 h ARG 318 Cb 0.49 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1it7 h ARG 318 CO -0.31 0.47 0.10 0.28 -1.51 0.00 0.00 179.97 179.01 1it7 h VAL 319 N 0.73 1.21 -0.65 0.20 2.07 0.11 -1.51 116.25 118.40 1it7 h VAL 319 Ca 0.26 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 67.01 1it7 h VAL 319 Cb 0.05 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1it7 h VAL 319 CO -0.12 0.23 0.08 0.11 0.02 0.00 0.00 177.57 177.90 1it7 h LYS 320 N 0.40 1.09 -0.25 1.57 1.57 -0.59 -1.19 116.57 119.18 1it7 h LYS 320 Ca 0.11 -0.30 -0.07 0.00 -1.87 0.00 0.00 60.65 58.52 1it7 h LYS 320 Cb 0.26 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1it7 h LYS 320 CO -0.00 1.01 -0.15 0.37 -0.57 0.00 0.00 179.45 180.12 1it7 h GLN 321 N 1.02 0.43 -0.23 3.15 5.75 -0.70 -0.70 115.11 123.84 1it7 h GLN 321 Ca 0.20 -0.12 -0.18 0.00 -0.15 0.00 0.00 58.65 58.40 1it7 h GLN 321 Cb 0.47 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.97 1it7 h GLN 321 CO 0.02 0.57 -0.57 0.00 -2.65 0.00 0.00 178.83 176.20 1it7 h ALA 322 N 1.45 0.56 -0.39 3.38 0.00 -0.86 -2.28 119.26 121.13 1it7 h ALA 322 Ca 0.07 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1it7 h ALA 322 Cb 0.49 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1it7 h ALA 322 CO 0.03 0.69 0.12 0.82 0.00 0.00 0.00 179.25 180.91 1it7 h ILE 323 N 0.54 1.22 -0.93 0.00 2.04 -0.88 0.40 117.51 119.91 1it7 h ILE 323 Ca 0.01 -0.71 0.13 0.00 1.00 0.00 0.00 64.86 65.28 1it7 h ILE 323 Cb 1.15 0.94 -0.09 0.00 -0.74 0.00 0.00 36.82 38.09 1it7 h ILE 323 CO 0.12 0.25 0.55 0.50 0.00 0.00 0.00 178.15 179.57 1it7 h LYS 324 N 0.49 0.83 -0.63 2.37 1.63 -0.99 -1.71 116.57 118.55 1it7 h LYS 324 Ca 0.13 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1it7 h LYS 324 Cb 0.26 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 1it7 h LYS 324 CO -0.00 0.55 0.00 -0.85 -3.45 0.00 0.00 179.45 175.69 1it7 n GLU 325 N -4.71 2.51 -3.29 1.90 0.28 -0.87 -4.86 120.64 111.60 1it7 n GLU 325 Ca 0.18 -2.34 -0.17 0.00 -0.16 0.00 0.00 57.16 54.66 1it7 n GLU 325 Cb 0.37 -1.51 0.06 0.00 1.43 0.00 0.00 31.44 31.79 1it7 n GLU 325 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1it7 n GLY 326 N 1.54 -0.15 0.07 -1.84 0.00 -0.26 -2.05 105.19 102.50 1it7 n GLY 326 Ca 0.22 0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.79 1.71 -0.13 1.61 -0.58 0.13 -4.53 120.64 115.06 1it7 n GLU 327 Ca -0.01 -1.61 -0.04 0.00 -0.42 0.00 0.00 57.16 55.08 1it7 n GLU 327 Cb 0.55 -1.02 0.02 0.00 -0.57 0.00 0.00 31.44 30.42 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 0.00 -0.49 -1.29 -4.62 6.46 -1.89 -1.41 115.31 112.08 1it7 h LEU 328 Ca 0.00 0.14 0.09 0.00 -0.12 0.00 0.00 57.88 57.99 1it7 h LEU 328 Cb 0.82 0.30 -0.06 0.00 -0.73 0.00 0.00 40.66 40.99 1it7 h LEU 328 CO 0.00 -0.17 0.54 -0.50 -0.62 0.00 0.00 178.44 177.69 1it7 h TRP 329 N -0.04 0.85 -0.29 1.25 -0.00 -1.93 0.33 115.95 116.13 1it7 h TRP 329 Ca 0.21 0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 59.11 1it7 h TRP 329 Cb 0.36 -0.28 -0.01 0.00 -0.00 0.00 0.00 29.16 29.23 1it7 h TRP 329 CO -0.40 0.40 0.11 -0.09 -0.00 0.00 0.00 178.44 178.46 1it7 h ARG 330 N 0.80 0.43 -0.66 0.49 2.43 -1.65 0.21 114.38 116.43 1it7 h ARG 330 Ca 0.38 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.45 1it7 h ARG 330 Cb 0.42 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1it7 h ARG 330 CO -0.15 0.45 0.33 1.25 -1.51 0.00 0.00 179.97 180.33 1it7 h LEU 331 N 0.31 0.86 -0.80 3.80 5.85 -0.48 -0.72 115.31 124.14 1it7 h LEU 331 Ca 0.10 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1it7 h LEU 331 Cb 0.18 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1it7 h LEU 331 CO -0.01 0.74 0.47 0.58 -0.34 0.00 0.00 178.44 179.89 1it7 h VAL 332 N 0.91 1.23 -0.77 1.05 2.07 0.00 0.07 116.25 120.81 1it7 h VAL 332 Ca 0.23 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1it7 h VAL 332 Cb 0.11 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 29.96 1it7 h VAL 332 CO -0.03 0.24 0.42 -0.78 0.02 0.00 0.00 177.57 177.44 1it7 h ASP 333 N 1.10 0.95 -0.20 0.57 1.82 0.06 0.65 116.42 121.37 1it7 h ASP 333 Ca 0.29 -0.08 -0.04 0.00 -0.39 0.00 0.00 57.03 56.80 1it7 h ASP 333 Cb -0.02 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 39.74 1it7 h ASP 333 CO -0.05 0.77 -0.05 -0.08 -1.61 0.00 0.00 179.24 178.22 1it7 h GLU 334 N 1.07 0.39 0.00 0.28 4.81 -0.31 -3.02 114.58 117.81 1it7 h GLU 334 Ca 0.27 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1it7 h GLU 334 Cb 0.03 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1it7 h GLU 334 CO -0.04 0.64 -0.18 0.00 -0.73 0.00 0.00 179.01 178.70 1it7 h ARG 335 N 0.11 0.00 0.00 1.92 2.47 -0.55 -2.81 114.38 115.51 1it7 h ARG 335 Ca 0.05 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 1it7 h ARG 335 Cb 0.50 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.82 1it7 h ARG 335 CO 0.02 0.18 -0.04 0.00 0.56 0.00 0.00 179.97 180.69 1it7 h ALA 336 N 1.82 1.52 0.00 0.04 0.00 -0.74 -0.87 119.26 121.03 1it7 h ALA 336 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1it7 h ALA 336 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1it7 h ALA 336 CO 0.02 0.05 0.00 0.54 0.00 0.00 0.00 179.25 179.86 1it7 n ARG 337 N -3.88 0.97 -0.02 0.00 3.00 -1.06 -2.94 116.66 112.73 1it7 n ARG 337 Ca -0.03 0.00 -0.14 0.00 -0.01 0.00 0.00 57.85 57.67 1it7 n ARG 337 Cb 0.12 -1.19 -0.02 0.00 0.00 0.00 0.00 32.46 31.37 1it7 n ARG 337 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 1it7 h SER 338 N 0.00 0.82 -4.66 0.55 0.02 -1.34 -3.47 113.55 105.47 1it7 h SER 338 Ca 0.00 -0.49 -0.10 0.00 -0.84 0.00 0.00 61.79 60.36 1it7 h SER 338 Cb 0.00 -0.24 -0.21 0.00 0.14 0.00 0.00 62.40 62.09 1it7 h SER 338 CO 0.00 1.27 -0.11 -2.28 -1.14 0.00 0.00 176.83 174.57 1it7 s HIS 339 N -3.87 -0.42 0.26 3.45 5.65 -1.25 -4.94 115.29 114.18 1it7 s HIS 339 Ca -0.09 0.81 -0.02 0.00 0.25 0.00 0.00 55.06 56.01 1it7 s HIS 339 Cb 0.10 0.21 0.50 0.00 -1.18 0.00 0.00 32.58 32.21 1it7 s HIS 339 CO 0.88 -0.41 1.77 -1.35 -0.65 0.00 0.00 174.74 174.98 1it7 h PRO 340 N 4.10 0.61 -0.49 2.88 0.11 -1.90 -0.22 132.00 137.08 1it7 h PRO 340 Ca -0.28 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.68 1it7 h PRO 340 Cb 1.17 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1it7 h PRO 340 CO 0.34 0.40 -0.15 0.87 -0.21 0.00 0.00 178.00 179.24 1it7 h LYS 341 N 0.62 0.94 -0.21 1.05 6.56 -1.93 -0.63 116.57 122.97 1it7 h LYS 341 Ca 0.45 -0.36 -0.08 0.00 -1.06 0.00 0.00 60.65 59.60 1it7 h LYS 341 Cb 0.61 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.20 1it7 h LYS 341 CO -0.35 1.02 -0.20 1.25 -2.06 0.00 0.00 179.45 179.11 1it7 h LEU 342 N 0.83 0.35 -0.73 2.94 6.46 -1.59 -0.35 115.31 123.21 1it7 h LEU 342 Ca 0.12 -0.10 -0.12 0.00 -0.12 0.00 0.00 57.88 57.66 1it7 h LEU 342 Cb 0.70 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.52 1it7 h LEU 342 CO 0.05 0.57 -0.29 0.22 -0.62 0.00 0.00 178.44 178.37 1it7 h TYR 343 N 0.33 0.74 0.08 1.25 3.20 -0.61 -0.61 116.97 121.35 1it7 h TYR 343 Ca 0.06 -0.18 -0.00 0.00 3.14 0.00 0.00 58.73 61.74 1it7 h TYR 343 Cb 0.55 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.65 1it7 h TYR 343 CO 0.01 0.86 -0.04 1.03 -1.64 0.00 0.00 178.16 178.39 1it7 h SER 344 N 0.55 -0.10 -0.90 -2.11 0.87 -0.46 -2.62 113.55 108.79 1it7 h SER 344 Ca 0.07 -0.18 0.06 0.00 -1.23 0.00 0.00 61.79 60.51 1it7 h SER 344 Cb 0.78 0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.71 1it7 h SER 344 CO 0.06 0.13 0.59 0.00 -0.53 0.00 0.00 176.83 177.08 1it7 h ALA 345 N 0.58 1.51 -0.60 6.23 0.00 -0.89 -2.14 119.26 123.95 1it7 h ALA 345 Ca -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1it7 h ALA 345 Cb 0.27 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1it7 h ALA 345 CO 0.02 0.36 0.27 -0.92 0.00 0.00 0.00 179.25 178.97 1it7 h TYR 346 N 1.03 0.88 -0.55 0.00 3.20 -0.88 -0.60 116.97 120.06 1it7 h TYR 346 Ca 0.38 -0.05 -0.07 0.00 3.14 0.00 0.00 58.73 62.13 1it7 h TYR 346 Cb 0.19 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 1it7 h TYR 346 CO -0.00 0.69 0.07 0.87 -1.64 0.00 0.00 178.16 178.15 1it7 h LYS 347 N 0.82 0.93 -0.04 1.82 1.57 -1.10 -2.87 116.57 117.70 1it7 h LYS 347 Ca 0.20 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1it7 h LYS 347 Cb 0.15 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1it7 h LYS 347 CO -0.02 0.90 -0.00 -0.09 -0.57 0.00 0.00 179.45 179.67 1it7 h ARG 348 N 0.81 0.01 -0.92 3.15 9.65 -1.12 -2.39 114.38 123.58 1it7 h ARG 348 Ca 0.17 -0.00 0.17 0.00 -1.10 0.00 0.00 59.98 59.22 1it7 h ARG 348 Cb 0.44 -0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 28.91 1it7 h ARG 348 CO 0.01 0.01 0.50 1.25 2.80 0.00 0.00 179.97 184.54 1it7 h LEU 349 N 0.01 0.61 -1.61 3.80 5.85 -0.95 0.31 115.31 123.32 1it7 h LEU 349 Ca 0.02 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1it7 h LEU 349 Cb 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1it7 h LEU 349 CO -0.04 0.22 0.00 -0.07 -0.34 0.00 0.00 178.44 178.21 1it7 h LEU 350 N 0.65 0.00 -1.15 2.25 3.38 -1.21 -2.14 115.31 117.09 1it7 h LEU 350 Ca 0.52 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.43 1it7 h LEU 350 Cb 0.80 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1it7 h LEU 350 CO -0.39 0.00 -0.30 -0.33 0.09 0.00 0.00 178.44 177.51 1it7 h GLU 351 N 0.00 0.00 -2.02 1.13 5.08 -0.78 -3.25 114.58 114.74 1it7 h GLU 351 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1it7 h GLU 351 Cb 0.28 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 1it7 h GLU 351 CO 0.00 0.30 -0.34 0.72 -1.00 0.00 0.00 179.01 178.70 1it7 n HIS 352 N -3.57 0.00 -0.27 4.33 8.25 -0.80 -4.63 115.22 118.53 1it7 n HIS 352 Ca -0.01 -1.43 0.03 0.00 -0.26 0.00 0.00 57.72 56.06 1it7 n HIS 352 Cb 0.44 -1.48 0.17 0.00 1.12 0.00 0.00 29.99 30.24 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 2.89 0.72 -0.74 4.41 3.20 -1.80 -1.66 116.97 124.00 1it7 h TYR 353 Ca 0.17 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 1it7 h TYR 353 Cb 1.44 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.47 1it7 h TYR 353 CO 1.64 0.24 0.37 1.15 -1.64 0.00 0.00 178.16 179.92 1it7 h THR 354 N 0.65 1.23 0.09 1.81 2.02 -1.93 0.60 112.91 117.37 1it7 h THR 354 Ca 0.39 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 1it7 h THR 354 Cb 0.44 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1it7 h THR 354 CO -0.29 0.27 -0.04 0.15 0.37 0.00 0.00 175.52 175.98 1it7 h PHE 355 N 1.03 -0.11 -0.76 3.16 3.57 -1.87 -3.27 116.94 118.70 1it7 h PHE 355 Ca 0.26 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 1it7 h PHE 355 Cb 0.09 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 1it7 h PHE 355 CO 0.01 0.23 0.37 -0.07 -2.23 0.00 0.00 178.31 176.62 1it7 h LEU 356 N -0.45 0.98 -1.65 0.59 3.38 -1.07 -3.16 115.31 113.92 1it7 h LEU 356 Ca -0.01 -0.13 0.09 0.00 0.09 0.00 0.00 57.88 57.92 1it7 h LEU 356 Cb 0.38 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1it7 h LEU 356 CO 0.02 0.83 0.38 -0.08 0.09 0.00 0.00 178.44 179.67 1it7 h GLU 357 N 1.06 0.39 0.00 1.13 4.22 0.15 -2.33 114.58 119.19 1it7 h GLU 357 Ca 0.26 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.66 1it7 h GLU 357 Cb 0.10 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1it7 h GLU 357 CO -0.03 0.26 -0.10 1.49 -2.18 0.00 0.00 179.01 178.44 1it7 h GLU 358 N 0.40 0.00 0.00 1.92 4.81 -1.60 -3.19 114.58 116.92 1it7 h GLU 358 Ca 0.25 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 1it7 h GLU 358 Cb 0.47 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 1it7 h GLU 358 CO -0.07 0.10 -1.78 1.19 -0.73 0.00 0.00 179.01 177.72 1it7 n PHE 359 N -4.26 0.00 -1.66 0.92 3.01 -0.95 -4.67 117.46 109.85 1it7 n PHE 359 Ca -0.03 0.00 -0.47 0.00 1.01 0.00 0.00 57.45 57.97 1it7 n PHE 359 Cb 0.18 -0.40 -0.04 0.00 -0.01 0.00 0.00 39.48 39.21 1it7 n PHE 359 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1it7 n GLU 360 N -2.10 2.27 -1.29 -1.08 4.07 -0.92 -4.63 120.64 116.95 1it7 n GLU 360 Ca -0.04 0.82 -0.36 0.00 -0.06 0.00 0.00 57.16 57.51 1it7 n GLU 360 Cb 0.46 -2.76 0.06 0.00 -0.06 0.00 0.00 31.44 29.14 1it7 n GLU 360 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1it7 n PRO 361 N 7.08 0.34 0.08 5.31 -0.02 -1.26 -4.55 135.00 141.98 1it7 n PRO 361 Ca 0.23 0.15 -0.09 0.00 -2.02 0.00 0.00 63.50 61.77 1it7 n PRO 361 Cb 0.33 -1.81 -0.07 0.00 -0.02 0.00 0.00 33.50 31.93 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 -0.27 1.57 -3.52 4.25 6.09 -1.36 -3.46 117.51 120.81 1it7 h ILE 362 Ca -0.46 -2.97 -0.21 0.00 -1.37 0.00 0.00 64.86 59.86 1it7 h ILE 362 Cb 1.36 2.69 -0.28 0.00 0.47 0.00 0.00 36.82 41.06 1it7 h ILE 362 CO 0.43 0.86 -0.62 0.28 -3.07 0.00 0.00 178.15 176.03 1it7 s THR 363 N -2.93 -0.00 0.33 2.19 -1.32 -1.26 -4.95 115.64 107.69 1it7 s THR 363 Ca -0.02 0.01 0.09 0.00 -1.21 0.00 0.00 61.69 60.57 1it7 s THR 363 Cb 0.09 -0.13 -0.06 0.00 -1.51 0.00 0.00 72.50 70.89 1it7 s THR 363 CO 0.84 0.01 -0.10 -0.54 -2.21 0.00 0.00 174.62 172.61 1it7 s LYS 364 N 0.12 1.77 -0.01 7.08 1.02 -1.26 -5.00 119.74 123.46 1it7 s LYS 364 Ca -0.01 -1.90 -0.25 0.00 0.02 0.00 0.00 55.97 53.83 1it7 s LYS 364 Cb -0.01 -1.65 -0.19 0.00 -0.52 0.00 0.00 37.83 35.46 1it7 s LYS 364 CO -0.00 0.15 1.29 0.87 -0.92 0.00 0.00 175.35 176.74 1it7 h LYS 365 N 2.08 -0.08 -7.36 1.68 1.79 -1.88 -3.45 116.57 109.34 1it7 h LYS 365 Ca -0.42 0.01 -0.51 0.00 -2.18 0.00 0.00 60.65 57.55 1it7 h LYS 365 Cb 1.25 0.02 0.09 0.00 -1.58 0.00 0.00 32.23 32.01 1it7 h LYS 365 CO 0.69 0.31 0.38 -1.12 -1.08 0.00 0.00 179.45 178.63 1it7 s SER 366 N -5.51 5.41 0.45 0.86 0.01 -0.87 -5.04 113.70 109.02 1it7 s SER 366 Ca -0.15 1.52 -0.10 0.00 1.31 0.00 0.00 55.95 58.53 1it7 s SER 366 Cb 0.02 -2.40 -0.06 0.00 0.21 0.00 0.00 66.02 63.79 1it7 s SER 366 CO 0.64 -1.41 0.81 0.00 0.41 0.00 0.00 173.24 173.69 1it7 s ALA 367 N -3.10 3.32 -0.13 1.44 0.00 -1.26 -5.00 121.76 117.03 1it7 s ALA 367 Ca 0.58 -0.23 -0.29 0.00 0.00 0.00 0.00 51.96 52.02 1it7 s ALA 367 Cb -0.13 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.21 1it7 s ALA 367 CO 0.55 -0.16 1.50 -1.17 0.00 0.00 0.00 175.76 176.47 1it7 s LEU 368 N -4.18 4.18 -0.25 0.00 0.20 0.37 -4.87 118.68 114.13 1it7 s LEU 368 Ca 0.51 1.90 -0.10 0.00 0.69 0.00 0.00 54.13 57.13 1it7 s LEU 368 Cb -0.10 -3.53 -0.05 0.00 -0.43 0.00 0.00 46.19 42.07 1it7 s LEU 368 CO 0.36 -0.94 0.15 -0.36 -0.29 0.00 0.00 176.35 175.28 1it7 s PHE 369 N 4.09 3.26 -0.90 5.38 2.99 -1.26 -0.39 117.98 131.14 1it7 s PHE 369 Ca 0.66 0.12 -0.19 0.00 0.00 0.00 0.00 56.93 57.52 1it7 s PHE 369 Cb -0.27 -2.29 0.12 0.00 0.00 0.00 0.00 43.02 40.58 1it7 s PHE 369 CO 0.24 -0.03 1.11 0.21 -0.00 0.00 0.00 175.22 176.75 1it7 s LYS 370 N 1.27 3.54 0.00 0.44 2.36 -0.15 -4.78 119.74 122.42 1it7 s LYS 370 Ca 0.07 -1.64 0.11 0.00 -2.55 0.00 0.00 55.97 51.95 1it7 s LYS 370 Cb -0.14 -4.86 0.23 0.00 -1.05 0.00 0.00 37.83 32.01 1it7 s LYS 370 CO 0.06 -1.79 1.12 0.44 1.55 0.00 0.00 175.35 176.73 1it7 n ILE 371 N 5.59 0.66 -3.87 5.43 -6.64 -1.26 -4.66 119.36 114.60 1it7 n ILE 371 Ca 0.21 -0.83 0.01 0.00 -1.77 0.00 0.00 62.75 60.37 1it7 n ILE 371 Cb 0.49 0.75 0.01 0.00 -1.44 0.00 0.00 39.64 39.44 1it7 n ILE 371 CO 0.00 0.00 0.00 -0.94 -1.77 0.00 0.00 176.55 173.84 1it7 s SER 372 N -0.97 -0.02 0.20 7.28 1.04 -1.26 -4.99 113.70 114.98 1it7 s SER 372 Ca 0.20 -0.29 -0.04 0.00 0.48 0.00 0.00 55.95 56.29 1it7 s SER 372 Cb 0.11 0.24 0.13 0.00 0.10 0.00 0.00 66.02 66.60 1it7 s SER 372 CO 0.15 -0.46 1.54 0.78 0.98 0.00 0.00 173.24 176.23 1it7 h ASN 373 N 2.00 0.69 -0.95 7.02 4.21 -2.01 -3.11 115.58 123.42 1it7 h ASN 373 Ca -0.25 -0.32 0.01 0.00 1.21 0.00 0.00 56.30 56.94 1it7 h ASN 373 Cb 1.20 -0.19 -0.05 0.00 -1.12 0.00 0.00 38.32 38.16 1it7 h ASN 373 CO 0.31 1.03 0.63 -0.33 -1.29 0.00 0.00 177.43 177.79 1it7 h GLU 374 N 0.51 1.26 -0.05 0.81 3.07 -2.00 -2.57 114.58 115.61 1it7 h GLU 374 Ca 0.03 -0.08 0.02 0.00 -0.50 0.00 0.00 59.36 58.83 1it7 h GLU 374 Cb 0.97 -0.28 -0.00 0.00 -0.84 0.00 0.00 28.75 28.60 1it7 h GLU 374 CO 0.09 0.83 0.13 0.66 -1.40 0.00 0.00 179.01 179.32 1it7 h SER 375 N 1.29 0.00 0.83 1.42 4.64 -1.90 0.67 113.55 120.51 1it7 h SER 375 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1it7 h SER 375 Cb -0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1it7 h SER 375 CO -0.08 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.06 1it7 n LEU 376 N -3.33 0.21 -0.74 5.97 4.77 -0.97 -2.44 117.00 120.48 1it7 n LEU 376 Ca -0.01 0.54 0.08 0.00 -0.03 0.00 0.00 56.01 56.58 1it7 n LEU 376 Cb 0.21 -0.49 0.14 0.00 -2.33 0.00 0.00 43.42 40.95 1it7 n LEU 376 CO 0.21 -0.21 0.58 0.54 -1.33 0.00 0.00 177.39 177.19 1it7 n ARG 377 N -1.72 1.97 -1.84 3.23 1.74 0.23 -4.56 116.66 115.71 1it7 n ARG 377 Ca 0.05 -1.83 -0.37 0.00 -0.77 0.00 0.00 57.85 54.93 1it7 n ARG 377 Cb 0.27 -1.33 0.05 0.00 -1.02 0.00 0.00 32.46 30.44 1it7 n ARG 377 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1it7 s TRP 378 N -1.13 2.20 0.23 -1.55 0.51 -1.02 -4.78 118.94 113.41 1it7 s TRP 378 Ca 0.25 1.48 -0.10 0.00 -2.12 0.00 0.00 56.10 55.60 1it7 s TRP 378 Cb 0.15 -3.64 0.34 0.00 -0.81 0.00 0.00 33.47 29.51 1it7 s TRP 378 CO 0.20 -2.69 1.62 -1.35 -0.51 0.00 0.00 176.95 174.23 1it7 h PRO 379 N 0.76 0.03 -0.02 4.98 0.11 -1.92 -0.80 132.00 135.14 1it7 h PRO 379 Ca -0.51 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 1it7 h PRO 379 Cb 1.32 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 1it7 h PRO 379 CO 0.54 0.02 -0.12 -0.24 -0.21 0.00 0.00 178.00 177.99 1it7 h VAL 380 N 0.03 1.10 -0.05 3.15 3.04 -1.94 -1.69 116.25 119.88 1it7 h VAL 380 Ca 0.37 -0.47 -0.07 0.00 -1.01 0.00 0.00 66.70 65.52 1it7 h VAL 380 Cb 0.59 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.09 1it7 h VAL 380 CO -0.71 0.14 -0.22 0.58 -1.01 0.00 0.00 177.57 176.35 1it7 h VAL 381 N 0.03 1.45 -0.05 1.51 2.07 -1.47 -2.35 116.25 117.44 1it7 h VAL 381 Ca 0.01 -1.65 -0.04 0.00 0.82 0.00 0.00 66.70 65.83 1it7 h VAL 381 Cb 0.23 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1it7 h VAL 381 CO 0.02 0.46 -0.18 0.03 0.02 0.00 0.00 177.57 177.92 1it7 h ARG 382 N -0.28 0.07 -0.03 1.57 3.08 -1.23 -2.08 114.38 115.48 1it7 h ARG 382 Ca -0.01 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 59.87 1it7 h ARG 382 Cb 0.87 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.92 1it7 h ARG 382 CO 0.05 0.26 -0.56 -0.09 -1.07 0.00 0.00 179.97 178.55 1it7 h ARG 383 N 0.07 0.44 -0.06 0.04 2.43 -1.32 -3.02 114.38 112.97 1it7 h ARG 383 Ca 0.01 -0.43 -0.08 0.00 -0.81 0.00 0.00 59.98 58.68 1it7 h ARG 383 Cb 0.36 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1it7 h ARG 383 CO 0.02 1.08 -0.34 0.00 -1.51 0.00 0.00 179.97 179.23 1it7 h ALA 384 N 0.37 1.33 1.00 2.80 0.00 -1.32 -1.75 119.26 121.69 1it7 h ALA 384 Ca -0.06 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1it7 h ALA 384 Cb 1.25 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.98 1it7 h ALA 384 CO 0.11 0.48 -0.48 0.87 0.00 0.00 0.00 179.25 180.23 1it7 h LYS 385 N 0.10 -1.29 -0.85 0.00 1.57 -1.40 -2.08 116.57 112.63 1it7 h LYS 385 Ca 0.01 0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1it7 h LYS 385 Cb 0.65 0.29 -0.04 0.00 0.08 0.00 0.00 32.23 33.21 1it7 h LYS 385 CO 0.05 -0.86 0.51 0.93 -0.57 0.00 0.00 179.45 179.51 1it7 h GLU 386 N -1.36 1.15 0.00 3.15 5.08 -1.45 -2.37 114.58 118.78 1it7 h GLU 386 Ca -0.14 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1it7 h GLU 386 Cb 1.03 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 1it7 h GLU 386 CO 0.22 0.80 -0.10 0.00 -1.00 0.00 0.00 179.01 178.94 1it7 h ARG 387 N 1.17 0.00 0.00 2.33 3.08 -1.30 -3.07 114.38 116.58 1it7 h ARG 387 Ca 0.30 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.18 1it7 h ARG 387 Cb -0.05 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 1it7 h ARG 387 CO -0.06 0.10 -1.30 0.00 -1.07 0.00 0.00 179.97 177.65 1it7 h ALA 388 N 1.90 0.66 -0.68 0.04 0.00 -0.88 -3.38 119.26 116.92 1it7 h ALA 388 Ca -0.00 -0.86 0.14 0.00 0.00 0.00 0.00 54.91 54.19 1it7 h ALA 388 Cb 0.60 0.23 -0.13 0.00 0.00 0.00 0.00 17.79 18.49 1it7 h ALA 388 CO 0.01 0.96 -0.17 0.87 0.00 0.00 0.00 179.25 180.92 1it7 h LYS 389 N 0.00 -0.00 -0.00 0.00 1.57 -1.35 0.82 116.57 117.61 1it7 h LYS 389 Ca -0.15 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.49 1it7 h LYS 389 Cb 1.61 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.90 1it7 h LYS 389 CO 0.06 -0.00 -0.69 0.66 -0.57 0.00 0.00 179.45 178.90 1it7 h SER 390 N -0.00 0.00 0.97 0.86 4.64 -1.76 -2.96 113.55 115.30 1it7 h SER 390 Ca 0.33 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.60 1it7 h SER 390 Cb 0.50 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1it7 h SER 390 CO -0.70 0.70 -0.20 0.40 -0.87 0.00 0.00 176.83 176.15 1it7 h ILE 391 N 0.00 0.49 0.08 0.95 1.08 -1.19 -3.00 117.51 115.92 1it7 h ILE 391 Ca -0.01 -1.08 -0.11 0.00 -0.39 0.00 0.00 64.86 63.27 1it7 h ILE 391 Cb 1.23 1.76 0.01 0.00 -3.07 0.00 0.00 36.82 36.75 1it7 h ILE 391 CO 0.09 0.20 -0.51 0.78 -0.69 0.00 0.00 178.15 178.02 1it7 h ASN 392 N 0.00 0.26 0.00 1.72 2.35 -0.81 -2.38 115.58 116.72 1it7 h ASN 392 Ca -0.00 -0.96 0.00 0.00 -0.55 0.00 0.00 56.30 54.79 1it7 h ASN 392 Cb 0.74 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.03 1it7 h ASN 392 CO 0.03 1.24 0.00 -0.62 -1.65 0.00 0.00 177.43 176.43 1it7 n GLU 393 N -4.33 0.53 -0.04 0.81 1.02 -1.13 -0.17 120.64 117.33 1it7 n GLU 393 Ca -0.13 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 56.93 1it7 n GLU 393 Cb 0.68 -1.39 -0.04 0.00 -0.02 0.00 0.00 31.44 30.67 1it7 n GLU 393 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1it7 n ARG 394 N -0.89 0.20 -0.00 3.49 0.00 -1.14 -4.75 116.66 113.57 1it7 n ARG 394 Ca 0.10 0.07 0.11 0.00 -0.00 0.00 0.00 57.85 58.13 1it7 n ARG 394 Cb 0.05 -1.00 -0.14 0.00 0.00 0.00 0.00 32.46 31.37 1it7 n ARG 394 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1it7 n PHE 395 N -3.09 0.07 -2.72 -0.14 3.01 -0.90 -5.07 117.46 108.62 1it7 n PHE 395 Ca -0.17 0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.31 1it7 n PHE 395 Cb 0.64 -0.44 0.00 0.00 -0.01 0.00 0.00 39.48 39.67 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 1.30 0.85 3.29 1.37 0.00 0.76 -4.90 105.19 107.86 1it7 n GLY 396 Ca -0.02 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 -5.67 -1.52 1.61 1.02 -1.26 -4.23 120.64 110.60 1it7 n GLU 397 Ca 0.00 0.81 -0.32 0.00 -0.02 0.00 0.00 57.16 57.64 1it7 n GLU 397 Cb 0.00 -5.69 0.06 0.00 -0.02 0.00 0.00 31.44 25.79 1it7 n GLU 397 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1it7 s LEU 398 N -6.01 3.18 0.13 -4.62 1.43 -1.26 -1.20 118.68 110.33 1it7 s LEU 398 Ca 0.07 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.98 1it7 s LEU 398 Cb -0.01 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.65 1it7 s LEU 398 CO 0.70 -1.72 0.01 0.54 0.23 0.00 0.00 176.35 176.10 1it7 s VAL 399 N -2.77 0.38 0.32 -1.59 0.11 -0.68 -4.79 120.40 111.38 1it7 s VAL 399 Ca 0.62 -1.92 -0.27 0.00 -2.93 0.00 0.00 61.98 57.47 1it7 s VAL 399 Cb -0.17 -1.96 -0.09 0.00 -1.53 0.00 0.00 36.38 32.62 1it7 s VAL 399 CO 0.51 -0.58 1.01 -1.61 -3.33 0.00 0.00 175.10 171.09 1it7 s GLU 400 N -3.96 4.54 -0.04 1.54 2.02 -1.26 -1.61 118.70 119.93 1it7 s GLU 400 Ca 0.20 1.53 -0.00 0.00 0.02 0.00 0.00 54.97 56.72 1it7 s GLU 400 Cb 0.07 -2.92 0.03 0.00 0.10 0.00 0.00 34.13 31.41 1it7 s GLU 400 CO 0.00 0.19 0.00 -1.58 0.02 0.00 0.00 175.26 173.90 1it7 s HIS 401 N -1.43 0.42 0.29 1.61 2.46 0.45 -4.83 115.29 114.26 1it7 s HIS 401 Ca 0.49 -0.04 0.04 0.00 0.47 0.00 0.00 55.06 56.03 1it7 s HIS 401 Cb -0.24 -0.54 0.74 0.00 -0.13 0.00 0.00 32.58 32.41 1it7 s HIS 401 CO 0.31 -0.19 1.71 -1.35 -2.47 0.00 0.00 174.74 172.75 1it7 h PRO 402 N 7.61 0.45 0.00 2.88 0.11 -1.90 -0.20 132.00 140.95 1it7 h PRO 402 Ca -0.33 -0.03 -0.38 0.00 0.11 0.00 0.00 66.00 65.37 1it7 h PRO 402 Cb 1.13 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 32.08 1it7 h PRO 402 CO 0.39 0.30 -2.14 -0.89 -0.21 0.00 0.00 178.00 175.45 1it7 n ILE 403 N -4.99 1.53 0.57 4.15 5.41 -1.26 -4.53 119.36 120.23 1it7 n ILE 403 Ca 0.22 -0.27 0.06 0.00 1.00 0.00 0.00 62.75 63.77 1it7 n ILE 403 Cb 0.65 -1.95 0.19 0.00 -0.71 0.00 0.00 39.64 37.82 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 -4.31 0.64 0.00 1.39 3.01 -1.24 -4.96 117.46 111.99 1it7 n PHE 404 Ca -0.47 -0.30 0.00 0.00 1.01 0.00 0.00 57.45 57.69 1it7 n PHE 404 Cb 0.81 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 40.24 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 1.05 2.20 3.42 1.37 0.00 -0.09 -4.68 105.19 108.46 1it7 n GLY 405 Ca 0.14 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 0.60 0.01 1.61 3.03 -1.26 0.17 118.95 123.11 1it7 s ARG 406 Ca 0.00 0.74 -0.04 0.00 2.03 0.00 0.00 55.73 58.46 1it7 s ARG 406 Cb 0.00 0.28 -0.01 0.00 -1.03 0.00 0.00 34.95 34.19 1it7 s ARG 406 CO 0.00 -0.08 0.07 0.54 -1.13 0.00 0.00 175.30 174.70 1it7 s VAL 407 N 0.37 0.08 0.37 4.99 0.11 -0.63 -4.88 120.40 120.81 1it7 s VAL 407 Ca -0.01 -0.69 -0.26 0.00 -2.93 0.00 0.00 61.98 58.10 1it7 s VAL 407 Cb -0.04 -0.33 -0.12 0.00 -1.53 0.00 0.00 36.38 34.36 1it7 s VAL 407 CO -0.01 -0.38 1.01 -0.24 -3.33 0.00 0.00 175.10 172.15 1it7 n SER 408 N 1.70 1.27 0.09 3.54 2.88 -1.26 -1.69 113.62 120.16 1it7 n SER 408 Ca -0.22 1.08 0.07 0.00 -1.33 0.00 0.00 58.87 58.48 1it7 n SER 408 Cb 0.56 -1.33 0.35 0.00 -0.75 0.00 0.00 64.21 63.04 1it7 n SER 408 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1it7 n ARG 409 N 0.38 0.09 0.10 -1.46 1.85 -0.34 -1.89 116.66 115.39 1it7 n ARG 409 Ca 0.09 0.52 0.13 0.00 -1.00 0.00 0.00 57.85 57.59 1it7 n ARG 409 Cb 0.37 -1.74 0.38 0.00 -1.05 0.00 0.00 32.46 30.42 1it7 n ARG 409 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1it7 n TYR 410 N -1.92 0.90 0.56 2.89 4.02 -1.26 -3.28 117.16 119.07 1it7 n TYR 410 Ca 0.00 0.26 0.06 0.00 -0.01 0.00 0.00 57.90 58.21 1it7 n TYR 410 Cb 0.07 -0.91 0.01 0.00 -0.02 0.00 0.00 39.34 38.49 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 -2.25 1.59 0.21 7.72 4.77 -0.79 -4.55 117.00 123.70 1it7 n LEU 411 Ca 0.05 -0.83 0.13 0.00 -0.03 0.00 0.00 56.01 55.34 1it7 n LEU 411 Cb 0.43 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 42.24 1it7 n LEU 411 CO 0.31 0.30 0.92 0.77 -1.33 0.00 0.00 177.39 178.36 1it7 h SER 412 N 1.73 0.00 -0.16 -1.43 4.64 -1.54 0.18 113.55 116.98 1it7 h SER 412 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1it7 h SER 412 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1it7 h SER 412 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1it7 n LEU 413 N -2.45 3.03 -4.58 5.97 4.77 -1.26 -3.65 117.00 118.83 1it7 n LEU 413 Ca -0.02 -1.20 -0.34 0.00 -0.03 0.00 0.00 56.01 54.42 1it7 n LEU 413 Cb 0.09 -0.09 -0.11 0.00 -2.33 0.00 0.00 43.42 40.97 1it7 n LEU 413 CO 0.12 0.58 -0.38 -0.89 -1.33 0.00 0.00 177.39 175.48 1it7 s THR 414 N -1.66 3.67 0.35 -5.08 2.01 0.64 -3.55 115.64 112.02 1it7 s THR 414 Ca 0.30 -0.53 -0.28 0.00 0.31 0.00 0.00 61.69 61.48 1it7 s THR 414 Cb 0.19 -2.51 -0.12 0.00 0.01 0.00 0.00 72.50 70.08 1it7 s THR 414 CO 0.28 0.57 1.36 0.00 -0.69 0.00 0.00 174.62 176.14 1it7 n TYR 415 N 2.13 2.51 -0.04 4.92 9.36 0.72 -1.15 117.16 135.62 1it7 n TYR 415 Ca -0.17 0.52 0.11 0.00 3.32 0.00 0.00 57.90 61.67 1it7 n TYR 415 Cb 0.53 -2.45 0.29 0.00 -0.63 0.00 0.00 39.34 37.07 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 0.53 2.53 0.16 2.98 -0.04 -1.26 -4.89 135.00 135.00 1it7 n PRO 416 Ca 0.04 -2.37 -0.14 0.00 -0.04 0.00 0.00 63.50 60.99 1it7 n PRO 416 Cb 0.37 -1.52 -0.08 0.00 -0.04 0.00 0.00 33.50 32.23 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 3.96 -0.31 -0.00 0.54 -1.00 -1.42 -3.16 116.94 115.55 1it7 h PHE 417 Ca 0.00 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 1it7 h PHE 417 Cb 0.90 0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.56 1it7 h PHE 417 CO 0.41 -0.16 -0.06 0.00 -1.61 0.00 0.00 178.31 176.89 1it7 h ALA 418 N 0.38 0.01 0.00 2.45 0.00 -1.54 -3.35 119.26 117.20 1it7 h ALA 418 Ca -0.03 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 1it7 h ALA 418 Cb 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1it7 h ALA 418 CO 0.06 -0.07 -0.11 1.04 0.00 0.00 0.00 179.25 180.17 1it7 n GLN 419 N -4.67 1.29 -4.13 0.00 1.13 -1.23 -4.80 117.38 104.97 1it7 n GLN 419 Ca -0.09 -0.58 -0.11 0.00 -1.94 0.00 0.00 57.00 54.27 1it7 n GLN 419 Cb 0.41 -1.73 -0.08 0.00 0.11 0.00 0.00 30.24 28.94 1it7 n GLN 419 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1it7 s SER 420 N 2.24 0.08 -0.15 1.08 1.04 -1.20 0.14 113.70 116.93 1it7 s SER 420 Ca 0.39 -1.24 -0.20 0.00 0.48 0.00 0.00 55.95 55.39 1it7 s SER 420 Cb 0.19 0.44 0.05 0.00 0.10 0.00 0.00 66.02 66.80 1it7 s SER 420 CO 0.00 -0.93 0.52 -0.70 0.98 0.00 0.00 173.24 173.11 1it7 s GLU 421 N -4.11 0.69 0.00 4.02 2.12 0.47 -4.83 118.70 117.06 1it7 s GLU 421 Ca 0.33 0.54 0.00 0.00 0.36 0.00 0.00 54.97 56.20 1it7 s GLU 421 Cb 0.05 0.33 0.00 0.00 0.26 0.00 0.00 34.13 34.76 1it7 s GLU 421 CO 0.11 -0.13 0.00 0.00 -0.54 0.00 0.00 175.26 174.70 1it7 n ALA 422 N 2.31 0.00 -0.15 6.30 0.00 -1.26 -0.98 120.51 126.73 1it7 n ALA 422 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.18 1it7 n ALA 422 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.00 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 0.79 -6.28 0.00 3.07 -1.97 -3.44 114.58 106.75 1it7 h GLU 423 Ca 0.00 -0.27 -0.58 0.00 -0.50 0.00 0.00 59.36 58.01 1it7 h GLU 423 Cb 0.00 -0.06 -0.09 0.00 -0.84 0.00 0.00 28.75 27.76 1it7 h GLU 423 CO 0.00 0.88 -0.62 -0.51 -1.40 0.00 0.00 179.01 177.36 1it7 s ASP 424 N -6.33 4.98 0.17 1.42 1.01 -1.26 -5.12 116.67 111.54 1it7 s ASP 424 Ca -0.13 -0.36 -0.17 0.00 0.71 0.00 0.00 52.55 52.61 1it7 s ASP 424 Cb 0.11 -1.12 -0.07 0.00 1.01 0.00 0.00 42.92 42.84 1it7 s ASP 424 CO 0.81 0.06 0.62 -1.81 0.21 0.00 0.00 175.17 175.07 1it7 s ASP 425 N -3.16 6.93 -0.27 0.27 1.01 -1.26 -4.88 116.67 115.31 1it7 s ASP 425 Ca 0.29 1.23 -0.15 0.00 0.71 0.00 0.00 52.55 54.63 1it7 s ASP 425 Cb -0.09 -2.35 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 1it7 s ASP 425 CO 0.20 0.08 0.36 0.12 0.21 0.00 0.00 175.17 176.14 1it7 s PHE 426 N -1.47 3.24 -0.56 4.23 5.36 -1.26 -4.95 117.98 122.57 1it7 s PHE 426 Ca 0.40 0.36 -0.23 0.00 -0.96 0.00 0.00 56.93 56.50 1it7 s PHE 426 Cb -0.16 -2.57 0.05 0.00 -0.34 0.00 0.00 43.02 40.00 1it7 s PHE 426 CO 0.20 -0.24 0.91 0.15 -1.46 0.00 0.00 175.22 174.78 1it7 s LYS 427 N 2.05 3.29 0.30 10.12 1.02 -1.26 -5.02 119.74 130.23 1it7 s LYS 427 Ca 0.14 -0.38 -0.29 0.00 0.02 0.00 0.00 55.97 55.46 1it7 s LYS 427 Cb -0.16 -4.07 -0.10 0.00 -0.52 0.00 0.00 37.83 32.98 1it7 s LYS 427 CO 0.10 -1.49 1.24 0.96 -0.92 0.00 0.00 175.35 175.25 1it7 s ILE 428 N 3.82 3.03 -0.40 2.17 -4.36 -1.26 -4.99 121.20 119.20 1it7 s ILE 428 Ca 0.28 1.01 -0.15 0.00 -0.26 0.00 0.00 60.65 61.53 1it7 s ILE 428 Cb -0.14 -3.64 0.02 0.00 1.25 0.00 0.00 42.46 39.95 1it7 s ILE 428 CO 0.18 0.23 0.29 -1.61 0.24 0.00 0.00 174.94 174.27 1it7 s GLU 429 N -1.44 3.02 0.76 0.37 8.01 -1.26 -5.07 118.70 123.09 1it7 s GLU 429 Ca 0.49 -0.98 -0.12 0.00 0.01 0.00 0.00 54.97 54.37 1it7 s GLU 429 Cb -0.37 -3.96 0.06 0.00 -4.31 0.00 0.00 34.13 25.55 1it7 s GLU 429 CO 0.47 -0.72 1.11 0.15 0.01 0.00 0.00 175.26 176.28 1it7 s LYS 430 N 1.68 2.20 1.09 1.61 1.02 -1.26 -4.85 119.74 121.24 1it7 s LYS 430 Ca 0.05 1.30 -0.18 0.00 0.02 0.00 0.00 55.97 57.16 1it7 s LYS 430 Cb -0.19 -1.88 0.25 0.00 -0.52 0.00 0.00 37.83 35.49 1it7 s LYS 430 CO 0.10 -1.70 1.25 -2.14 -0.92 0.00 0.00 175.35 171.94 1it7 s PRO 431 N -4.64 -0.39 0.48 -1.68 0.02 -1.25 -5.07 135.00 122.46 1it7 s PRO 431 Ca 0.64 -0.35 0.02 0.00 0.02 0.00 0.00 61.00 61.32 1it7 s PRO 431 Cb -0.19 -1.72 -0.02 0.00 0.02 0.00 0.00 34.50 32.59 1it7 s PRO 431 CO 0.53 -3.11 0.03 0.95 -0.33 0.00 0.00 177.00 175.06 1it7 s THR 432 N -3.55 1.10 0.28 0.99 -4.23 -1.26 -4.89 115.64 104.08 1it7 s THR 432 Ca 0.74 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.45 1it7 s THR 432 Cb -0.05 -2.25 0.18 0.00 1.34 0.00 0.00 72.50 71.72 1it7 s THR 432 CO 0.55 0.00 1.86 0.11 -0.54 0.00 0.00 174.62 176.59 1it7 h LYS 433 N 1.46 0.00 -0.00 3.99 1.57 -1.99 -1.54 116.57 120.06 1it7 h LYS 433 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1it7 h LYS 433 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1it7 h LYS 433 CO 0.71 0.29 -0.74 0.39 -0.57 0.00 0.00 179.45 179.53 1it7 n GLU 434 N -3.68 0.15 -0.09 3.15 4.71 -1.26 -4.44 120.64 119.18 1it7 n GLU 434 Ca -0.01 -0.11 -0.23 0.00 -0.01 0.00 0.00 57.16 56.80 1it7 n GLU 434 Cb 0.40 -1.50 -0.12 0.00 -1.01 0.00 0.00 31.44 29.22 1it7 n GLU 434 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1it7 n ASP 435 N -1.33 1.93 0.00 1.62 -0.08 -0.91 -4.74 116.55 113.05 1it7 n ASP 435 Ca 0.05 0.35 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 1it7 n ASP 435 Cb 0.34 -0.91 0.00 0.00 2.34 0.00 0.00 41.12 42.90 1it7 n ASP 435 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1it7 n ALA 436 N -3.47 0.00 -0.35 -1.67 0.00 -0.63 0.70 120.51 115.09 1it7 n ALA 436 Ca -0.36 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.35 1it7 n ALA 436 Cb 0.79 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.81 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 0.41 -0.20 0.00 6.09 -1.88 0.65 117.51 122.57 1it7 h ILE 437 Ca 0.00 -0.09 -0.01 0.00 -1.37 0.00 0.00 64.86 63.39 1it7 h ILE 437 Cb 0.00 0.11 -0.01 0.00 0.47 0.00 0.00 36.82 37.39 1it7 h ILE 437 CO 0.00 0.05 0.08 0.50 -3.07 0.00 0.00 178.15 175.71 1it7 h LYS 438 N 0.28 0.28 0.25 2.19 1.63 -0.02 -0.30 116.57 120.87 1it7 h LYS 438 Ca 0.65 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.41 1it7 h LYS 438 Cb 1.86 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.43 1it7 h LYS 438 CO -0.30 0.23 -0.12 1.88 -3.45 0.00 0.00 179.45 177.69 1it7 h TYR 439 N 0.28 -0.32 -0.89 1.91 -1.99 0.32 -1.97 116.97 114.31 1it7 h TYR 439 Ca 0.07 -0.01 0.18 0.00 2.00 0.00 0.00 58.73 60.97 1it7 h TYR 439 Cb 0.06 0.10 -0.11 0.00 2.00 0.00 0.00 36.73 38.79 1it7 h TYR 439 CO 0.00 0.05 0.46 0.28 -0.00 0.00 0.00 178.16 178.95 1it7 h VAL 440 N -0.87 0.65 -0.38 -2.88 2.07 -1.14 0.13 116.25 113.83 1it7 h VAL 440 Ca -0.03 -0.20 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 1it7 h VAL 440 Cb 0.51 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1it7 h VAL 440 CO 0.06 0.11 0.01 0.24 0.02 0.00 0.00 177.57 178.00 1it7 h MET 441 N 0.58 0.67 -0.41 1.57 2.86 -1.08 -1.41 114.93 117.70 1it7 h MET 441 Ca 0.51 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.94 1it7 h MET 441 Cb 0.82 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.40 1it7 h MET 441 CO -0.42 0.76 0.23 0.00 1.06 0.00 0.00 176.91 178.55 1it7 h ALA 442 N 0.88 0.53 -0.20 6.32 0.00 -0.28 -1.12 119.26 125.38 1it7 h ALA 442 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1it7 h ALA 442 Cb 0.46 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1it7 h ALA 442 CO 0.02 0.04 0.13 0.82 0.00 0.00 0.00 179.25 180.27 1it7 h ILE 443 N 0.53 1.06 0.21 0.00 2.04 -0.73 -1.33 117.51 119.28 1it7 h ILE 443 Ca 0.14 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.91 1it7 h ILE 443 Cb 0.04 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1it7 h ILE 443 CO -0.02 0.05 -0.26 0.00 0.00 0.00 0.00 178.15 177.92 1it7 h ALA 444 N 1.07 -0.50 -0.50 1.87 0.00 -1.04 1.58 119.26 121.73 1it7 h ALA 444 Ca 0.07 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.05 1it7 h ALA 444 Cb -0.03 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1it7 h ALA 444 CO -0.02 -0.82 0.36 1.49 0.00 0.00 0.00 179.25 180.26 1it7 h GLU 445 N -0.52 0.07 0.17 0.00 4.57 -1.08 0.42 114.58 118.22 1it7 h GLU 445 Ca 0.01 -0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 57.89 1it7 h GLU 445 Cb 0.50 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.09 1it7 h GLU 445 CO -0.09 0.05 -1.40 -0.92 -1.18 0.00 0.00 179.01 175.47 1it7 h TYR 446 N 0.07 0.65 0.19 0.92 3.20 0.10 -2.48 116.97 119.62 1it7 h TYR 446 Ca 0.24 -0.48 -0.33 0.00 3.14 0.00 0.00 58.73 61.30 1it7 h TYR 446 Cb 0.85 -0.03 0.01 0.00 1.54 0.00 0.00 36.73 39.11 1it7 h TYR 446 CO -0.00 1.54 -1.58 0.37 -1.64 0.00 0.00 178.16 176.85 1it7 h GLN 447 N -0.11 0.39 0.00 1.82 4.15 0.28 -3.38 115.11 118.26 1it7 h GLN 447 Ca -0.27 -0.67 0.00 0.00 0.77 0.00 0.00 58.65 58.48 1it7 h GLN 447 Cb 1.91 0.25 0.00 0.00 0.21 0.00 0.00 27.48 29.85 1it7 h GLN 447 CO 0.16 1.30 -1.24 1.19 -1.93 0.00 0.00 178.83 178.30 1it7 n PHE 448 N -3.59 0.00 0.00 3.99 0.99 0.14 -4.96 117.46 114.04 1it7 n PHE 448 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.26 1it7 n PHE 448 Cb 1.07 -0.15 0.00 0.00 -1.00 0.00 0.00 39.48 39.40 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 1.43 0.94 3.65 1.37 0.00 -0.93 -4.84 105.19 106.81 1it7 n GLY 449 Ca 0.01 -2.02 -0.55 0.00 0.00 0.00 0.00 46.02 43.46 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 1.23 1.11 0.00 1.61 4.07 -1.25 -1.97 120.64 125.44 1it7 n GLU 450 Ca 0.00 0.40 0.00 0.00 -0.06 0.00 0.00 57.16 57.50 1it7 n GLU 450 Cb 0.00 -2.06 0.00 0.00 -0.06 0.00 0.00 31.44 29.32 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 3.38 3.04 0.39 8.31 0.00 -1.26 -4.95 105.19 114.10 1it7 n GLY 451 Ca 0.23 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.41 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 2.10 -0.59 4.61 0.00 -1.68 -1.57 119.26 122.14 1it7 h ALA 452 Ca 0.00 0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.05 1it7 h ALA 452 Cb 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1it7 h ALA 452 CO 0.00 -0.36 0.40 0.66 0.00 0.00 0.00 179.25 179.95 1it7 h SER 453 N 0.48 0.26 0.00 0.00 4.64 -1.83 -1.48 113.55 115.61 1it7 h SER 453 Ca 0.45 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1it7 h SER 453 Cb 1.01 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1it7 h SER 453 CO -0.18 0.15 0.03 0.54 -0.87 0.00 0.00 176.83 176.50 1it7 n ARG 454 N -4.45 0.00 0.00 4.77 1.74 -0.59 0.93 116.66 119.07 1it7 n ARG 454 Ca 0.10 0.25 0.11 0.00 -0.77 0.00 0.00 57.85 57.54 1it7 n ARG 454 Cb 0.46 -1.53 -0.01 0.00 -1.02 0.00 0.00 32.46 30.36 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 -1.23 4.37 0.00 7.54 0.00 -0.56 -4.48 120.51 126.16 1it7 n ALA 455 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1it7 n ALA 455 Cb 0.03 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.52 0.00 -0.30 0.00 3.01 0.27 -4.88 117.46 114.04 1it7 n PHE 456 Ca 0.04 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.44 1it7 n PHE 456 Cb 0.34 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.76 1it7 n PHE 456 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1it7 n ASP 457 N -1.00 -0.69 -0.10 4.37 8.00 -0.65 -0.33 116.55 126.16 1it7 n ASP 457 Ca 0.00 1.28 0.00 0.00 0.71 0.00 0.00 54.79 56.78 1it7 n ASP 457 Cb 0.00 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 1it7 n ASP 457 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1it7 n ASP 458 N -4.94 0.19 -4.92 -2.24 5.75 -1.26 -4.90 116.55 104.22 1it7 n ASP 458 Ca 0.03 -1.94 -0.27 0.00 -0.01 0.00 0.00 54.79 52.61 1it7 n ASP 458 Cb 0.21 -0.09 0.03 0.00 -1.03 0.00 0.00 41.12 40.24 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 -1.80 3.32 -0.20 2.12 0.00 0.56 -4.86 121.76 120.90 1it7 s ALA 459 Ca 0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 51.96 51.27 1it7 s ALA 459 Cb 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.52 1it7 s ALA 459 CO 0.00 -0.73 -0.11 0.21 0.00 0.00 0.00 175.76 175.13 1it7 s LYS 460 N -4.95 3.22 -0.18 0.00 2.20 0.19 -4.89 119.74 115.33 1it7 s LYS 460 Ca 0.53 -0.71 -0.16 0.00 -0.36 0.00 0.00 55.97 55.27 1it7 s LYS 460 Cb -0.10 -2.81 -0.04 0.00 -1.51 0.00 0.00 37.83 33.36 1it7 s LYS 460 CO 0.45 -0.18 0.41 0.08 -0.36 0.00 0.00 175.35 175.75 1it7 s VAL 461 N 1.34 5.21 0.28 4.02 1.01 -1.26 -1.62 120.40 129.37 1it7 s VAL 461 Ca 0.04 0.76 -0.12 0.00 0.00 0.00 0.00 61.98 62.66 1it7 s VAL 461 Cb -0.14 -3.74 -0.08 0.00 0.00 0.00 0.00 36.38 32.42 1it7 s VAL 461 CO -0.06 0.28 0.64 -1.61 0.00 0.00 0.00 175.10 174.35 1it7 s GLU 462 N 1.05 3.89 0.05 2.72 2.02 0.15 -4.91 118.70 123.67 1it7 s GLU 462 Ca 0.21 0.45 0.06 0.00 0.02 0.00 0.00 54.97 55.71 1it7 s GLU 462 Cb -0.15 -2.54 -0.03 0.00 0.10 0.00 0.00 34.13 31.51 1it7 s GLU 462 CO 0.08 0.24 -0.14 -0.51 0.02 0.00 0.00 175.26 174.94 1it7 s LEU 463 N -2.92 2.80 0.00 1.80 1.43 -1.26 -1.48 118.68 119.05 1it7 s LEU 463 Ca 0.50 -0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 53.18 1it7 s LEU 463 Cb -0.11 -1.63 0.09 0.00 0.03 0.00 0.00 46.19 44.58 1it7 s LEU 463 CO 0.20 0.24 0.58 -1.54 0.23 0.00 0.00 176.35 176.06 1it7 n SER 464 N 1.34 0.24 0.19 2.29 3.41 -0.64 -4.89 113.62 115.56 1it7 n SER 464 Ca -0.15 -1.33 0.18 0.00 -0.26 0.00 0.00 58.87 57.31 1it7 n SER 464 Cb 0.52 -0.42 0.79 0.00 -0.26 0.00 0.00 64.21 64.84 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 -6.19 4.33 2.10 -2.01 -3.38 116.57 111.42 1it7 h LYS 465 Ca -0.19 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 57.96 1it7 h LYS 465 Cb 0.56 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.85 1it7 h LYS 465 CO 0.15 0.00 -0.49 0.99 -2.00 0.00 0.00 179.45 178.10 1it7 s THR 466 N -4.43 3.80 0.00 0.07 2.01 -1.26 -4.97 115.64 110.86 1it7 s THR 466 Ca -0.04 -1.43 0.00 0.00 0.31 0.00 0.00 61.69 60.53 1it7 s THR 466 Cb 0.13 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.41 1it7 s THR 466 CO 0.45 -0.24 0.92 0.61 -0.69 0.00 0.00 174.62 175.67 1it7 n GLY 467 N -1.27 1.46 3.77 4.40 0.00 -1.26 -4.84 105.19 107.46 1it7 n GLY 467 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 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 0.64 4.15 0.27 1.61 -1.94 -1.26 -3.86 119.30 118.91 1it7 s MET 468 Ca 0.00 0.39 -0.30 0.00 -1.71 0.00 0.00 55.69 54.07 1it7 s MET 468 Cb 0.00 -3.34 -0.10 0.00 2.01 0.00 0.00 34.83 33.40 1it7 s MET 468 CO 0.00 0.40 1.37 -2.14 -0.01 0.00 0.00 175.02 174.64 1it7 s PRO 469 N -0.15 4.32 0.00 2.03 0.02 -1.26 -1.63 135.00 138.33 1it7 s PRO 469 Ca 0.24 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.48 1it7 s PRO 469 Cb -0.16 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.26 1it7 s PRO 469 CO 0.11 -0.30 0.00 0.54 -0.33 0.00 0.00 177.00 177.02 1it7 n ARG 470 N 1.79 0.00 -2.11 5.54 5.12 -0.55 -4.57 116.66 121.88 1it7 n ARG 470 Ca 0.04 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.54 1it7 n ARG 470 Cb 0.41 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.68 1it7 n ARG 470 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1it7 s GLN 471 N 1.06 4.28 -0.25 5.56 2.00 -1.26 -1.43 119.66 129.61 1it7 s GLN 471 Ca 0.00 2.13 -0.05 0.00 -2.00 0.00 0.00 55.36 55.44 1it7 s GLN 471 Cb 0.00 -3.36 0.00 0.00 0.80 0.00 0.00 33.01 30.45 1it7 s GLN 471 CO 0.00 -0.54 0.00 0.08 -0.50 0.00 0.00 175.29 174.34 1it7 s VAL 472 N 1.65 3.57 0.30 1.34 1.01 0.01 -0.67 120.40 127.60 1it7 s VAL 472 Ca 0.67 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 62.09 1it7 s VAL 472 Cb -0.37 -2.73 -0.06 0.00 0.00 0.00 0.00 36.38 33.22 1it7 s VAL 472 CO 0.30 0.27 -0.02 -0.54 0.00 0.00 0.00 175.10 175.11 1it7 s LYS 473 N 1.47 1.59 -0.28 2.72 1.02 -0.64 -0.12 119.74 125.51 1it7 s LYS 473 Ca 0.04 -1.84 -0.18 0.00 0.02 0.00 0.00 55.97 54.01 1it7 s LYS 473 Cb -0.16 -1.08 0.09 0.00 -0.52 0.00 0.00 37.83 36.16 1it7 s LYS 473 CO -0.01 -0.04 0.73 0.54 -0.92 0.00 0.00 175.35 175.66 1it7 s VAL 474 N -3.09 0.00 -0.49 3.17 0.11 -1.25 0.54 120.40 119.38 1it7 s VAL 474 Ca 0.32 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.32 1it7 s VAL 474 Cb 0.06 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.95 1it7 s VAL 474 CO 0.13 0.00 0.11 -0.46 -3.33 0.00 0.00 175.10 171.55 1it7 n ASN 475 N 3.85 -0.26 0.00 3.54 6.94 -1.26 -4.24 115.26 123.83 1it7 n ASN 475 Ca -0.18 -0.35 0.00 0.00 -0.02 0.00 0.00 54.58 54.03 1it7 n ASN 475 Cb 0.58 -0.44 0.00 0.00 -2.36 0.00 0.00 39.78 37.56 1it7 n ASN 475 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1it7 n GLY 476 N -0.91 0.47 0.00 4.83 0.00 -1.26 -5.12 105.19 103.20 1it7 n GLY 476 Ca -0.01 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1it7 n GLY 476 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1it7 n LYS 477 N 0.00 0.00 -2.16 1.61 0.00 -1.26 -4.81 118.16 111.54 1it7 n LYS 477 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 57.89 1it7 n LYS 477 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 1it7 n LYS 477 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1it7 s ARG 478 N 0.00 4.29 -0.01 1.64 3.52 -1.26 -3.85 118.95 123.28 1it7 s ARG 478 Ca 0.00 2.06 -0.17 0.00 -0.13 0.00 0.00 55.73 57.50 1it7 s ARG 478 Cb 0.00 -3.43 -0.34 0.00 -1.56 0.00 0.00 34.95 29.62 1it7 s ARG 478 CO 0.00 -0.54 0.89 -0.07 -0.81 0.00 0.00 175.30 174.78 1it7 h LEU 479 N 7.69 0.70 0.00 -0.88 3.38 -0.83 -3.38 115.31 121.98 1it7 h LEU 479 Ca -0.40 -0.93 0.16 0.00 0.09 0.00 0.00 57.88 56.80 1it7 h LEU 479 Cb 1.20 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1it7 h LEU 479 CO 0.89 1.65 0.48 0.00 0.09 0.00 0.00 178.44 181.55 1it7 n ALA 480 N -2.75 -2.01 -3.04 1.53 0.00 -1.15 -1.53 120.51 111.57 1it7 n ALA 480 Ca -0.18 -0.58 -0.12 0.00 0.00 0.00 0.00 53.44 52.56 1it7 n ALA 480 Cb 1.02 0.23 -0.12 0.00 0.00 0.00 0.00 19.45 20.58 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 -2.16 0.00 -0.07 0.00 2.01 0.21 -0.81 115.64 114.82 1it7 s THR 481 Ca 0.17 -0.03 -0.25 0.00 0.31 0.00 0.00 61.69 61.88 1it7 s THR 481 Cb -0.01 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.24 1it7 s THR 481 CO 0.02 -0.02 0.78 -0.69 -0.69 0.00 0.00 174.62 174.02 1it7 s VAL 482 N 0.01 4.98 0.29 3.82 1.01 -0.52 0.59 120.40 130.58 1it7 s VAL 482 Ca -0.01 1.61 -0.28 0.00 0.00 0.00 0.00 61.98 63.30 1it7 s VAL 482 Cb -0.01 -4.12 -0.09 0.00 0.00 0.00 0.00 36.38 32.15 1it7 s VAL 482 CO 0.00 0.19 1.02 -0.13 0.00 0.00 0.00 175.10 176.18 1it7 s ARG 483 N 1.11 4.64 0.18 2.72 0.52 0.56 -4.65 118.95 124.03 1it7 s ARG 483 Ca 0.41 1.59 -0.04 0.00 -0.52 0.00 0.00 55.73 57.18 1it7 s ARG 483 Cb -0.18 -3.08 0.09 0.00 0.52 0.00 0.00 34.95 32.30 1it7 s ARG 483 CO 0.19 0.28 1.49 0.00 0.02 0.00 0.00 175.30 177.28 1it7 h ALA 484 N 3.66 0.67 -0.60 2.13 0.00 -1.91 0.87 119.26 124.08 1it7 h ALA 484 Ca -0.46 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 53.83 1it7 h ALA 484 Cb 1.21 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1it7 h ALA 484 CO 0.66 0.69 -0.00 0.38 0.00 0.00 0.00 179.25 180.99 1it7 h ASP 485 N 0.43 1.03 0.00 0.00 3.04 -1.97 -3.38 116.42 115.56 1it7 h ASP 485 Ca 0.00 -0.29 0.00 0.00 -3.24 0.00 0.00 57.03 53.50 1it7 h ASP 485 Cb 1.12 -0.28 0.00 0.00 -1.04 0.00 0.00 39.33 39.14 1it7 h ASP 485 CO 0.11 1.08 0.00 -0.90 -2.04 0.00 0.00 179.24 177.48 1it7 n ASP 486 N -4.18 0.44 -1.47 4.15 3.85 -1.24 -4.96 116.55 113.15 1it7 n ASP 486 Ca 0.03 -1.04 -0.15 0.00 -0.71 0.00 0.00 54.79 52.92 1it7 n ASP 486 Cb 0.35 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 40.08 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 -0.02 0.61 3.71 6.12 0.00 0.30 -0.20 105.19 115.71 1it7 n GLY 487 Ca 0.00 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.95 3.46 0.15 0.99 1.43 -1.26 -4.39 118.68 115.11 1it7 s LEU 488 Ca 0.00 -0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 52.48 1it7 s LEU 488 Cb 0.00 -2.09 -0.07 0.00 0.03 0.00 0.00 46.19 44.06 1it7 s LEU 488 CO 0.00 0.08 0.92 -0.76 0.23 0.00 0.00 176.35 176.82 1it7 s LEU 489 N -3.04 4.55 -0.26 1.79 1.43 -1.26 -0.32 118.68 121.56 1it7 s LEU 489 Ca 0.29 1.80 -0.06 0.00 -1.03 0.00 0.00 54.13 55.13 1it7 s LEU 489 Cb -0.09 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.59 1it7 s LEU 489 CO 0.20 0.03 0.03 -0.89 0.23 0.00 0.00 176.35 175.95 1it7 s THR 490 N -0.44 3.77 0.15 5.49 2.01 0.20 -4.89 115.64 121.92 1it7 s THR 490 Ca 0.44 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 61.56 1it7 s THR 490 Cb -0.24 -2.85 -0.07 0.00 0.01 0.00 0.00 72.50 69.36 1it7 s THR 490 CO 0.30 0.23 1.05 -0.76 -0.69 0.00 0.00 174.62 174.74 1it7 s LEU 491 N 1.50 4.49 0.36 4.42 1.43 -1.26 -0.62 118.68 128.99 1it7 s LEU 491 Ca 0.04 1.96 0.07 0.00 -1.03 0.00 0.00 54.13 55.17 1it7 s LEU 491 Cb -0.16 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.46 1it7 s LEU 491 CO 0.00 -0.16 0.45 -0.83 0.23 0.00 0.00 176.35 176.05 1it7 s GLY 492 N -0.03 1.75 0.30 -3.19 0.00 -0.58 -4.91 107.32 100.66 1it7 s GLY 492 Ca 0.49 -1.57 0.04 0.00 0.00 0.00 0.00 44.72 43.68 1it7 s GLY 492 CO 0.32 -1.46 1.80 -2.22 0.00 0.00 0.00 173.10 171.55 1it7 h ILE 493 N 0.91 0.80 -0.32 0.90 1.08 -1.83 -1.37 117.51 117.67 1it7 h ILE 493 Ca -0.44 -0.29 -0.02 0.00 -0.39 0.00 0.00 64.86 63.72 1it7 h ILE 493 Cb 1.26 -0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 34.87 1it7 h ILE 493 CO 0.52 0.16 0.12 -0.08 -0.69 0.00 0.00 178.15 178.17 1it7 h GLU 494 N 0.85 0.49 -0.07 2.37 4.57 -1.82 -1.48 114.58 119.50 1it7 h GLU 494 Ca 0.54 -0.10 -0.06 0.00 -1.18 0.00 0.00 59.36 58.56 1it7 h GLU 494 Cb 0.73 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 1it7 h GLU 494 CO -0.33 0.51 -0.23 0.78 -1.18 0.00 0.00 179.01 178.56 1it7 h GLY 495 N 0.37 0.13 1.00 1.92 0.00 -0.74 -2.55 103.07 103.21 1it7 h GLY 495 Ca 0.11 -0.09 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 1it7 h GLY 495 CO -0.01 0.08 -0.09 0.00 0.00 0.00 0.00 176.54 176.52 1it7 h ALA 496 N 1.65 0.59 -0.63 3.60 0.00 -0.85 -1.91 119.26 121.71 1it7 h ALA 496 Ca 0.02 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1it7 h ALA 496 Cb 0.48 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1it7 h ALA 496 CO 0.03 0.46 0.39 0.87 0.00 0.00 0.00 179.25 181.00 1it7 h LYS 497 N 0.65 0.74 0.16 0.00 1.57 -0.89 -0.66 116.57 118.14 1it7 h LYS 497 Ca 0.11 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1it7 h LYS 497 Cb 0.62 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1it7 h LYS 497 CO 0.04 0.49 -0.07 0.00 -0.57 0.00 0.00 179.45 179.34 1it7 h ARG 498 N 0.76 -0.20 -0.78 3.15 3.08 -1.31 -2.31 114.38 116.77 1it7 h ARG 498 Ca 0.25 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.42 1it7 h ARG 498 Cb 0.02 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.04 1it7 h ARG 498 CO -0.10 -0.08 0.41 -0.07 -1.07 0.00 0.00 179.97 179.06 1it7 h LEU 499 N -0.27 0.55 -0.94 3.04 -0.00 -1.07 -0.11 115.31 116.52 1it7 h LEU 499 Ca -0.02 0.06 0.08 0.00 -0.00 0.00 0.00 57.88 58.00 1it7 h LEU 499 Cb 0.21 -0.04 -0.07 0.00 -0.00 0.00 0.00 40.66 40.77 1it7 h LEU 499 CO 0.04 0.30 0.59 -0.74 -0.00 0.00 0.00 178.44 178.63 1it7 h HIS 500 N 0.68 1.08 0.00 1.13 2.76 -0.75 0.49 115.15 120.53 1it7 h HIS 500 Ca 0.39 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.49 1it7 h HIS 500 Cb 0.41 -0.35 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 1it7 h HIS 500 CO -0.09 0.51 -0.97 0.07 -1.30 0.00 0.00 177.93 176.16 1it7 h ARG 501 N 1.03 0.00 0.05 5.26 0.11 -0.86 -3.35 114.38 116.62 1it7 h ARG 501 Ca 0.42 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 60.24 1it7 h ARG 501 Cb 0.26 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.32 1it7 h ARG 501 CO -0.20 0.25 -1.33 0.28 0.10 0.00 0.00 179.97 179.07 1it7 h VAL 502 N 0.00 1.35 -3.27 0.08 2.07 -0.49 -3.45 116.25 112.54 1it7 h VAL 502 Ca -0.07 -3.05 -0.62 0.00 0.82 0.00 0.00 66.70 63.78 1it7 h VAL 502 Cb 1.35 2.75 -0.16 0.00 -1.52 0.00 0.00 31.29 33.71 1it7 h VAL 502 CO 0.04 0.82 -0.56 -0.76 0.02 0.00 0.00 177.57 177.13 1it7 s LEU 503 N -6.73 3.82 0.52 2.57 1.43 0.17 -4.97 118.68 115.48 1it7 s LEU 503 Ca -0.04 0.09 -0.20 0.00 -1.03 0.00 0.00 54.13 52.95 1it7 s LEU 503 Cb 0.08 -1.96 -0.07 0.00 0.03 0.00 0.00 46.19 44.28 1it7 s LEU 503 CO 0.84 0.19 1.12 -2.16 0.23 0.00 0.00 176.35 176.56 1it7 s PRO 504 N 0.30 3.51 0.49 1.29 0.04 -1.26 -4.72 135.00 134.65 1it7 s PRO 504 Ca 0.03 1.59 -0.23 0.00 0.04 0.00 0.00 61.00 62.43 1it7 s PRO 504 Cb -0.12 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 32.26 1it7 s PRO 504 CO 0.00 -0.71 1.30 0.98 0.04 0.00 0.00 177.00 178.61 1it7 n TYR 505 N -1.10 2.17 -0.36 0.56 9.36 -1.26 -1.90 117.16 124.63 1it7 n TYR 505 Ca 0.10 0.46 0.09 0.00 3.32 0.00 0.00 57.90 61.87 1it7 n TYR 505 Cb 0.51 -2.36 0.32 0.00 -0.63 0.00 0.00 39.34 37.18 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 -0.47 3.33 -1.67 2.98 -0.04 -1.26 -5.12 135.00 132.75 1it7 n PRO 506 Ca 0.08 -2.58 -0.58 0.00 -0.04 0.00 0.00 63.50 60.39 1it7 n PRO 506 Cb 0.42 -1.79 -0.07 0.00 -0.04 0.00 0.00 33.50 32.02 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 1.10 0.86 -0.99 0.54 1.74 -0.80 -0.32 116.66 118.80 1it7 n ARG 507 Ca 0.23 0.31 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 1it7 n ARG 507 Cb 0.78 -1.94 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 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 4.04 -1.24 -3.49 5.56 2.81 -1.26 -4.92 117.12 118.62 1it7 n MET 508 Ca 0.24 0.31 -0.34 0.00 -1.81 0.00 0.00 57.70 56.11 1it7 n MET 508 Cb 0.11 -4.27 -0.05 0.00 -0.71 0.00 0.00 33.22 28.30 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 -1.26 3.80 -0.30 0.03 3.00 0.57 0.23 118.95 125.02 1it7 s ARG 509 Ca 0.00 0.24 -0.01 0.00 0.00 0.00 0.00 55.73 55.97 1it7 s ARG 509 Cb 0.00 -2.85 0.09 0.00 0.00 0.00 0.00 34.95 32.19 1it7 s ARG 509 CO 0.00 0.45 0.08 0.08 0.00 0.00 0.00 175.30 175.91 1it7 s VAL 510 N -1.58 0.99 -0.16 3.52 1.01 -0.46 -1.14 120.40 122.57 1it7 s VAL 510 Ca 0.40 -1.38 -0.27 0.00 0.00 0.00 0.00 61.98 60.73 1it7 s VAL 510 Cb -0.13 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1it7 s VAL 510 CO 0.20 -0.58 0.90 -0.69 0.00 0.00 0.00 175.10 174.93 1it7 s VAL 511 N 1.57 4.83 0.32 2.92 1.01 0.24 -1.33 120.40 129.95 1it7 s VAL 511 Ca 0.08 1.78 0.08 0.00 0.00 0.00 0.00 61.98 63.92 1it7 s VAL 511 Cb -0.17 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 1it7 s VAL 511 CO -0.21 -0.01 0.20 0.68 0.00 0.00 0.00 175.10 175.76 1it7 s VAL 512 N 2.28 3.54 0.74 2.92 -7.23 0.36 -0.76 120.40 122.26 1it7 s VAL 512 Ca 0.41 -1.52 -0.16 0.00 -1.81 0.00 0.00 61.98 58.90 1it7 s VAL 512 Cb -0.17 -3.13 -0.03 0.00 0.56 0.00 0.00 36.38 33.61 1it7 s VAL 512 CO 0.13 -0.23 0.55 -3.20 -0.31 0.00 0.00 175.10 172.04 1it7 n ASN 513 N -1.23 -1.16 -0.06 4.85 5.15 0.52 -4.47 115.26 118.87 1it7 n ASN 513 Ca -0.04 0.57 -0.05 0.00 -0.60 0.00 0.00 54.58 54.46 1it7 n ASN 513 Cb 0.60 -1.23 0.15 0.00 -0.53 0.00 0.00 39.78 38.77 1it7 n ASN 513 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1it7 h LYS 514 N -0.47 0.68 -0.09 1.20 6.56 -1.99 -1.60 116.57 120.87 1it7 h LYS 514 Ca -0.45 -0.24 -0.08 0.00 -1.06 0.00 0.00 60.65 58.82 1it7 h LYS 514 Cb 1.34 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.94 1it7 h LYS 514 CO 0.42 0.81 -0.29 1.49 -2.06 0.00 0.00 179.45 179.82 1it7 h GLU 515 N 0.61 0.15 0.00 3.15 4.81 -1.97 -2.93 114.58 118.40 1it7 h GLU 515 Ca 0.10 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1it7 h GLU 515 Cb 0.63 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1it7 h GLU 515 CO 0.04 0.44 -0.32 0.00 -0.73 0.00 0.00 179.01 178.44 1it7 h ALA 516 N 1.57 0.84 -0.43 2.92 0.00 -1.72 -3.39 119.26 119.05 1it7 h ALA 516 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1it7 h ALA 516 Cb 0.59 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 1it7 h ALA 516 CO 0.04 0.00 -0.41 1.49 0.00 0.00 0.00 179.25 180.37 1it7 h GLU 517 N 0.00 -0.29 -0.74 0.00 4.81 -1.12 -2.44 114.58 114.80 1it7 h GLU 517 Ca 0.00 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.37 1it7 h GLU 517 Cb 0.98 0.07 -0.09 0.00 0.63 0.00 0.00 28.75 30.34 1it7 h GLU 517 CO 0.00 -0.19 0.32 -1.35 -0.73 0.00 0.00 179.01 177.06 1it7 h PRO 518 N -0.30 0.49 -0.38 0.92 0.11 -1.77 -1.88 132.00 129.19 1it7 h PRO 518 Ca 0.15 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.20 1it7 h PRO 518 Cb 0.58 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.56 1it7 h PRO 518 CO -0.58 0.32 0.12 0.74 -0.21 0.00 0.00 178.00 178.39 1it7 h PHE 519 N 0.50 0.61 -0.73 0.65 -1.00 -1.71 -2.29 116.94 112.96 1it7 h PHE 519 Ca 0.39 -0.06 -0.06 0.00 2.81 0.00 0.00 57.97 61.05 1it7 h PHE 519 Cb 0.53 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 39.89 1it7 h PHE 519 CO -0.14 0.58 0.23 0.00 -1.61 0.00 0.00 178.31 177.37 1it7 h ALA 520 N 0.96 1.02 -0.68 2.45 0.00 -1.10 -0.11 119.26 121.80 1it7 h ALA 520 Ca 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1it7 h ALA 520 Cb 0.26 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1it7 h ALA 520 CO -0.00 0.66 0.40 0.00 0.00 0.00 0.00 179.25 180.30 1it7 h ARG 521 N 1.09 0.93 0.00 0.00 3.08 -1.15 -0.57 114.38 117.76 1it7 h ARG 521 Ca 0.24 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1it7 h ARG 521 Cb 0.30 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1it7 h ARG 521 CO -0.01 0.66 0.00 1.63 -1.07 0.00 0.00 179.97 181.18 1it7 n LYS 522 N -4.39 0.15 -0.19 0.04 4.01 -0.83 -1.74 118.16 115.21 1it7 n LYS 522 Ca 0.07 0.06 0.00 0.00 -0.51 0.00 0.00 58.31 57.93 1it7 n LYS 522 Cb 0.08 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.10 1it7 n LYS 522 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1it7 n GLY 523 N 1.00 0.72 3.65 0.72 0.00 -0.22 -4.76 105.19 106.30 1it7 n GLY 523 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1it7 n GLY 523 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1it7 s LYS 524 N -0.81 0.61 0.56 1.61 -0.14 -0.12 -4.71 119.74 116.74 1it7 s LYS 524 Ca 0.00 0.97 -0.16 0.00 -1.36 0.00 0.00 55.97 55.42 1it7 s LYS 524 Cb 0.00 -1.72 -0.05 0.00 -1.68 0.00 0.00 37.83 34.37 1it7 s LYS 524 CO 0.00 -2.73 1.03 -0.51 -0.76 0.00 0.00 175.35 172.38 1it7 s ASP 525 N -3.02 6.14 -0.16 2.83 1.01 -1.26 -4.51 116.67 117.70 1it7 s ASP 525 Ca 0.65 1.72 -0.16 0.00 0.71 0.00 0.00 52.55 55.48 1it7 s ASP 525 Cb -0.21 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.15 1it7 s ASP 525 CO 0.59 -0.92 0.37 -0.69 0.21 0.00 0.00 175.17 174.74 1it7 s VAL 526 N -2.51 5.25 -0.14 -1.27 1.01 -0.63 -4.86 120.40 117.24 1it7 s VAL 526 Ca 0.62 0.71 -0.06 0.00 0.00 0.00 0.00 61.98 63.24 1it7 s VAL 526 Cb -0.14 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1it7 s VAL 526 CO 0.34 0.34 0.08 -0.36 0.00 0.00 0.00 175.10 175.50 1it7 s PHE 527 N 0.73 3.36 0.28 5.22 0.40 -1.26 0.14 117.98 126.84 1it7 s PHE 527 Ca 0.20 0.28 -0.06 0.00 -0.60 0.00 0.00 56.93 56.75 1it7 s PHE 527 Cb -0.14 -1.98 0.52 0.00 0.51 0.00 0.00 43.02 41.93 1it7 s PHE 527 CO 0.07 0.43 1.53 0.00 0.70 0.00 0.00 175.22 177.95 1it7 n ALA 528 N 2.71 0.29 0.27 5.36 0.00 -0.44 -0.26 120.51 128.44 1it7 n ALA 528 Ca -0.18 1.07 0.14 0.00 0.00 0.00 0.00 53.44 54.47 1it7 n ALA 528 Cb 0.53 -0.67 0.76 0.00 0.00 0.00 0.00 19.45 20.07 1it7 n ALA 528 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1it7 h LYS 529 N 0.00 0.00 -0.01 0.00 2.10 -1.68 0.34 116.57 117.32 1it7 h LYS 529 Ca 0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.15 1it7 h LYS 529 Cb 0.83 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.16 1it7 h LYS 529 CO -0.99 0.00 -0.56 1.19 -2.00 0.00 0.00 179.45 177.09 1it7 n PHE 530 N -2.62 0.00 -2.71 0.07 3.01 0.64 -4.87 117.46 110.98 1it7 n PHE 530 Ca -0.02 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.01 1it7 n PHE 530 Cb 0.24 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.65 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 -2.63 4.46 -0.16 -4.37 1.01 0.11 -0.36 120.40 118.46 1it7 s VAL 531 Ca 0.17 1.33 0.17 0.00 0.00 0.00 0.00 61.98 63.65 1it7 s VAL 531 Cb 0.18 -4.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 1it7 s VAL 531 CO 0.64 -0.66 1.04 0.16 0.00 0.00 0.00 175.10 176.27 1it7 h ILE 532 N 5.92 0.50 -1.79 2.22 3.07 -1.25 -3.41 117.51 122.76 1it7 h ILE 532 Ca -0.22 -1.87 0.10 0.00 1.55 0.00 0.00 64.86 64.42 1it7 h ILE 532 Cb 1.07 2.05 -0.20 0.00 -0.27 0.00 0.00 36.82 39.46 1it7 h ILE 532 CO 1.04 0.28 0.55 0.12 -1.05 0.00 0.00 178.15 179.09 1it7 s PHE 533 N -3.01 -0.35 -0.03 0.16 5.36 -1.19 -4.96 117.98 113.97 1it7 s PHE 533 Ca -0.00 0.46 -0.30 0.00 -0.96 0.00 0.00 56.93 56.13 1it7 s PHE 533 Cb 0.08 0.48 0.07 0.00 -0.34 0.00 0.00 43.02 43.32 1it7 s PHE 533 CO 0.79 -0.40 0.69 0.00 -1.46 0.00 0.00 175.22 174.84 1it7 s ALA 534 N -1.84 -1.76 -0.10 11.12 0.00 -1.26 0.81 121.76 128.73 1it7 s ALA 534 Ca 0.01 1.21 -0.39 0.00 0.00 0.00 0.00 51.96 52.80 1it7 s ALA 534 Cb -0.01 0.09 -0.16 0.00 0.00 0.00 0.00 23.12 23.04 1it7 s ALA 534 CO -0.02 -0.43 1.53 -3.47 0.00 0.00 0.00 175.76 173.37 1it7 n ASP 535 N 0.70 1.95 0.07 0.00 -0.08 -0.30 -4.72 116.55 114.18 1it7 n ASP 535 Ca -0.18 1.10 0.09 0.00 -1.51 0.00 0.00 54.79 54.29 1it7 n ASP 535 Cb 0.58 -1.16 0.39 0.00 2.34 0.00 0.00 41.12 43.27 1it7 n ASP 535 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1it7 n PRO 536 N 3.88 0.09 0.05 -0.67 -0.02 -1.26 -2.53 135.00 134.54 1it7 n PRO 536 Ca 0.22 0.37 0.12 0.00 -2.02 0.00 0.00 63.50 62.19 1it7 n PRO 536 Cb 0.16 -1.69 0.23 0.00 -0.02 0.00 0.00 33.50 32.17 1it7 n PRO 536 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1it7 n GLY 537 N -0.18 -1.42 3.74 -1.23 0.00 -1.26 -4.55 105.19 100.29 1it7 n GLY 537 Ca 0.02 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1it7 n GLY 537 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1it7 n ILE 538 N -1.99 0.76 -4.41 -0.61 5.41 -1.05 -4.90 119.36 112.56 1it7 n ILE 538 Ca 0.04 -0.19 -0.27 0.00 1.00 0.00 0.00 62.75 63.33 1it7 n ILE 538 Cb 0.42 -1.95 -0.12 0.00 -0.71 0.00 0.00 39.64 37.28 1it7 n ILE 538 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1it7 s ARG 539 N -0.08 1.56 0.04 0.38 1.81 -1.26 -2.02 118.95 119.38 1it7 s ARG 539 Ca 0.67 -1.50 -0.36 0.00 -1.72 0.00 0.00 55.73 52.81 1it7 s ARG 539 Cb -0.50 -1.87 -0.15 0.00 -0.45 0.00 0.00 34.95 31.97 1it7 s ARG 539 CO 0.44 0.40 1.50 -2.30 -0.68 0.00 0.00 175.30 174.67 1it7 n PRO 540 N 0.25 1.47 -0.84 3.54 -0.02 -1.25 -1.50 135.00 136.65 1it7 n PRO 540 Ca -0.12 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1it7 n PRO 540 Cb 0.56 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 3.49 0.00 -1.51 6.00 4.02 0.11 -1.00 117.16 128.27 1it7 n TYR 541 Ca 0.20 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.77 1it7 n TYR 541 Cb 0.21 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.60 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 -2.24 4.94 0.47 7.72 1.01 -0.56 -4.64 116.67 123.38 1it7 s ASP 542 Ca 0.00 1.82 -0.21 0.00 0.71 0.00 0.00 52.55 54.87 1it7 s ASP 542 Cb 0.00 -2.52 -0.09 0.00 1.01 0.00 0.00 42.92 41.32 1it7 s ASP 542 CO 0.00 -1.74 1.02 -1.61 0.21 0.00 0.00 175.17 173.05 1it7 s GLU 543 N -4.68 3.90 0.03 8.23 0.41 -1.26 -1.32 118.70 124.01 1it7 s GLU 543 Ca 0.62 1.33 -0.01 0.00 -0.41 0.00 0.00 54.97 56.51 1it7 s GLU 543 Cb -0.17 -2.15 -0.02 0.00 -1.78 0.00 0.00 34.13 30.01 1it7 s GLU 543 CO 0.51 -0.34 -0.02 0.08 -0.49 0.00 0.00 175.26 174.99 1it7 s VAL 544 N -1.98 0.14 -0.38 2.63 1.01 0.18 -4.82 120.40 117.18 1it7 s VAL 544 Ca 0.66 -1.15 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 1it7 s VAL 544 Cb -0.16 -0.62 0.05 0.00 0.00 0.00 0.00 36.38 35.66 1it7 s VAL 544 CO 0.19 -0.63 0.18 -0.76 0.00 0.00 0.00 175.10 174.08 1it7 s LEU 545 N -1.87 4.71 -0.07 3.92 1.43 0.14 -1.83 118.68 125.11 1it7 s LEU 545 Ca -0.10 -1.25 -0.30 0.00 -1.03 0.00 0.00 54.13 51.45 1it7 s LEU 545 Cb -0.05 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 1it7 s LEU 545 CO -0.03 -0.42 1.15 -0.69 0.23 0.00 0.00 176.35 176.59 1it7 s VAL 546 N 1.44 4.39 0.06 -1.59 1.01 0.10 -1.36 120.40 124.44 1it7 s VAL 546 Ca 0.01 1.70 -0.04 0.00 0.00 0.00 0.00 61.98 63.65 1it7 s VAL 546 Cb -0.21 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 1it7 s VAL 546 CO 0.03 -0.00 0.06 0.54 0.00 0.00 0.00 175.10 175.73 1it7 s VAL 547 N 2.18 0.18 0.63 2.92 0.11 -0.44 -0.28 120.40 125.69 1it7 s VAL 547 Ca 0.54 -1.44 -0.02 0.00 -2.93 0.00 0.00 61.98 58.12 1it7 s VAL 547 Cb -0.23 -1.29 0.13 0.00 -1.53 0.00 0.00 36.38 33.46 1it7 s VAL 547 CO 0.21 -0.80 0.86 -0.46 -3.33 0.00 0.00 175.10 171.58 1it7 n ASN 548 N 0.26 0.94 0.25 3.54 0.23 -1.06 -0.48 115.26 118.93 1it7 n ASN 548 Ca -0.16 -1.84 0.11 0.00 -0.53 0.00 0.00 54.58 52.17 1it7 n ASN 548 Cb 0.61 -0.57 0.67 0.00 -2.08 0.00 0.00 39.78 38.40 1it7 n ASN 548 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1it7 h GLU 549 N 0.00 0.00 -0.21 -3.83 5.08 -1.93 -0.22 114.58 113.47 1it7 h GLU 549 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1it7 h GLU 549 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1it7 h GLU 549 CO 0.28 0.14 0.00 0.09 -1.00 0.00 0.00 179.01 178.53 1it7 n ASN 550 N -3.70 0.75 -3.24 1.42 3.02 -1.26 -4.87 115.26 107.38 1it7 n ASN 550 Ca -0.02 -2.02 -0.23 0.00 -0.03 0.00 0.00 54.58 52.28 1it7 n ASN 550 Cb 0.26 -0.13 0.02 0.00 -0.61 0.00 0.00 39.78 39.32 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 -0.13 -5.20 -4.73 6.41 4.64 -0.09 -4.97 116.55 112.48 1it7 n ASP 551 Ca 0.04 -0.37 -0.38 0.00 -1.38 0.00 0.00 54.79 52.70 1it7 n ASP 551 Cb 0.13 -4.22 -0.06 0.00 -1.04 0.00 0.00 41.12 35.93 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 -5.91 4.31 0.08 -0.67 2.02 -1.26 -4.84 118.70 112.43 1it7 s GLU 552 Ca 0.38 0.39 -0.31 0.00 0.02 0.00 0.00 54.97 55.45 1it7 s GLU 552 Cb -0.18 -3.43 -0.09 0.00 0.10 0.00 0.00 34.13 30.53 1it7 s GLU 552 CO 0.47 0.19 1.82 -1.17 0.02 0.00 0.00 175.26 176.59 1it7 s LEU 553 N 0.53 4.40 -0.20 1.80 1.98 -1.26 -2.56 118.68 123.36 1it7 s LEU 553 Ca 0.24 2.66 0.02 0.00 -2.89 0.00 0.00 54.13 54.16 1it7 s LEU 553 Cb -0.15 -3.55 -0.13 0.00 0.66 0.00 0.00 46.19 43.01 1it7 s LEU 553 CO 0.09 -0.99 -0.17 0.18 -1.89 0.00 0.00 176.35 173.57 1it7 n LEU 554 N 6.24 2.86 -3.77 -0.68 4.77 0.61 -4.81 117.00 122.23 1it7 n LEU 554 Ca 0.18 -0.10 -0.01 0.00 -0.03 0.00 0.00 56.01 56.04 1it7 n LEU 554 Cb 0.40 -0.66 -0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1it7 n LEU 554 CO 0.65 0.82 0.88 0.00 -1.33 0.00 0.00 177.39 178.42 1it7 s ALA 555 N -2.40 -1.88 0.01 -1.18 0.00 -1.06 -0.26 121.76 114.99 1it7 s ALA 555 Ca -0.26 0.16 0.06 0.00 0.00 0.00 0.00 51.96 51.92 1it7 s ALA 555 Cb 0.07 0.61 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 1it7 s ALA 555 CO 0.47 -1.06 -0.17 -0.08 0.00 0.00 0.00 175.76 174.92 1it7 s THR 556 N -2.64 1.38 0.00 0.00 -1.32 -0.50 0.02 115.64 112.58 1it7 s THR 556 Ca 0.17 -0.89 0.00 0.00 -1.21 0.00 0.00 61.69 59.76 1it7 s THR 556 Cb 0.00 -1.17 0.00 0.00 -1.51 0.00 0.00 72.50 69.82 1it7 s THR 556 CO 0.01 0.27 0.00 0.61 -2.21 0.00 0.00 174.62 173.30 1it7 n GLY 557 N 2.33 2.36 3.20 6.08 0.00 -0.76 -0.27 105.19 118.13 1it7 n GLY 557 Ca -0.16 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 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 0.49 2.69 0.48 1.61 0.74 0.55 0.49 119.66 126.71 1it7 s GLN 558 Ca 0.00 -0.81 -0.22 0.00 0.05 0.00 0.00 55.36 54.38 1it7 s GLN 558 Cb 0.00 -2.11 -0.07 0.00 1.10 0.00 0.00 33.01 31.93 1it7 s GLN 558 CO 0.00 0.21 1.16 0.00 -0.55 0.00 0.00 175.29 176.11 1it7 s ALA 559 N 0.24 2.91 -0.29 1.58 0.00 -0.43 -0.20 121.76 125.58 1it7 s ALA 559 Ca -0.14 0.91 0.05 0.00 0.00 0.00 0.00 51.96 52.78 1it7 s ALA 559 Cb -0.16 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1it7 s ALA 559 CO 0.07 -0.68 0.27 1.28 0.00 0.00 0.00 175.76 176.69 1it7 n LEU 560 N -0.67 0.39 -4.28 0.00 4.77 -0.17 0.06 117.00 117.09 1it7 n LEU 560 Ca 0.08 -0.56 -0.15 0.00 -0.03 0.00 0.00 56.01 55.35 1it7 n LEU 560 Cb 0.49 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 1it7 n LEU 560 CO 0.46 0.09 -0.24 -0.76 -1.33 0.00 0.00 177.39 175.61 1it7 s LEU 561 N -2.01 1.50 0.70 2.23 1.43 -1.25 -4.79 118.68 116.48 1it7 s LEU 561 Ca 0.02 -1.40 -0.09 0.00 -1.03 0.00 0.00 54.13 51.63 1it7 s LEU 561 Cb 0.04 0.14 0.03 0.00 0.03 0.00 0.00 46.19 46.44 1it7 s LEU 561 CO 0.18 -0.78 1.05 -0.94 0.23 0.00 0.00 176.35 176.10 1it7 s SER 562 N -3.27 5.20 0.13 2.29 1.04 -1.26 -3.83 113.70 113.99 1it7 s SER 562 Ca 0.38 0.86 -0.30 0.00 0.48 0.00 0.00 55.95 57.37 1it7 s SER 562 Cb 0.07 -1.62 -0.06 0.00 0.10 0.00 0.00 66.02 64.51 1it7 s SER 562 CO 0.14 -1.43 1.57 1.23 0.98 0.00 0.00 173.24 175.73 1it7 h GLY 563 N -0.61 -0.78 0.25 7.32 0.00 -1.53 -1.60 103.07 106.12 1it7 h GLY 563 Ca -0.45 0.57 0.06 0.00 0.00 0.00 0.00 47.33 47.51 1it7 h GLY 563 CO 0.63 -0.21 -0.19 3.21 0.00 0.00 0.00 176.54 179.98 1it7 h ARG 564 N -0.49 -0.18 -1.00 4.80 3.08 -1.84 -1.85 114.38 116.90 1it7 h ARG 564 Ca 0.08 0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.27 1it7 h ARG 564 Cb 0.63 0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.64 1it7 h ARG 564 CO -0.44 -0.12 0.62 0.93 -1.07 0.00 0.00 179.97 179.89 1it7 h GLU 565 N -0.19 0.92 -0.72 0.04 5.08 -1.83 -0.85 114.58 117.03 1it7 h GLU 565 Ca 0.14 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.51 1it7 h GLU 565 Cb 0.39 -0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.37 1it7 h GLU 565 CO -0.35 0.61 0.41 0.52 -1.00 0.00 0.00 179.01 179.20 1it7 h MET 566 N 0.95 0.71 0.42 2.33 2.86 -0.44 0.46 114.93 122.22 1it7 h MET 566 Ca 0.51 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 58.09 1it7 h MET 566 Cb 0.57 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1it7 h MET 566 CO -0.29 0.47 -0.20 0.82 1.06 0.00 0.00 176.91 178.77 1it7 h ILE 567 N 0.73 0.52 -0.30 -1.22 2.04 -1.00 -3.32 117.51 114.95 1it7 h ILE 567 Ca 0.33 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1it7 h ILE 567 Cb 0.24 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1it7 h ILE 567 CO -0.20 0.07 0.16 0.58 0.00 0.00 0.00 178.15 178.76 1it7 h VAL 568 N -0.85 1.13 -4.03 1.67 2.07 -1.00 -3.45 116.25 111.80 1it7 h VAL 568 Ca -0.06 -0.34 -0.55 0.00 0.82 0.00 0.00 66.70 66.57 1it7 h VAL 568 Cb 0.55 0.82 0.13 0.00 -1.52 0.00 0.00 31.29 31.27 1it7 h VAL 568 CO 0.10 0.13 0.66 -0.36 0.02 0.00 0.00 177.57 178.11 1it7 s PHE 569 N -5.86 2.33 0.00 1.57 0.40 0.16 -4.92 117.98 111.66 1it7 s PHE 569 Ca -0.13 1.31 0.00 0.00 -0.60 0.00 0.00 56.93 57.51 1it7 s PHE 569 Cb 0.09 -3.88 0.00 0.00 0.51 0.00 0.00 43.02 39.74 1it7 s PHE 569 CO 0.72 -3.00 0.21 1.04 0.70 0.00 0.00 175.22 174.89 1it7 n GLN 570 N -0.68 2.47 -4.19 0.44 1.13 -1.26 -3.74 117.38 111.54 1it7 n GLN 570 Ca 0.08 -0.21 -0.19 0.00 -1.94 0.00 0.00 57.00 54.74 1it7 n GLN 570 Cb 0.43 -0.67 -0.12 0.00 0.11 0.00 0.00 30.24 29.99 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 -0.41 1.29 0.00 1.08 1.51 -1.26 -3.94 117.35 115.62 1it7 s TYR 571 Ca 0.00 -0.47 0.00 0.00 -1.01 0.00 0.00 57.07 55.59 1it7 s TYR 571 Cb 0.00 -0.72 0.00 0.00 -0.11 0.00 0.00 41.96 41.13 1it7 s TYR 571 CO 0.00 0.08 0.00 0.41 -1.11 0.00 0.00 175.55 174.93 1it7 n GLY 572 N 1.18 -0.39 3.78 0.71 0.00 -1.26 -4.73 105.19 104.48 1it7 n GLY 572 Ca -0.20 -1.69 -0.39 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.55 4.57 -0.18 1.61 0.52 -1.26 -1.33 118.95 120.32 1it7 s ARG 573 Ca 0.00 1.18 0.03 0.00 -0.52 0.00 0.00 55.73 56.42 1it7 s ARG 573 Cb 0.00 -3.17 -0.22 0.00 0.52 0.00 0.00 34.95 32.08 1it7 s ARG 573 CO 0.00 0.51 0.13 0.00 0.02 0.00 0.00 175.30 175.96 1it7 n ALA 574 N 1.36 1.28 -3.07 2.13 0.00 0.12 -4.64 120.51 117.69 1it7 n ALA 574 Ca -0.04 -0.93 -0.15 0.00 0.00 0.00 0.00 53.44 52.32 1it7 n ALA 574 Cb 0.49 -0.40 -0.15 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.54 0.21 -0.51 0.00 1.01 -0.84 -1.00 120.40 116.73 1it7 s VAL 575 Ca -0.23 -0.06 -0.16 0.00 0.00 0.00 0.00 61.98 61.53 1it7 s VAL 575 Cb 0.08 -0.22 0.09 0.00 0.00 0.00 0.00 36.38 36.33 1it7 s VAL 575 CO 0.72 0.09 0.47 -0.75 0.00 0.00 0.00 175.10 175.63 1it7 s LYS 576 N 0.25 3.00 0.17 2.72 2.20 0.72 -1.61 119.74 127.19 1it7 s LYS 576 Ca -0.02 -1.44 -0.30 0.00 -0.36 0.00 0.00 55.97 53.85 1it7 s LYS 576 Cb -0.05 -4.20 -0.08 0.00 -1.51 0.00 0.00 37.83 32.00 1it7 s LYS 576 CO -0.01 -1.18 1.26 0.08 -0.36 0.00 0.00 175.35 175.15 1it7 s VAL 577 N 1.78 3.45 -0.17 4.02 1.01 -1.26 -0.33 120.40 128.89 1it7 s VAL 577 Ca 0.05 1.17 -0.16 0.00 0.00 0.00 0.00 61.98 63.04 1it7 s VAL 577 Cb -0.26 -3.75 -0.22 0.00 0.00 0.00 0.00 36.38 32.15 1it7 s VAL 577 CO 0.06 0.16 0.29 0.03 0.00 0.00 0.00 175.10 175.64 1it7 h ARG 578 N 5.66 0.11 -2.31 2.72 3.08 -0.94 -3.47 114.38 119.23 1it7 h ARG 578 Ca -0.44 -0.19 -0.08 0.00 0.07 0.00 0.00 59.98 59.34 1it7 h ARG 578 Cb 1.21 0.07 -0.19 0.00 0.08 0.00 0.00 29.97 31.14 1it7 h ARG 578 CO 0.78 1.09 0.05 0.21 -1.07 0.00 0.00 179.97 181.03 1it7 s LYS 579 N -2.44 0.94 0.44 0.04 2.47 -1.06 -5.04 119.74 115.09 1it7 s LYS 579 Ca -0.26 0.14 0.07 0.00 -1.56 0.00 0.00 55.97 54.37 1it7 s LYS 579 Cb 0.06 0.44 -0.01 0.00 -1.46 0.00 0.00 37.83 36.86 1it7 s LYS 579 CO 0.67 -0.28 0.39 0.20 0.16 0.00 0.00 175.35 176.48 1it7 s GLY 580 N -1.19 2.17 0.47 5.54 0.00 -1.26 -1.41 107.32 111.64 1it7 s GLY 580 Ca -0.11 -1.83 0.27 0.00 0.00 0.00 0.00 44.72 43.04 1it7 s GLY 580 CO 0.08 -1.75 1.84 -2.08 0.00 0.00 0.00 173.10 171.19 1it7 h VAL 581 N 0.98 0.31 -0.01 1.40 2.07 -0.61 -3.47 116.25 116.91 1it7 h VAL 581 Ca -0.40 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.17 1it7 h VAL 581 Cb 1.27 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 1it7 h VAL 581 CO 0.57 0.13 0.00 -0.62 0.02 0.00 0.00 177.57 177.68