#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iq8 h MET 7 N 0.00 0.00 -5.18 1.97 2.86 -2.00 -3.44 114.93 109.14 1iq8 h MET 7 Ca 0.00 0.00 -0.67 0.00 -2.06 0.00 0.00 59.70 56.97 1iq8 h MET 7 Cb 0.00 0.00 -0.32 0.00 0.06 0.00 0.00 31.60 31.34 1iq8 h MET 7 CO 0.00 0.02 -0.83 -1.17 1.06 0.00 0.00 176.91 176.00 1iq8 s LEU 8 N -6.22 2.34 0.04 1.22 1.98 -1.26 -1.10 118.68 115.68 1iq8 s LEU 8 Ca 0.07 -0.53 0.08 0.00 -2.89 0.00 0.00 54.13 50.86 1iq8 s LEU 8 Cb 0.05 -1.52 -0.03 0.00 0.66 0.00 0.00 46.19 45.35 1iq8 s LEU 8 CO 0.67 0.07 -0.22 -0.54 -1.89 0.00 0.00 176.35 174.44 1iq8 s LYS 9 N 0.87 1.96 -0.13 1.98 1.02 -0.13 -4.98 119.74 120.33 1iq8 s LYS 9 Ca -0.05 -1.03 -0.06 0.00 0.02 0.00 0.00 55.97 54.85 1iq8 s LYS 9 Cb -0.15 -2.10 0.05 0.00 -0.52 0.00 0.00 37.83 35.12 1iq8 s LYS 9 CO -0.02 0.53 0.30 0.12 -0.92 0.00 0.00 175.35 175.37 1iq8 s PHE 10 N -0.85 -0.44 0.02 3.18 5.36 -1.26 -1.13 117.98 122.86 1iq8 s PHE 10 Ca 0.13 0.99 -0.03 0.00 -0.96 0.00 0.00 56.93 57.06 1iq8 s PHE 10 Cb -0.10 0.11 -0.01 0.00 -0.34 0.00 0.00 43.02 42.67 1iq8 s PHE 10 CO 0.03 -0.29 0.03 -1.83 -1.46 0.00 0.00 175.22 171.71 1iq8 s GLU 11 N 1.52 0.42 0.01 10.12 -1.05 -0.94 -4.63 118.70 124.14 1iq8 s GLU 11 Ca -0.08 -0.61 -0.23 0.00 -0.15 0.00 0.00 54.97 53.90 1iq8 s GLU 11 Cb -0.10 0.16 -0.05 0.00 -0.44 0.00 0.00 34.13 33.70 1iq8 s GLU 11 CO -0.10 -0.09 0.68 0.42 0.95 0.00 0.00 175.26 177.12 1iq8 s ILE 12 N -1.76 4.86 -0.12 1.83 1.01 -1.26 -0.99 121.20 124.76 1iq8 s ILE 12 Ca -0.13 1.42 0.11 0.00 0.00 0.00 0.00 60.65 62.05 1iq8 s ILE 12 Cb -0.07 -4.02 -0.15 0.00 0.01 0.00 0.00 42.46 38.24 1iq8 s ILE 12 CO -0.01 0.37 0.04 0.29 0.00 0.00 0.00 174.94 175.63 1iq8 n LYS 13 N 2.91 2.03 -3.58 2.79 5.02 0.71 -4.82 118.16 123.23 1iq8 n LYS 13 Ca -0.04 -0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.14 1iq8 n LYS 13 Cb 0.51 -1.31 -0.02 0.00 -0.02 0.00 0.00 35.03 34.19 1iq8 n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iq8 s ALA 14 N -2.29 -1.48 0.07 7.82 0.00 -1.06 -4.98 121.76 119.84 1iq8 s ALA 14 Ca -0.06 0.23 -0.26 0.00 0.00 0.00 0.00 51.96 51.87 1iq8 s ALA 14 Cb 0.04 0.85 0.09 0.00 0.00 0.00 0.00 23.12 24.09 1iq8 s ALA 14 CO 0.49 -0.87 0.76 -0.98 0.00 0.00 0.00 175.76 175.16 1iq8 s ARG 15 N -3.76 1.03 -0.26 0.00 1.70 -1.26 -0.65 118.95 115.74 1iq8 s ARG 15 Ca 0.05 -0.38 -0.25 0.00 -0.47 0.00 0.00 55.73 54.68 1iq8 s ARG 15 Cb -0.03 0.47 0.08 0.00 -0.57 0.00 0.00 34.95 34.91 1iq8 s ARG 15 CO -0.06 -0.45 0.81 0.34 -1.08 0.00 0.00 175.30 174.86 1iq8 s ASP 16 N -2.60 -0.66 0.90 -2.89 2.15 -1.20 -4.89 116.67 107.48 1iq8 s ASP 16 Ca 0.03 1.25 0.00 0.00 0.43 0.00 0.00 52.55 54.27 1iq8 s ASP 16 Cb -0.01 1.26 0.00 0.00 -0.30 0.00 0.00 42.92 43.87 1iq8 s ASP 16 CO -0.11 -0.24 0.00 0.61 -0.17 0.00 0.00 175.17 175.27 1iq8 n GLY 17 N 2.47 2.56 1.15 2.66 0.00 -1.26 -1.62 105.19 111.15 1iq8 n GLY 17 Ca -0.14 -0.44 0.11 0.00 0.00 0.00 0.00 46.02 45.55 1iq8 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iq8 n ALA 18 N 8.49 2.39 -1.97 4.61 0.00 -0.68 -3.83 120.51 129.52 1iq8 n ALA 18 Ca 0.00 -1.08 -0.24 0.00 0.00 0.00 0.00 53.44 52.12 1iq8 n ALA 18 Cb 0.00 -0.83 0.10 0.00 0.00 0.00 0.00 19.45 18.71 1iq8 n ALA 18 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1iq8 s GLY 19 N -1.29 1.76 -0.00 0.00 0.00 -0.64 -3.07 107.32 104.07 1iq8 s GLY 19 Ca 0.39 -1.42 -0.28 0.00 0.00 0.00 0.00 44.72 43.41 1iq8 s GLY 19 CO 0.30 -0.91 0.78 1.09 0.00 0.00 0.00 173.10 174.36 1iq8 s ARG 20 N -5.19 0.96 -0.25 2.90 1.70 -1.26 -3.22 118.95 114.58 1iq8 s ARG 20 Ca 0.64 -0.11 -0.09 0.00 -0.47 0.00 0.00 55.73 55.69 1iq8 s ARG 20 Cb -0.07 0.44 -0.04 0.00 -0.57 0.00 0.00 34.95 34.71 1iq8 s ARG 20 CO 0.44 -0.37 0.13 0.42 -1.08 0.00 0.00 175.30 174.85 1iq8 s ILE 21 N -2.40 4.98 0.28 4.99 1.01 0.18 -3.91 121.20 126.32 1iq8 s ILE 21 Ca -0.01 0.05 0.07 0.00 0.00 0.00 0.00 60.65 60.75 1iq8 s ILE 21 Cb -0.01 -3.33 -0.06 0.00 0.01 0.00 0.00 42.46 39.07 1iq8 s ILE 21 CO -0.03 0.32 -0.06 -0.83 0.00 0.00 0.00 174.94 174.34 1iq8 s GLY 22 N 1.41 1.83 -0.28 6.18 0.00 0.53 -0.21 107.32 116.78 1iq8 s GLY 22 Ca 0.06 -1.90 -0.06 0.00 0.00 0.00 0.00 44.72 42.83 1iq8 s GLY 22 CO 0.06 -1.84 0.04 1.25 0.00 0.00 0.00 173.10 172.61 1iq8 s LYS 23 N -3.72 3.06 -0.14 2.90 2.20 -0.16 -0.16 119.74 123.71 1iq8 s LYS 23 Ca 0.29 -0.87 -0.02 0.00 -0.36 0.00 0.00 55.97 55.01 1iq8 s LYS 23 Cb 0.03 -3.27 -0.02 0.00 -1.51 0.00 0.00 37.83 33.06 1iq8 s LYS 23 CO 0.12 -0.42 -0.08 -1.17 -0.36 0.00 0.00 175.35 173.44 1iq8 s LEU 24 N 1.46 3.03 -0.11 5.43 0.20 -0.09 -2.22 118.68 126.38 1iq8 s LEU 24 Ca 0.02 -0.21 0.01 0.00 0.69 0.00 0.00 54.13 54.65 1iq8 s LEU 24 Cb -0.17 -1.71 0.02 0.00 -0.43 0.00 0.00 46.19 43.90 1iq8 s LEU 24 CO 0.01 0.17 -0.13 -0.70 -0.29 0.00 0.00 176.35 175.40 1iq8 s GLU 25 N 0.35 2.02 -0.29 1.98 2.12 -0.28 -0.90 118.70 123.69 1iq8 s GLU 25 Ca -0.07 -0.48 0.03 0.00 0.36 0.00 0.00 54.97 54.81 1iq8 s GLU 25 Cb -0.15 -1.79 0.08 0.00 0.26 0.00 0.00 34.13 32.53 1iq8 s GLU 25 CO 0.04 -0.11 -0.02 0.08 -0.54 0.00 0.00 175.26 174.71 1iq8 s VAL 26 N 1.14 2.04 -1.23 3.70 1.01 0.16 -0.96 120.40 126.26 1iq8 s VAL 26 Ca -0.04 -1.85 -0.26 0.00 0.00 0.00 0.00 61.98 59.82 1iq8 s VAL 26 Cb -0.14 -2.34 0.03 0.00 0.00 0.00 0.00 36.38 33.93 1iq8 s VAL 26 CO -0.03 -0.31 0.64 0.59 0.00 0.00 0.00 175.10 175.99 1iq8 n ASN 27 N 4.42 -3.80 0.00 3.32 3.02 -0.26 -1.41 115.26 120.55 1iq8 n ASN 27 Ca -0.06 -1.21 0.00 0.00 -0.03 0.00 0.00 54.58 53.28 1iq8 n ASN 27 Cb 0.42 -2.19 0.00 0.00 -0.61 0.00 0.00 39.78 37.40 1iq8 n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iq8 n GLY 28 N -2.02 3.09 3.62 7.41 0.00 -1.26 -5.01 105.19 111.01 1iq8 n GLY 28 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 1iq8 n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iq8 s LYS 29 N -0.35 4.06 -0.11 1.61 1.02 -0.50 -5.06 119.74 120.40 1iq8 s LYS 29 Ca 0.00 0.16 -0.01 0.00 0.02 0.00 0.00 55.97 56.13 1iq8 s LYS 29 Cb 0.00 -3.64 -0.03 0.00 -0.52 0.00 0.00 37.83 33.65 1iq8 s LYS 29 CO 0.00 -0.27 -0.05 0.15 -0.92 0.00 0.00 175.35 174.26 1iq8 s LYS 30 N 2.03 3.19 0.06 1.68 1.02 -1.26 -0.67 119.74 125.79 1iq8 s LYS 30 Ca 0.18 -0.53 -0.00 0.00 0.02 0.00 0.00 55.97 55.63 1iq8 s LYS 30 Cb -0.16 -2.74 -0.04 0.00 -0.52 0.00 0.00 37.83 34.37 1iq8 s LYS 30 CO 0.09 0.46 -0.04 0.42 -0.92 0.00 0.00 175.35 175.37 1iq8 s ILE 31 N -0.26 0.32 -0.16 2.17 1.01 -0.08 -5.01 121.20 119.20 1iq8 s ILE 31 Ca 0.04 -1.76 -0.05 0.00 0.00 0.00 0.00 60.65 58.88 1iq8 s ILE 31 Cb -0.13 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 1iq8 s ILE 31 CO 0.02 -0.93 0.01 -0.70 0.00 0.00 0.00 174.94 173.35 1iq8 s GLU 32 N -3.69 3.72 0.25 2.79 2.12 -1.26 -0.92 118.70 121.72 1iq8 s GLU 32 Ca 0.06 -0.43 0.07 0.00 0.36 0.00 0.00 54.97 55.04 1iq8 s GLU 32 Cb 0.06 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.38 1iq8 s GLU 32 CO -0.08 0.31 0.17 0.95 -0.54 0.00 0.00 175.26 176.07 1iq8 s THR 33 N 0.20 4.31 0.35 -1.70 -4.23 0.77 -4.26 115.64 111.08 1iq8 s THR 33 Ca 0.01 -1.47 -0.29 0.00 -1.18 0.00 0.00 61.69 58.76 1iq8 s THR 33 Cb -0.13 -3.32 -0.11 0.00 1.34 0.00 0.00 72.50 70.27 1iq8 s THR 33 CO 0.02 -0.35 1.54 -2.65 -0.54 0.00 0.00 174.62 172.64 1iq8 n PRO 34 N -1.12 2.70 -4.13 3.99 -0.02 -1.25 -0.35 135.00 134.83 1iq8 n PRO 34 Ca -0.08 0.95 -0.09 0.00 -2.02 0.00 0.00 63.50 62.27 1iq8 n PRO 34 Cb 0.58 -2.71 -0.10 0.00 -0.02 0.00 0.00 33.50 31.25 1iq8 n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iq8 s ALA 35 N -0.68 0.75 -0.03 3.55 0.00 -0.62 -5.01 121.76 119.73 1iq8 s ALA 35 Ca 0.57 -1.28 0.05 0.00 0.00 0.00 0.00 51.96 51.31 1iq8 s ALA 35 Cb -0.48 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 1iq8 s ALA 35 CO 0.58 -0.30 -0.18 -1.50 0.00 0.00 0.00 175.76 174.36 1iq8 s ILE 36 N -3.75 1.45 -0.27 0.00 2.07 -1.26 -1.71 121.20 117.73 1iq8 s ILE 36 Ca 0.09 -0.76 -0.06 0.00 -1.41 0.00 0.00 60.65 58.52 1iq8 s ILE 36 Cb 0.07 -1.22 -0.00 0.00 0.13 0.00 0.00 42.46 41.43 1iq8 s ILE 36 CO -0.07 0.41 0.04 0.00 -1.91 0.00 0.00 174.94 173.42 1iq8 s MET 37 N -0.22 3.24 0.29 3.50 0.23 0.11 -4.80 119.30 121.66 1iq8 s MET 37 Ca 0.02 -0.74 -0.29 0.00 -1.03 0.00 0.00 55.69 53.64 1iq8 s MET 37 Cb -0.09 -3.27 -0.10 0.00 -1.53 0.00 0.00 34.83 29.84 1iq8 s MET 37 CO 0.01 -0.34 1.40 -2.14 -2.03 0.00 0.00 175.02 171.92 1iq8 s PRO 38 N 1.51 4.28 0.06 3.16 0.02 -1.25 -1.62 135.00 141.16 1iq8 s PRO 38 Ca 0.04 2.31 -0.24 0.00 0.02 0.00 0.00 61.00 63.13 1iq8 s PRO 38 Cb -0.16 -3.08 -0.06 0.00 0.02 0.00 0.00 34.50 31.22 1iq8 s PRO 38 CO 0.01 -0.36 0.73 0.08 -0.33 0.00 0.00 177.00 177.13 1iq8 s VAL 39 N -0.50 4.70 -0.09 3.83 1.01 0.72 -1.81 120.40 128.25 1iq8 s VAL 39 Ca 0.55 1.56 0.04 0.00 0.00 0.00 0.00 61.98 64.14 1iq8 s VAL 39 Cb -0.42 -4.08 -0.00 0.00 0.00 0.00 0.00 36.38 31.88 1iq8 s VAL 39 CO 0.49 0.41 -0.24 0.68 0.00 0.00 0.00 175.10 176.44 1iq8 s VAL 40 N -0.31 2.05 -0.44 2.92 -7.23 0.42 -4.79 120.40 113.03 1iq8 s VAL 40 Ca 0.36 -1.02 -0.22 0.00 -1.81 0.00 0.00 61.98 59.29 1iq8 s VAL 40 Cb -0.21 -1.77 0.02 0.00 0.56 0.00 0.00 36.38 34.99 1iq8 s VAL 40 CO 0.22 0.56 0.72 0.21 -0.31 0.00 0.00 175.10 176.50 1iq8 s ASN 41 N 0.26 6.38 0.44 4.85 3.04 -1.26 -4.44 114.94 124.20 1iq8 s ASN 41 Ca -0.17 -0.18 0.12 0.00 0.04 0.00 0.00 52.86 52.67 1iq8 s ASN 41 Cb -0.17 -2.35 1.02 0.00 -1.54 0.00 0.00 41.25 38.20 1iq8 s ASN 41 CO 0.08 -0.84 2.03 -0.65 -3.04 0.00 0.00 177.10 174.68 1iq8 h PRO 42 N 8.89 0.38 -0.14 0.43 0.11 -1.97 -2.41 132.00 137.29 1iq8 h PRO 42 Ca -0.25 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.68 1iq8 h PRO 42 Cb 1.09 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1iq8 h PRO 42 CO 0.92 0.25 -0.58 0.87 -0.21 0.00 0.00 178.00 179.26 1iq8 h LYS 43 N 0.39 0.45 -1.90 1.05 1.57 -1.98 -3.42 116.57 112.74 1iq8 h LYS 43 Ca 0.20 -0.30 -0.29 0.00 -1.87 0.00 0.00 60.65 58.39 1iq8 h LYS 43 Cb 0.29 0.04 -0.30 0.00 0.08 0.00 0.00 32.23 32.34 1iq8 h LYS 43 CO -0.05 0.90 -0.62 -1.14 -0.57 0.00 0.00 179.45 177.97 1iq8 s GLN 44 N -3.91 0.49 -0.48 3.15 0.74 -0.92 -5.12 119.66 113.62 1iq8 s GLN 44 Ca -0.06 -0.34 -0.22 0.00 0.05 0.00 0.00 55.36 54.78 1iq8 s GLN 44 Cb 0.11 -0.55 0.03 0.00 1.10 0.00 0.00 33.01 33.71 1iq8 s GLN 44 CO 0.83 -1.10 0.74 -1.64 -0.55 0.00 0.00 175.29 173.57 1iq8 s MET 45 N 2.04 3.30 0.14 1.67 -1.94 -1.15 -4.46 119.30 118.89 1iq8 s MET 45 Ca 0.13 -0.37 -0.16 0.00 -1.71 0.00 0.00 55.69 53.58 1iq8 s MET 45 Cb -0.14 -4.00 0.01 0.00 2.01 0.00 0.00 34.83 32.72 1iq8 s MET 45 CO -0.20 -1.18 1.73 0.28 -0.01 0.00 0.00 175.02 175.64 1iq8 h VAL 46 N 5.94 1.17 -3.29 -6.03 2.07 -1.97 -3.40 116.25 110.73 1iq8 h VAL 46 Ca -0.26 -0.48 -0.61 0.00 0.82 0.00 0.00 66.70 66.17 1iq8 h VAL 46 Cb 1.09 0.72 -0.34 0.00 -1.52 0.00 0.00 31.29 31.23 1iq8 h VAL 46 CO 0.97 0.19 -0.85 -0.69 0.02 0.00 0.00 177.57 177.20 1iq8 s VAL 47 N -5.74 1.68 0.34 2.57 1.01 -1.26 -4.89 120.40 114.11 1iq8 s VAL 47 Ca -0.13 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 1iq8 s VAL 47 Cb 0.11 -1.50 -0.11 0.00 0.00 0.00 0.00 36.38 34.87 1iq8 s VAL 47 CO 0.75 0.48 1.51 -1.61 0.00 0.00 0.00 175.10 176.22 1iq8 s GLU 48 N 0.78 4.13 0.40 2.72 0.41 -1.26 -4.82 118.70 121.06 1iq8 s GLU 48 Ca -0.10 2.54 0.13 0.00 -0.41 0.00 0.00 54.97 57.13 1iq8 s GLU 48 Cb -0.16 -3.00 0.95 0.00 -1.78 0.00 0.00 34.13 30.15 1iq8 s GLU 48 CO 0.01 -0.54 1.89 -1.35 -0.49 0.00 0.00 175.26 174.79 1iq8 h PRO 49 N 3.64 0.52 -0.92 0.39 0.11 -1.89 0.21 132.00 134.06 1iq8 h PRO 49 Ca -0.49 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.59 1iq8 h PRO 49 Cb 1.23 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 1iq8 h PRO 49 CO 0.69 0.34 0.61 0.87 -0.21 0.00 0.00 178.00 180.30 1iq8 h LYS 50 N 0.53 1.22 -0.09 1.05 1.57 -1.77 0.10 116.57 119.19 1iq8 h LYS 50 Ca 0.41 -0.08 -0.18 0.00 -1.87 0.00 0.00 60.65 58.94 1iq8 h LYS 50 Cb 0.82 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1iq8 h LYS 50 CO -0.16 0.81 -0.71 1.49 -0.57 0.00 0.00 179.45 180.32 1iq8 h GLU 51 N 1.25 0.40 -0.57 3.15 4.81 -1.02 -1.51 114.58 121.10 1iq8 h GLU 51 Ca 0.34 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1iq8 h GLU 51 Cb -0.14 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1iq8 h GLU 51 CO -0.07 0.95 0.31 -0.07 -0.73 0.00 0.00 179.01 179.40 1iq8 h LEU 52 N 0.28 0.71 -0.81 1.64 3.38 -0.30 0.55 115.31 120.75 1iq8 h LEU 52 Ca -0.03 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1iq8 h LEU 52 Cb 1.27 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 1iq8 h LEU 52 CO 0.12 0.60 0.30 -0.08 0.09 0.00 0.00 178.44 179.46 1iq8 h GLU 53 N 0.76 1.17 -0.28 1.13 4.81 -0.68 -1.27 114.58 120.23 1iq8 h GLU 53 Ca 0.20 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1iq8 h GLU 53 Cb 0.04 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1iq8 h GLU 53 CO -0.03 0.96 0.00 0.87 -0.73 0.00 0.00 179.01 180.08 1iq8 h LYS 54 N 1.14 0.43 0.00 1.92 1.57 -0.55 -1.44 116.57 119.64 1iq8 h LYS 54 Ca 0.26 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1iq8 h LYS 54 Cb 0.24 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1iq8 h LYS 54 CO -0.02 0.46 0.00 -1.33 -0.57 0.00 0.00 179.45 177.99 1iq8 n MET 55 N -4.32 0.21 0.00 3.15 2.81 0.12 -4.88 117.12 114.21 1iq8 n MET 55 Ca 0.01 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 1iq8 n MET 55 Cb 0.22 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 1iq8 n MET 55 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1iq8 n GLY 56 N 0.81 0.77 3.50 3.03 0.00 -0.54 -5.05 105.19 107.70 1iq8 n GLY 56 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1iq8 n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1iq8 s PHE 57 N -2.00 2.55 -2.07 1.61 0.40 -0.55 -4.85 117.98 113.06 1iq8 s PHE 57 Ca 0.00 -0.31 0.13 0.00 -0.60 0.00 0.00 56.93 56.15 1iq8 s PHE 57 Cb 0.00 -4.40 0.43 0.00 0.51 0.00 0.00 43.02 39.57 1iq8 s PHE 57 CO 0.00 -1.77 1.33 0.39 0.70 0.00 0.00 175.22 175.87 1iq8 n GLU 58 N 8.28 1.70 -3.71 0.44 -0.58 -1.26 -4.01 120.64 121.50 1iq8 n GLU 58 Ca -0.01 -1.08 -0.11 0.00 -0.42 0.00 0.00 57.16 55.54 1iq8 n GLU 58 Cb 0.47 -1.29 -0.11 0.00 -0.57 0.00 0.00 31.44 29.94 1iq8 n GLU 58 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 1iq8 s ILE 59 N -1.65 -0.03 0.35 -3.67 2.07 -1.26 -0.71 121.20 116.30 1iq8 s ILE 59 Ca 0.24 0.10 0.04 0.00 -1.41 0.00 0.00 60.65 59.62 1iq8 s ILE 59 Cb 0.13 -0.52 -0.04 0.00 0.13 0.00 0.00 42.46 42.16 1iq8 s ILE 59 CO 0.18 0.04 0.13 0.27 -1.91 0.00 0.00 174.94 173.65 1iq8 s ILE 60 N 1.19 0.57 -0.03 2.00 -4.36 -0.59 -3.84 121.20 116.13 1iq8 s ILE 60 Ca -0.08 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.25 1iq8 s ILE 60 Cb -0.08 -2.48 0.01 0.00 1.25 0.00 0.00 42.46 41.15 1iq8 s ILE 60 CO -0.10 0.00 0.14 -0.51 0.24 0.00 0.00 174.94 174.71 1iq8 s ILE 61 N -3.38 0.04 0.16 8.37 2.07 -0.75 -1.04 121.20 126.67 1iq8 s ILE 61 Ca 0.31 -0.32 -0.01 0.00 -1.41 0.00 0.00 60.65 59.21 1iq8 s ILE 61 Cb 0.04 -0.31 -0.04 0.00 0.13 0.00 0.00 42.46 42.28 1iq8 s ILE 61 CO 0.16 -0.18 0.09 -0.89 -1.91 0.00 0.00 174.94 172.22 1iq8 s THR 62 N -0.58 0.06 -0.44 4.00 2.01 -1.00 -0.44 115.64 119.26 1iq8 s THR 62 Ca -0.07 -1.92 -0.19 0.00 0.31 0.00 0.00 61.69 59.82 1iq8 s THR 62 Cb -0.04 -2.20 0.03 0.00 0.01 0.00 0.00 72.50 70.30 1iq8 s THR 62 CO 0.01 -0.29 0.56 0.21 -0.69 0.00 0.00 174.62 174.42 1iq8 s ASN 63 N -3.08 6.26 0.51 3.53 3.84 -1.26 0.40 114.94 125.13 1iq8 s ASN 63 Ca 0.29 -0.54 0.25 0.00 0.21 0.00 0.00 52.86 53.06 1iq8 s ASN 63 Cb 0.07 -2.28 1.35 0.00 -0.55 0.00 0.00 41.25 39.84 1iq8 s ASN 63 CO 0.05 -0.72 2.05 0.77 -2.79 0.00 0.00 177.10 176.47 1iq8 h SER 64 N 8.84 0.00 -0.19 -4.21 4.64 -1.19 -2.71 113.55 118.73 1iq8 h SER 64 Ca -0.26 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.91 1iq8 h SER 64 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1iq8 h SER 64 CO 0.86 0.14 -0.48 0.22 -0.87 0.00 0.00 176.83 176.70 1iq8 h TYR 65 N 0.00 0.85 -0.77 4.77 3.20 -1.85 -0.86 116.97 122.30 1iq8 h TYR 65 Ca -0.00 -0.33 -0.01 0.00 3.14 0.00 0.00 58.73 61.54 1iq8 h TYR 65 Cb 0.33 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.42 1iq8 h TYR 65 CO 0.00 1.11 0.46 0.82 -1.64 0.00 0.00 178.16 178.90 1iq8 h ILE 66 N 0.35 1.22 -0.28 1.81 2.04 -1.85 0.26 117.51 121.06 1iq8 h ILE 66 Ca -0.01 -0.51 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 1iq8 h ILE 66 Cb 1.09 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1iq8 h ILE 66 CO 0.10 0.24 -0.01 0.40 0.00 0.00 0.00 178.15 178.88 1iq8 h ILE 67 N 1.06 1.26 -0.34 -0.67 2.04 -1.48 -2.63 117.51 116.76 1iq8 h ILE 67 Ca 0.28 -0.96 0.01 0.00 1.00 0.00 0.00 64.86 65.18 1iq8 h ILE 67 Cb -0.02 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1iq8 h ILE 67 CO -0.05 0.31 0.22 0.22 0.00 0.00 0.00 178.15 178.84 1iq8 h TYR 68 N 0.29 0.41 0.00 1.37 3.20 -0.82 -1.58 116.97 119.84 1iq8 h TYR 68 Ca 0.08 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1iq8 h TYR 68 Cb 0.45 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.58 1iq8 h TYR 68 CO 0.04 0.26 0.00 1.63 -1.64 0.00 0.00 178.16 178.45 1iq8 n LYS 69 N -4.86 0.02 -3.82 1.82 4.76 0.05 -4.66 118.16 111.47 1iq8 n LYS 69 Ca -0.01 0.14 -0.36 0.00 -2.87 0.00 0.00 58.31 55.21 1iq8 n LYS 69 Cb 0.03 -1.50 -0.12 0.00 -1.84 0.00 0.00 35.03 31.60 1iq8 n LYS 69 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1iq8 s ASP 70 N -2.97 5.23 0.10 4.39 -1.08 -0.98 -5.02 116.67 116.34 1iq8 s ASP 70 Ca 0.11 -0.15 -0.34 0.00 -0.52 0.00 0.00 52.55 51.64 1iq8 s ASP 70 Cb 0.14 -1.93 -0.14 0.00 -1.46 0.00 0.00 42.92 39.52 1iq8 s ASP 70 CO 0.37 0.00 1.56 -0.33 0.52 0.00 0.00 175.17 177.30 1iq8 h GLU 71 N 7.95 -0.76 -0.16 4.34 5.08 -1.83 0.59 114.58 129.80 1iq8 h GLU 71 Ca -0.37 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.07 1iq8 h GLU 71 Cb 1.18 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.56 1iq8 h GLU 71 CO 0.59 -0.50 -0.08 0.93 -1.00 0.00 0.00 179.01 178.95 1iq8 h GLU 72 N -0.78 -0.06 0.34 2.33 4.39 -1.95 0.59 114.58 119.43 1iq8 h GLU 72 Ca -0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1iq8 h GLU 72 Cb 0.77 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1iq8 h GLU 72 CO -0.24 -0.04 -0.16 -0.07 -1.16 0.00 0.00 179.01 177.33 1iq8 h LEU 73 N -0.07 -0.39 -0.54 1.33 3.38 -1.77 -1.22 115.31 116.04 1iq8 h LEU 73 Ca 0.09 -0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.14 1iq8 h LEU 73 Cb 0.20 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.96 1iq8 h LEU 73 CO -0.20 -0.22 0.03 -0.09 0.09 0.00 0.00 178.44 178.05 1iq8 h ARG 74 N -0.52 0.15 -0.20 1.13 2.43 0.12 0.95 114.38 118.43 1iq8 h ARG 74 Ca -0.05 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1iq8 h ARG 74 Cb 0.39 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1iq8 h ARG 74 CO 0.08 0.10 0.07 -0.09 -1.51 0.00 0.00 179.97 178.62 1iq8 h ARG 75 N 0.15 0.29 -0.69 0.20 2.43 -0.78 -1.80 114.38 114.18 1iq8 h ARG 75 Ca 0.28 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.34 1iq8 h ARG 75 Cb 0.42 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 1iq8 h ARG 75 CO -0.43 0.37 0.22 0.87 -1.51 0.00 0.00 179.97 179.49 1iq8 h LYS 76 N 0.16 1.05 -0.59 0.20 1.57 -0.64 -0.63 116.57 117.69 1iq8 h LYS 76 Ca 0.06 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1iq8 h LYS 76 Cb 0.19 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1iq8 h LYS 76 CO -0.00 0.89 0.36 0.00 -0.57 0.00 0.00 179.45 180.12 1iq8 h ALA 77 N 1.23 0.75 -0.14 3.86 0.00 -0.65 0.14 119.26 124.45 1iq8 h ALA 77 Ca 0.23 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1iq8 h ALA 77 Cb 0.27 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1iq8 h ALA 77 CO -0.01 0.22 -0.52 -0.07 0.00 0.00 0.00 179.25 178.87 1iq8 h LEU 78 N 0.79 0.43 -0.17 0.00 3.38 -1.07 0.28 115.31 118.95 1iq8 h LEU 78 Ca 0.21 -0.22 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 1iq8 h LEU 78 Cb -0.02 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.62 1iq8 h LEU 78 CO -0.04 0.87 -0.75 -0.08 0.09 0.00 0.00 178.44 178.53 1iq8 h GLU 79 N 0.30 0.81 0.00 1.13 4.57 -0.63 -3.39 114.58 117.37 1iq8 h GLU 79 Ca 0.01 -0.64 0.00 0.00 -1.18 0.00 0.00 59.36 57.55 1iq8 h GLU 79 Cb 1.02 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 1iq8 h GLU 79 CO 0.09 1.25 -0.81 1.28 -1.18 0.00 0.00 179.01 179.64 1iq8 n LEU 80 N -3.95 0.07 0.00 1.64 4.77 -0.01 -5.09 117.00 114.44 1iq8 n LEU 80 Ca -0.07 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 1iq8 n LEU 80 Cb 0.73 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 1iq8 n LEU 80 CO 0.53 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1iq8 n GLY 81 N 1.82 0.13 0.30 -0.72 0.00 0.98 -4.22 105.19 103.47 1iq8 n GLY 81 Ca -0.00 -1.57 0.06 0.00 0.00 0.00 0.00 46.02 44.51 1iq8 n GLY 81 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1iq8 h ILE 82 N 0.00 1.05 0.61 -0.61 -0.00 -1.06 -1.95 117.51 115.56 1iq8 h ILE 82 Ca 0.00 -0.12 -0.03 0.00 -0.00 0.00 0.00 64.86 64.71 1iq8 h ILE 82 Cb 0.00 0.67 0.01 0.00 -0.00 0.00 0.00 36.82 37.50 1iq8 h ILE 82 CO 0.00 0.06 -0.29 0.45 -0.00 0.00 0.00 178.15 178.37 1iq8 h HIS 83 N 0.35 -0.76 -0.16 0.16 3.86 -1.82 -0.71 115.15 116.07 1iq8 h HIS 83 Ca 0.11 -0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.22 1iq8 h HIS 83 Cb 0.00 0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 1iq8 h HIS 83 CO -0.00 -0.45 -0.27 0.00 0.86 0.00 0.00 177.93 178.07 1iq8 h ARG 84 N -0.89 0.29 -0.51 2.45 2.47 -1.71 0.57 114.38 117.04 1iq8 h ARG 84 Ca -0.08 -0.10 -0.04 0.00 -1.26 0.00 0.00 59.98 58.50 1iq8 h ARG 84 Cb 0.66 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.93 1iq8 h ARG 84 CO 0.14 0.54 0.18 1.98 0.56 0.00 0.00 179.97 183.37 1iq8 h MET 85 N 0.26 0.79 -0.00 0.04 4.05 -1.24 -2.71 114.93 116.11 1iq8 h MET 85 Ca 0.04 -0.16 0.00 0.00 -0.28 0.00 0.00 59.70 59.30 1iq8 h MET 85 Cb 0.62 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 1iq8 h MET 85 CO 0.04 0.72 -0.45 1.28 0.23 0.00 0.00 176.91 178.73 1iq8 n LEU 86 N -4.51 0.85 -3.57 3.39 4.77 -0.28 -4.96 117.00 112.69 1iq8 n LEU 86 Ca 0.02 -0.20 -0.23 0.00 -0.03 0.00 0.00 56.01 55.57 1iq8 n LEU 86 Cb 0.18 -0.16 0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1iq8 n LEU 86 CO 0.39 0.18 -0.04 -0.67 -1.33 0.00 0.00 177.39 175.92 1iq8 n ASP 87 N -1.07 -3.88 -3.88 -1.43 2.03 0.19 -4.40 116.55 104.10 1iq8 n ASP 87 Ca 0.08 -0.85 -0.16 0.00 0.52 0.00 0.00 54.79 54.39 1iq8 n ASP 87 Cb 0.35 -4.17 -0.15 0.00 -0.72 0.00 0.00 41.12 36.42 1iq8 n ASP 87 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1iq8 s TYR 88 N -3.52 0.32 -1.40 -0.67 5.04 -0.44 -3.95 117.35 112.73 1iq8 s TYR 88 Ca 0.27 -0.04 0.12 0.00 -2.44 0.00 0.00 57.07 54.98 1iq8 s TYR 88 Cb -0.07 -0.30 0.18 0.00 0.35 0.00 0.00 41.96 42.12 1iq8 s TYR 88 CO 0.81 -0.06 1.03 0.09 -1.34 0.00 0.00 175.55 176.07 1iq8 n ASN 89 N 3.52 2.39 -2.37 4.32 3.02 -1.26 -4.62 115.26 120.26 1iq8 n ASN 89 Ca -0.19 -1.69 0.00 0.00 -0.03 0.00 0.00 54.58 52.67 1iq8 n ASN 89 Cb 0.55 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 1iq8 n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iq8 n GLY 90 N 0.69 0.08 3.71 7.41 0.00 -1.26 -5.00 105.19 110.82 1iq8 n GLY 90 Ca 0.09 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 1iq8 n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iq8 s ILE 91 N 0.46 4.91 -0.29 -0.61 1.01 0.11 -4.96 121.20 121.83 1iq8 s ILE 91 Ca 0.00 1.90 -0.03 0.00 0.00 0.00 0.00 60.65 62.52 1iq8 s ILE 91 Cb 0.00 -4.25 0.04 0.00 0.01 0.00 0.00 42.46 38.26 1iq8 s ILE 91 CO 0.00 0.18 0.00 -0.63 0.00 0.00 0.00 174.94 174.49 1iq8 s ILE 92 N 0.99 3.17 0.32 2.92 1.01 -1.26 -1.55 121.20 126.81 1iq8 s ILE 92 Ca 0.48 -1.17 0.02 0.00 0.00 0.00 0.00 60.65 59.99 1iq8 s ILE 92 Cb -0.20 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 1iq8 s ILE 92 CO 0.25 -0.01 0.49 -0.70 0.00 0.00 0.00 174.94 174.98 1iq8 s GLU 93 N 1.32 3.39 -0.00 2.79 2.12 -0.21 -1.66 118.70 126.46 1iq8 s GLU 93 Ca -0.02 -0.55 0.02 0.00 0.36 0.00 0.00 54.97 54.78 1iq8 s GLU 93 Cb -0.19 -2.74 -0.01 0.00 0.26 0.00 0.00 34.13 31.46 1iq8 s GLU 93 CO -0.01 0.19 -0.07 0.08 -0.54 0.00 0.00 175.26 174.90 1iq8 s VAL 94 N -2.22 0.56 0.07 3.70 1.01 -0.84 -2.38 120.40 120.31 1iq8 s VAL 94 Ca 0.39 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 1iq8 s VAL 94 Cb -0.09 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.75 1iq8 s VAL 94 CO 0.34 0.13 0.33 -0.62 0.00 0.00 0.00 175.10 175.28 1iq8 s ASP 95 N -0.24 6.52 -0.41 3.32 3.68 0.16 -4.28 116.67 125.41 1iq8 s ASP 95 Ca 0.02 0.61 0.01 0.00 2.13 0.00 0.00 52.55 55.32 1iq8 s ASP 95 Cb -0.03 -2.10 0.44 0.00 -1.45 0.00 0.00 42.92 39.77 1iq8 s ASP 95 CO -0.00 0.16 1.84 -1.54 0.13 0.00 0.00 175.17 175.76 1iq8 n SER 96 N 0.66 5.08 -0.89 -0.34 3.41 -1.26 -0.58 113.62 119.70 1iq8 n SER 96 Ca -0.07 -3.32 -0.11 0.00 -0.26 0.00 0.00 58.87 55.11 1iq8 n SER 96 Cb 0.52 -0.87 -0.05 0.00 -0.26 0.00 0.00 64.21 63.56 1iq8 n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iq8 n GLY 97 N -0.58 1.05 0.34 5.00 0.00 -1.26 -4.73 105.19 105.01 1iq8 n GLY 97 Ca 0.46 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.64 1iq8 n GLY 97 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1iq8 h SER 98 N 0.00 0.00 0.64 1.61 0.02 -1.89 0.86 113.55 114.79 1iq8 h SER 98 Ca -0.23 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.61 1iq8 h SER 98 Cb 1.11 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 1iq8 h SER 98 CO 0.33 0.00 -0.54 0.15 -1.14 0.00 0.00 176.83 175.64 1iq8 h PHE 99 N 0.00 0.00 0.00 3.45 3.57 -1.95 -1.62 116.94 120.39 1iq8 h PHE 99 Ca 0.03 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1iq8 h PHE 99 Cb 0.75 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.49 1iq8 h PHE 99 CO 0.00 0.54 0.00 1.04 -2.23 0.00 0.00 178.31 177.66 1iq8 n GLN 100 N -3.78 0.27 0.08 1.11 3.00 0.30 -0.71 117.38 117.64 1iq8 n GLN 100 Ca -0.01 0.24 0.12 0.00 -0.01 0.00 0.00 57.00 57.34 1iq8 n GLN 100 Cb 0.57 -1.82 0.29 0.00 0.00 0.00 0.00 30.24 29.27 1iq8 n GLN 100 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1iq8 n LEU 101 N -2.29 0.74 -0.11 1.08 7.94 -0.64 -0.99 117.00 122.74 1iq8 n LEU 101 Ca 0.05 0.39 -0.17 0.00 -1.11 0.00 0.00 56.01 55.17 1iq8 n LEU 101 Cb 0.42 -0.25 -0.09 0.00 0.53 0.00 0.00 43.42 44.03 1iq8 n LEU 101 CO 0.30 -0.11 -1.21 0.80 -1.11 0.00 0.00 177.39 176.05 1iq8 n MET 102 N -2.16 0.52 -0.01 1.96 1.56 -1.03 -2.93 117.12 115.01 1iq8 n MET 102 Ca 0.04 0.15 -0.09 0.00 -0.27 0.00 0.00 57.70 57.53 1iq8 n MET 102 Cb 0.43 -1.39 0.08 0.00 2.15 0.00 0.00 33.22 34.49 1iq8 n MET 102 CO 0.00 0.00 0.00 0.87 -0.73 0.00 0.00 175.97 176.11 1iq8 h LYS 103 N -0.21 0.60 -0.05 2.12 1.57 -1.02 -3.29 116.57 116.28 1iq8 h LYS 103 Ca -0.50 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 57.95 1iq8 h LYS 103 Cb 1.67 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.00 1iq8 h LYS 103 CO -0.15 0.93 0.00 0.66 -0.57 0.00 0.00 179.45 180.32 1iq8 n TYR 104 N -4.01 0.06 0.00 -1.35 0.53 -0.16 -4.99 117.16 107.23 1iq8 n TYR 104 Ca -0.02 -0.15 0.00 0.00 -1.02 0.00 0.00 57.90 56.70 1iq8 n TYR 104 Cb 0.55 -0.01 0.00 0.00 -1.03 0.00 0.00 39.34 38.85 1iq8 n TYR 104 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1iq8 n GLY 105 N 0.16 1.18 3.25 2.72 0.00 -1.15 -4.87 105.19 106.48 1iq8 n GLY 105 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 1iq8 n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1iq8 s SER 106 N -0.87 0.61 -0.14 1.61 1.04 -1.25 -4.83 113.70 109.87 1iq8 s SER 106 Ca 0.00 -1.39 -0.11 0.00 0.48 0.00 0.00 55.95 54.92 1iq8 s SER 106 Cb 0.00 0.29 0.04 0.00 0.10 0.00 0.00 66.02 66.45 1iq8 s SER 106 CO 0.00 -0.80 0.37 -0.51 0.98 0.00 0.00 173.24 173.28 1iq8 s ILE 107 N -3.98 -0.01 -1.22 -1.02 2.07 -1.26 -4.14 121.20 111.64 1iq8 s ILE 107 Ca 0.38 0.03 -0.06 0.00 -1.41 0.00 0.00 60.65 59.59 1iq8 s ILE 107 Cb 0.07 -0.52 0.21 0.00 0.13 0.00 0.00 42.46 42.34 1iq8 s ILE 107 CO 0.13 0.01 1.89 -0.62 -1.91 0.00 0.00 174.94 174.44 1iq8 n GLU 108 N 3.29 4.21 -3.64 3.50 4.71 -1.26 -4.88 120.64 126.57 1iq8 n GLU 108 Ca -0.16 -3.87 -0.06 0.00 -0.01 0.00 0.00 57.16 53.06 1iq8 n GLU 108 Cb 0.57 -2.72 -0.07 0.00 -1.01 0.00 0.00 31.44 28.21 1iq8 n GLU 108 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1iq8 s VAL 109 N -1.16 0.00 0.58 2.62 0.11 -1.26 -5.08 120.40 116.21 1iq8 s VAL 109 Ca 0.40 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.34 1iq8 s VAL 109 Cb 0.11 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.92 1iq8 s VAL 109 CO -0.00 0.00 0.98 -0.94 -3.33 0.00 0.00 175.10 171.81 1iq8 s SER 110 N 0.02 6.30 0.11 3.54 1.04 -1.26 -4.91 113.70 118.54 1iq8 s SER 110 Ca 0.05 1.36 -0.30 0.00 0.48 0.00 0.00 55.95 57.55 1iq8 s SER 110 Cb -0.05 -2.44 -0.09 0.00 0.10 0.00 0.00 66.02 63.54 1iq8 s SER 110 CO -0.11 -0.77 1.60 -1.13 0.98 0.00 0.00 173.24 173.81 1iq8 h ASN 111 N 0.00 -1.10 -0.88 7.02 -0.00 -2.00 -2.01 115.58 116.62 1iq8 h ASN 111 Ca -0.45 0.12 0.09 0.00 -0.00 0.00 0.00 56.30 56.06 1iq8 h ASN 111 Cb 1.19 0.41 -0.06 0.00 -0.00 0.00 0.00 38.32 39.86 1iq8 h ASN 111 CO 0.62 -0.46 0.57 -0.09 -0.00 0.00 0.00 177.43 178.07 1iq8 h ARG 112 N -0.62 0.89 0.05 6.67 2.43 -1.97 -2.65 114.38 119.18 1iq8 h ARG 112 Ca 0.02 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1iq8 h ARG 112 Cb 0.64 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1iq8 h ARG 112 CO -0.21 0.59 -0.02 0.93 -1.51 0.00 0.00 179.97 179.74 1iq8 h GLU 113 N 0.91 -0.06 -0.45 0.20 5.08 -1.77 -1.45 114.58 117.05 1iq8 h GLU 113 Ca 0.40 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.72 1iq8 h GLU 113 Cb 0.34 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1iq8 h GLU 113 CO -0.16 0.14 0.11 -0.84 -1.00 0.00 0.00 179.01 177.26 1iq8 h ILE 114 N -0.26 1.20 -0.35 3.13 -0.00 -1.26 -0.01 117.51 119.96 1iq8 h ILE 114 Ca -0.01 -0.70 -0.03 0.00 -0.00 0.00 0.00 64.86 64.11 1iq8 h ILE 114 Cb 0.23 0.73 -0.01 0.00 -0.00 0.00 0.00 36.82 37.77 1iq8 h ILE 114 CO 0.01 0.26 0.08 0.40 -0.00 0.00 0.00 178.15 178.90 1iq8 h ILE 115 N 0.66 1.22 -0.71 0.16 2.04 -1.40 -0.41 117.51 119.08 1iq8 h ILE 115 Ca 0.15 -0.76 -0.06 0.00 1.00 0.00 0.00 64.86 65.19 1iq8 h ILE 115 Cb 0.24 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1iq8 h ILE 115 CO -0.00 0.26 0.20 -0.33 0.00 0.00 0.00 178.15 178.28 1iq8 h GLU 116 N 0.41 1.10 -0.66 2.37 5.08 -0.81 -2.42 114.58 119.66 1iq8 h GLU 116 Ca 0.11 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 1iq8 h GLU 116 Cb 0.30 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1iq8 h GLU 116 CO 0.00 0.95 0.19 0.35 -1.00 0.00 0.00 179.01 179.50 1iq8 h PHE 117 N 1.05 1.04 -0.68 4.33 3.57 -0.71 -1.63 116.94 123.92 1iq8 h PHE 117 Ca 0.23 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1iq8 h PHE 117 Cb 0.32 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 1iq8 h PHE 117 CO 0.03 0.84 0.34 1.96 -2.23 0.00 0.00 178.31 179.24 1iq8 h GLN 118 N 0.97 0.95 -0.26 1.11 4.20 -0.62 -2.13 115.11 119.33 1iq8 h GLN 118 Ca 0.21 -0.12 -0.15 0.00 0.06 0.00 0.00 58.65 58.66 1iq8 h GLN 118 Cb 0.29 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 1iq8 h GLN 118 CO -0.01 0.72 -0.42 0.45 -0.67 0.00 0.00 178.83 178.91 1iq8 h HIS 119 N 0.95 0.93 -0.33 2.96 3.86 -1.03 -2.40 115.15 120.09 1iq8 h HIS 119 Ca 0.24 -0.32 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 1iq8 h HIS 119 Cb 0.07 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 1iq8 h HIS 119 CO 0.01 1.11 0.14 0.00 0.86 0.00 0.00 177.93 180.05 1iq8 h ARG 120 N 0.49 0.46 -0.01 2.45 3.08 -0.91 -2.33 114.38 117.60 1iq8 h ARG 120 Ca 0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1iq8 h ARG 120 Cb 1.02 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1iq8 h ARG 120 CO 0.10 0.37 -0.03 0.44 -1.07 0.00 0.00 179.97 179.78 1iq8 n ILE 121 N -4.41 0.00 -2.66 2.04 -5.35 -0.84 -4.88 119.36 103.26 1iq8 n ILE 121 Ca 0.02 -0.24 -0.05 0.00 -0.27 0.00 0.00 62.75 62.21 1iq8 n ILE 121 Cb 0.13 0.51 0.02 0.00 -1.74 0.00 0.00 39.64 38.55 1iq8 n ILE 121 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1iq8 n GLY 122 N 1.20 0.51 3.77 3.28 0.00 -0.88 -0.70 105.19 112.37 1iq8 n GLY 122 Ca 0.18 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1iq8 n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iq8 s VAL 123 N -3.08 3.14 -0.06 1.61 1.01 -0.92 -4.75 120.40 117.35 1iq8 s VAL 123 Ca 0.11 0.66 -0.12 0.00 0.00 0.00 0.00 61.98 62.62 1iq8 s VAL 123 Cb -0.05 -3.22 -0.30 0.00 0.00 0.00 0.00 36.38 32.81 1iq8 s VAL 123 CO 0.17 -0.21 0.63 0.44 0.00 0.00 0.00 175.10 176.14 1iq8 h ASP 124 N 0.84 0.56 -3.26 3.32 3.32 -1.67 -3.46 116.42 116.07 1iq8 h ASP 124 Ca -0.49 -0.92 -0.43 0.00 0.02 0.00 0.00 57.03 55.20 1iq8 h ASP 124 Cb 1.26 -0.18 -0.38 0.00 0.22 0.00 0.00 39.33 40.25 1iq8 h ASP 124 CO 0.56 1.75 -0.77 -0.63 -1.72 0.00 0.00 179.24 178.43 1iq8 s ILE 125 N -2.55 0.36 0.23 0.35 1.01 -1.12 -4.15 121.20 115.33 1iq8 s ILE 125 Ca -0.17 0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.64 1iq8 s ILE 125 Cb 0.05 -0.52 0.03 0.00 0.01 0.00 0.00 42.46 42.03 1iq8 s ILE 125 CO 0.83 0.26 0.26 0.61 0.00 0.00 0.00 174.94 176.89 1iq8 n GLY 126 N 5.11 2.35 3.52 6.18 0.00 -0.83 -1.98 105.19 119.55 1iq8 n GLY 126 Ca -0.08 -2.19 -0.13 0.00 0.00 0.00 0.00 46.02 43.63 1iq8 n GLY 126 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iq8 s THR 127 N -0.72 0.00 0.30 2.61 2.01 -1.26 -1.40 115.64 117.18 1iq8 s THR 127 Ca 0.20 -1.53 0.03 0.00 0.31 0.00 0.00 61.69 60.69 1iq8 s THR 127 Cb -0.02 -2.53 -0.06 0.00 0.01 0.00 0.00 72.50 69.91 1iq8 s THR 127 CO 0.12 0.00 0.08 0.72 -0.69 0.00 0.00 174.62 174.85 1iq8 s PHE 128 N -3.33 1.79 -0.58 4.92 -0.12 -1.26 -4.69 117.98 114.71 1iq8 s PHE 128 Ca 0.28 -1.07 -0.04 0.00 -0.05 0.00 0.00 56.93 56.05 1iq8 s PHE 128 Cb -0.00 -1.13 -0.03 0.00 -0.63 0.00 0.00 43.02 41.23 1iq8 s PHE 128 CO 0.16 -0.15 1.70 1.28 -0.05 0.00 0.00 175.22 178.16 1iq8 n LEU 129 N -0.61 3.12 -4.76 -1.99 4.77 -1.26 -4.86 117.00 111.40 1iq8 n LEU 129 Ca -0.01 -2.20 -0.40 0.00 -0.03 0.00 0.00 56.01 53.36 1iq8 n LEU 129 Cb 0.66 -0.88 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 1iq8 n LEU 129 CO 0.40 -0.07 0.86 1.51 -1.33 0.00 0.00 177.39 178.77 1iq8 s ASP 130 N 4.00 7.07 -0.29 -1.43 1.47 -1.26 -4.84 116.67 121.39 1iq8 s ASP 130 Ca 0.25 2.43 -0.18 0.00 1.18 0.00 0.00 52.55 56.23 1iq8 s ASP 130 Cb 0.06 -2.64 -0.02 0.00 -0.34 0.00 0.00 42.92 39.99 1iq8 s ASP 130 CO -0.02 -0.29 0.50 -0.63 0.68 0.00 0.00 175.17 175.41 1iq8 s ILE 131 N -1.16 5.06 -1.30 2.11 1.01 -1.26 -4.87 121.20 120.80 1iq8 s ILE 131 Ca 0.46 0.66 -0.18 0.00 0.00 0.00 0.00 60.65 61.59 1iq8 s ILE 131 Cb -0.35 -3.86 0.04 0.00 0.01 0.00 0.00 42.46 38.30 1iq8 s ILE 131 CO 0.46 -0.02 1.82 -0.81 0.00 0.00 0.00 174.94 176.39 1iq8 n PRO 132 N 5.60 2.94 -1.68 2.79 -0.05 -1.26 -4.89 135.00 138.46 1iq8 n PRO 132 Ca -0.05 -3.08 -0.47 0.00 -0.05 0.00 0.00 63.50 59.86 1iq8 n PRO 132 Cb 0.50 -3.49 -0.04 0.00 -0.05 0.00 0.00 33.50 30.41 1iq8 n PRO 132 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 175.50 177.86 1iq8 n THR 133 N 6.40 0.64 -0.92 0.52 -1.04 -1.26 -4.81 114.28 113.81 1iq8 n THR 133 Ca 0.49 -0.12 -0.32 0.00 -2.04 0.00 0.00 64.05 62.06 1iq8 n THR 133 Cb 0.45 -2.00 0.15 0.00 -1.82 0.00 0.00 70.33 67.11 1iq8 n THR 133 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1iq8 s PRO 134 N 4.22 1.34 0.67 -2.82 0.02 -1.26 -4.34 135.00 132.83 1iq8 s PRO 134 Ca 0.92 1.65 -0.17 0.00 0.02 0.00 0.00 61.00 63.41 1iq8 s PRO 134 Cb -0.63 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.14 1iq8 s PRO 134 CO 0.49 -2.41 1.29 -2.30 -0.33 0.00 0.00 177.00 173.74 1iq8 n PRO 135 N -3.76 1.01 -3.37 5.54 -0.02 -1.26 -3.22 135.00 129.92 1iq8 n PRO 135 Ca 0.13 0.40 -0.24 0.00 -2.02 0.00 0.00 63.50 61.77 1iq8 n PRO 135 Cb 0.51 -2.53 0.02 0.00 -0.02 0.00 0.00 33.50 31.48 1iq8 n PRO 135 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1iq8 n ASP 136 N -2.08 -4.75 -4.87 2.55 8.00 -1.26 -4.93 116.55 109.20 1iq8 n ASP 136 Ca 0.16 -0.44 -0.30 0.00 0.71 0.00 0.00 54.79 54.92 1iq8 n ASP 136 Cb 0.48 -3.86 -0.01 0.00 -0.02 0.00 0.00 41.12 37.71 1iq8 n ASP 136 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iq8 s ALA 137 N -3.09 3.18 0.17 2.24 0.00 -1.20 -4.96 121.76 118.10 1iq8 s ALA 137 Ca 0.43 -0.12 -0.33 0.00 0.00 0.00 0.00 51.96 51.94 1iq8 s ALA 137 Cb -0.21 -2.95 -0.12 0.00 0.00 0.00 0.00 23.12 19.84 1iq8 s ALA 137 CO 0.53 -0.43 1.71 -2.30 0.00 0.00 0.00 175.76 175.26 1iq8 n PRO 138 N -2.19 2.57 -0.34 0.00 -0.02 -1.26 -4.78 135.00 128.97 1iq8 n PRO 138 Ca 0.05 0.93 0.21 0.00 -2.02 0.00 0.00 63.50 62.66 1iq8 n PRO 138 Cb 0.54 -2.76 0.43 0.00 -0.02 0.00 0.00 33.50 31.69 1iq8 n PRO 138 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1iq8 h ARG 139 N 6.93 0.44 -0.95 -0.52 2.43 -1.99 0.33 114.38 121.05 1iq8 h ARG 139 Ca -0.44 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 58.77 1iq8 h ARG 139 Cb 1.22 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 30.61 1iq8 h ARG 139 CO 0.93 0.29 0.60 1.49 -1.51 0.00 0.00 179.97 181.77 1iq8 h GLU 140 N 0.45 1.03 0.24 0.20 4.81 -2.00 -0.85 114.58 118.45 1iq8 h GLU 140 Ca 0.69 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.84 1iq8 h GLU 140 Cb 1.44 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1iq8 h GLU 140 CO -0.54 0.68 -0.11 0.37 -0.73 0.00 0.00 179.01 178.67 1iq8 h GLN 141 N 1.06 -0.31 -0.95 1.92 4.15 -0.71 -1.53 115.11 118.75 1iq8 h GLN 141 Ca 0.42 0.02 0.19 0.00 0.77 0.00 0.00 58.65 60.06 1iq8 h GLN 141 Cb 0.23 0.07 -0.08 0.00 0.21 0.00 0.00 27.48 27.90 1iq8 h GLN 141 CO -0.19 -0.00 0.61 0.00 -1.93 0.00 0.00 178.83 177.31 1iq8 h ALA 142 N 0.05 2.00 0.01 3.38 0.00 -0.95 0.93 119.26 124.68 1iq8 h ALA 142 Ca -0.03 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1iq8 h ALA 142 Cb 0.44 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1iq8 h ALA 142 CO 0.05 -0.31 -0.01 0.28 0.00 0.00 0.00 179.25 179.27 1iq8 h VAL 143 N 0.56 1.47 -0.11 0.00 2.07 -1.07 -2.37 116.25 116.80 1iq8 h VAL 143 Ca 0.51 -1.50 0.02 0.00 0.82 0.00 0.00 66.70 66.55 1iq8 h VAL 143 Cb 1.05 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 33.27 1iq8 h VAL 143 CO -0.25 0.38 -0.04 0.50 0.02 0.00 0.00 177.57 178.19 1iq8 h LYS 144 N -0.67 -0.02 -0.78 1.57 3.64 -0.54 -1.18 116.57 118.60 1iq8 h LYS 144 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1iq8 h LYS 144 Cb 0.64 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.43 1iq8 h LYS 144 CO 0.00 -0.01 0.46 0.93 -2.27 0.00 0.00 179.45 178.56 1iq8 h GLU 145 N -0.02 1.06 -0.74 1.90 5.08 -0.96 -2.15 114.58 118.76 1iq8 h GLU 145 Ca 0.06 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1iq8 h GLU 145 Cb 0.10 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1iq8 h GLU 145 CO -0.12 0.76 0.35 1.25 -1.00 0.00 0.00 179.01 180.26 1iq8 h LEU 146 N 1.07 0.96 -0.69 1.33 5.85 -1.01 0.10 115.31 122.93 1iq8 h LEU 146 Ca 0.28 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.78 1iq8 h LEU 146 Cb -0.02 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 1iq8 h LEU 146 CO -0.05 0.82 -0.16 -0.33 -0.34 0.00 0.00 178.44 178.38 1iq8 h GLU 147 N 1.06 0.85 -0.64 1.25 4.39 -0.86 0.20 114.58 120.83 1iq8 h GLU 147 Ca 0.26 -0.32 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 1iq8 h GLU 147 Cb 0.11 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 1iq8 h GLU 147 CO -0.03 0.95 0.20 0.82 -1.16 0.00 0.00 179.01 179.78 1iq8 h ILE 148 N 0.75 1.25 -0.39 3.13 2.04 -0.86 0.55 117.51 123.98 1iq8 h ILE 148 Ca 0.11 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 1iq8 h ILE 148 Cb 0.68 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1iq8 h ILE 148 CO 0.05 0.33 0.21 0.74 0.00 0.00 0.00 178.15 179.47 1iq8 h THR 149 N 0.92 1.16 -0.31 -0.27 2.02 -0.10 -0.46 112.91 115.86 1iq8 h THR 149 Ca 0.21 -0.42 -0.06 0.00 0.77 0.00 0.00 66.41 66.90 1iq8 h THR 149 Cb 0.30 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1iq8 h THR 149 CO -0.01 0.16 -0.07 -0.07 0.37 0.00 0.00 175.52 175.90 1iq8 h LEU 150 N 0.50 0.49 -0.39 2.58 3.38 -0.36 -0.30 115.31 121.21 1iq8 h LEU 150 Ca 0.14 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 1iq8 h LEU 150 Cb 0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1iq8 h LEU 150 CO -0.02 0.61 -0.38 -1.28 0.09 0.00 0.00 178.44 177.46 1iq8 h SER 151 N 0.48 1.01 0.61 -0.43 0.87 -0.52 -2.15 113.55 113.42 1iq8 h SER 151 Ca 0.10 -0.46 -0.09 0.00 -1.23 0.00 0.00 61.79 60.10 1iq8 h SER 151 Cb 0.43 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1iq8 h SER 151 CO 0.02 1.26 -0.42 0.03 -0.53 0.00 0.00 176.83 177.20 1iq8 h ARG 152 N 0.77 0.00 -0.41 2.24 3.08 -0.78 -2.76 114.38 116.52 1iq8 h ARG 152 Ca 0.06 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 1iq8 h ARG 152 Cb 0.98 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 1iq8 h ARG 152 CO 0.09 0.42 -0.24 0.00 -1.07 0.00 0.00 179.97 179.17 1iq8 h ALA 153 N 1.58 0.81 -0.51 0.04 0.00 -0.78 -1.51 119.26 118.89 1iq8 h ALA 153 Ca -0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 1iq8 h ALA 153 Cb 0.84 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1iq8 h ALA 153 CO 0.05 0.65 -0.12 0.00 0.00 0.00 0.00 179.25 179.83 1iq8 h ARG 154 N 0.72 0.96 -0.28 0.00 3.08 -1.12 -0.96 114.38 116.78 1iq8 h ARG 154 Ca 0.09 -0.35 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 1iq8 h ARG 154 Cb 0.77 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1iq8 h ARG 154 CO 0.06 1.02 0.09 1.49 -1.07 0.00 0.00 179.97 181.56 1iq8 h GLU 155 N 0.85 0.43 -0.69 0.04 4.81 -1.37 -2.62 114.58 116.03 1iq8 h GLU 155 Ca 0.13 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1iq8 h GLU 155 Cb 0.66 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 1iq8 h GLU 155 CO 0.05 0.48 0.45 0.00 -0.73 0.00 0.00 179.01 179.26 1iq8 h ALA 156 N 0.93 0.89 -0.61 2.92 0.00 -1.11 -1.59 119.26 120.69 1iq8 h ALA 156 Ca 0.09 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1iq8 h ALA 156 Cb 0.22 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1iq8 h ALA 156 CO -0.00 0.26 0.28 1.49 0.00 0.00 0.00 179.25 181.28 1iq8 h GLU 157 N 0.90 0.50 0.00 0.00 4.81 -0.99 0.29 114.58 120.09 1iq8 h GLU 157 Ca 0.26 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.35 1iq8 h GLU 157 Cb -0.06 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 1iq8 h GLU 157 CO -0.08 0.33 -0.55 0.93 -0.73 0.00 0.00 179.01 178.92 1iq8 h GLU 158 N 0.52 0.00 0.00 1.92 5.08 -1.06 -3.33 114.58 117.70 1iq8 h GLU 158 Ca 0.29 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.47 1iq8 h GLU 158 Cb 0.27 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1iq8 h GLU 158 CO -0.23 0.55 -1.96 -0.89 -1.00 0.00 0.00 179.01 175.48 1iq8 n ILE 159 N -3.82 0.84 -1.82 3.13 5.41 -0.64 -5.01 119.36 117.45 1iq8 n ILE 159 Ca -0.01 -0.68 -0.39 0.00 1.00 0.00 0.00 62.75 62.66 1iq8 n ILE 159 Cb 0.57 -0.37 0.02 0.00 -0.71 0.00 0.00 39.64 39.14 1iq8 n ILE 159 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1iq8 s LYS 160 N -2.98 3.57 -0.02 0.38 -2.85 0.97 -4.93 119.74 113.89 1iq8 s LYS 160 Ca -0.07 2.35 0.02 0.00 -1.00 0.00 0.00 55.97 57.27 1iq8 s LYS 160 Cb 0.10 -2.56 0.04 0.00 -2.06 0.00 0.00 37.83 33.34 1iq8 s LYS 160 CO 0.85 -0.88 0.84 0.39 0.10 0.00 0.00 175.35 176.65 1iq8 n GLU 161 N -0.38 1.43 -4.08 1.78 -0.58 -1.26 -5.03 120.64 112.52 1iq8 n GLU 161 Ca 0.06 -1.23 -0.09 0.00 -0.42 0.00 0.00 57.16 55.49 1iq8 n GLU 161 Cb 0.43 -0.83 -0.09 0.00 -0.57 0.00 0.00 31.44 30.37 1iq8 n GLU 161 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1iq8 s ILE 162 N -0.77 0.14 0.59 -3.67 -4.36 -1.26 -5.14 121.20 106.73 1iq8 s ILE 162 Ca 0.04 -1.75 -0.20 0.00 -0.26 0.00 0.00 60.65 58.48 1iq8 s ILE 162 Cb 0.03 -1.79 -0.03 0.00 1.25 0.00 0.00 42.46 41.92 1iq8 s ILE 162 CO 0.00 -0.63 1.32 -2.84 0.24 0.00 0.00 174.94 173.03 1iq8 s PRO 163 N -3.98 2.90 -0.00 0.37 0.02 -1.26 -4.86 135.00 128.19 1iq8 s PRO 163 Ca 0.16 2.12 -0.07 0.00 0.02 0.00 0.00 61.00 63.23 1iq8 s PRO 163 Cb 0.07 -2.07 0.00 0.00 0.02 0.00 0.00 34.50 32.53 1iq8 s PRO 163 CO -0.03 -1.34 0.15 -1.64 -0.33 0.00 0.00 177.00 173.80 1iq8 s MET 164 N -3.13 0.46 0.26 5.54 -1.94 -1.26 -1.97 119.30 117.26 1iq8 s MET 164 Ca 0.76 -0.33 -0.25 0.00 -1.71 0.00 0.00 55.69 54.17 1iq8 s MET 164 Cb -0.38 0.19 -0.09 0.00 2.01 0.00 0.00 34.83 36.56 1iq8 s MET 164 CO 0.43 -0.11 0.86 -0.80 -0.01 0.00 0.00 175.02 175.39 1iq8 s ASN 165 N -1.24 7.31 -0.42 3.03 0.02 -0.49 -2.30 114.94 120.85 1iq8 s ASN 165 Ca -0.13 1.71 0.02 0.00 -1.02 0.00 0.00 52.86 53.43 1iq8 s ASN 165 Cb -0.07 -2.53 0.13 0.00 0.02 0.00 0.00 41.25 38.80 1iq8 s ASN 165 CO 0.02 0.04 0.21 0.00 0.02 0.00 0.00 177.10 177.38 1iq8 s ALA 166 N -1.46 2.08 0.26 0.60 0.00 0.46 -4.50 121.76 119.22 1iq8 s ALA 166 Ca 0.45 -2.47 -0.30 0.00 0.00 0.00 0.00 51.96 49.64 1iq8 s ALA 166 Cb -0.20 -1.86 -0.10 0.00 0.00 0.00 0.00 23.12 20.97 1iq8 s ALA 166 CO 0.24 -2.00 1.31 0.99 0.00 0.00 0.00 175.76 176.30 1iq8 s THR 167 N 0.54 2.96 -0.07 0.00 2.01 -1.26 -3.85 115.64 115.97 1iq8 s THR 167 Ca 0.16 0.86 -0.24 0.00 0.31 0.00 0.00 61.69 62.79 1iq8 s THR 167 Cb -0.23 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 1iq8 s THR 167 CO -0.03 0.17 0.74 -0.63 -0.69 0.00 0.00 174.62 174.17 1iq8 s ILE 168 N -0.48 5.02 -0.31 1.82 1.01 0.23 -4.89 121.20 123.60 1iq8 s ILE 168 Ca 0.53 1.51 0.18 0.00 0.00 0.00 0.00 60.65 62.88 1iq8 s ILE 168 Cb -0.38 -4.07 0.47 0.00 0.01 0.00 0.00 42.46 38.49 1iq8 s ILE 168 CO 0.45 0.22 1.00 1.67 0.00 0.00 0.00 174.94 178.29 1iq8 n GLN 169 N 3.92 1.47 -0.22 2.79 -0.06 -1.26 -0.98 117.38 123.04 1iq8 n GLN 169 Ca -0.00 -3.41 -0.02 0.00 -2.00 0.00 0.00 57.00 51.57 1iq8 n GLN 169 Cb 0.51 -1.41 0.05 0.00 -4.06 0.00 0.00 30.24 25.33 1iq8 n GLN 169 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1iq8 n GLY 170 N -0.23 2.22 7.00 1.69 0.00 -1.26 -4.63 105.19 109.98 1iq8 n GLY 170 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1iq8 n GLY 170 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1iq8 n SER 171 N 0.16 0.00 -1.30 1.61 2.88 -1.26 -1.77 113.62 113.93 1iq8 n SER 171 Ca 0.09 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.70 1iq8 n SER 171 Cb 0.62 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.35 1iq8 n SER 171 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1iq8 n THR 172 N 0.00 1.48 -3.27 2.46 -2.24 -1.26 -4.83 114.28 106.63 1iq8 n THR 172 Ca 0.00 -0.89 -0.43 0.00 -2.27 0.00 0.00 64.05 60.46 1iq8 n THR 172 Cb 0.00 -0.07 -0.08 0.00 -2.10 0.00 0.00 70.33 68.08 1iq8 n THR 172 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1iq8 s TYR 173 N -1.88 3.15 0.22 4.78 1.51 -0.73 -4.95 117.35 119.44 1iq8 s TYR 173 Ca 0.38 -0.27 -0.08 0.00 -1.01 0.00 0.00 57.07 56.09 1iq8 s TYR 173 Cb 0.25 -2.99 0.31 0.00 -0.11 0.00 0.00 41.96 39.42 1iq8 s TYR 173 CO 0.16 -0.73 1.77 1.15 -1.11 0.00 0.00 175.55 176.79 1iq8 h THR 174 N 5.75 0.82 -0.33 -0.71 2.02 -1.88 -1.38 112.91 117.20 1iq8 h THR 174 Ca -0.26 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 1iq8 h THR 174 Cb 1.11 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1iq8 h THR 174 CO 0.81 0.10 0.16 -2.24 0.37 0.00 0.00 175.52 174.72 1iq8 h ASP 175 N 0.52 0.40 0.06 4.18 2.03 -1.94 -1.70 116.42 119.97 1iq8 h ASP 175 Ca 0.33 -0.03 -0.17 0.00 -0.73 0.00 0.00 57.03 56.44 1iq8 h ASP 175 Cb 0.37 -0.10 -0.01 0.00 -0.83 0.00 0.00 39.33 38.76 1iq8 h ASP 175 CO -0.28 0.35 -0.58 -0.07 -1.03 0.00 0.00 179.24 177.62 1iq8 h LEU 176 N 0.46 0.61 -0.43 0.15 3.38 -1.56 -1.52 115.31 116.40 1iq8 h LEU 176 Ca 0.12 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1iq8 h LEU 176 Cb 0.04 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1iq8 h LEU 176 CO -0.02 1.06 0.16 0.03 0.09 0.00 0.00 178.44 179.76 1iq8 h ARG 177 N 0.41 0.64 -0.70 1.13 2.47 -0.74 0.14 114.38 117.73 1iq8 h ARG 177 Ca 0.00 -0.12 -0.05 0.00 -1.26 0.00 0.00 59.98 58.55 1iq8 h ARG 177 Cb 1.13 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 29.32 1iq8 h ARG 177 CO 0.11 0.61 0.25 0.00 0.56 0.00 0.00 179.97 181.50 1iq8 h ARG 178 N 0.54 1.07 0.24 0.04 3.08 -1.27 0.53 114.38 118.61 1iq8 h ARG 178 Ca 0.14 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1iq8 h ARG 178 Cb 0.21 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1iq8 h ARG 178 CO -0.01 0.90 -0.11 -0.92 -1.07 0.00 0.00 179.97 178.76 1iq8 h TYR 179 N 1.01 -0.29 -0.32 3.04 3.20 -0.89 -0.41 116.97 122.32 1iq8 h TYR 179 Ca 0.23 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.12 1iq8 h TYR 179 Cb 0.26 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 1iq8 h TYR 179 CO 0.02 -0.08 0.14 0.00 -1.64 0.00 0.00 178.16 176.60 1iq8 h ALA 180 N 0.27 0.38 -0.82 1.82 0.00 -0.62 -0.95 119.26 119.34 1iq8 h ALA 180 Ca -0.03 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1iq8 h ALA 180 Cb 0.35 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1iq8 h ALA 180 CO 0.05 -0.25 0.53 0.00 0.00 0.00 0.00 179.25 179.58 1iq8 h ALA 181 N 1.18 1.08 -0.21 0.00 0.00 -0.82 -0.72 119.26 119.76 1iq8 h ALA 181 Ca 0.14 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1iq8 h ALA 181 Cb 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1iq8 h ALA 181 CO -0.12 0.37 -0.01 -0.09 0.00 0.00 0.00 179.25 179.40 1iq8 h ARG 182 N 1.04 0.37 -0.23 0.00 2.43 -0.58 -1.80 114.38 115.62 1iq8 h ARG 182 Ca 0.32 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1iq8 h ARG 182 Cb -0.01 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1iq8 h ARG 182 CO -0.11 0.58 0.11 0.00 -1.51 0.00 0.00 179.97 179.04 1iq8 h ARG 183 N 0.13 0.32 -0.27 0.20 2.47 -0.89 -2.82 114.38 113.52 1iq8 h ARG 183 Ca 0.06 -0.05 -0.08 0.00 -1.26 0.00 0.00 59.98 58.65 1iq8 h ARG 183 Cb 0.42 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 1iq8 h ARG 183 CO 0.01 0.33 -0.18 -0.07 0.56 0.00 0.00 179.97 180.62 1iq8 h LEU 184 N 0.24 0.48 -1.45 3.04 -0.00 -1.17 -2.72 115.31 113.73 1iq8 h LEU 184 Ca 0.08 -0.14 -0.04 0.00 -0.00 0.00 0.00 57.88 57.78 1iq8 h LEU 184 Cb 0.11 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.63 1iq8 h LEU 184 CO -0.01 0.68 -0.10 0.28 -0.00 0.00 0.00 178.44 179.29 1iq8 h SER 185 N 0.44 0.23 1.14 -0.43 0.02 -1.18 -1.66 113.55 112.10 1iq8 h SER 185 Ca 0.07 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1iq8 h SER 185 Cb 0.57 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1iq8 h SER 185 CO 0.04 0.35 -0.05 -1.54 -1.14 0.00 0.00 176.83 174.49 1iq8 n SER 186 N -4.30 0.35 -4.96 3.07 3.41 -1.04 -4.79 113.62 105.35 1iq8 n SER 186 Ca -0.01 0.47 -0.22 0.00 -0.26 0.00 0.00 58.87 58.85 1iq8 n SER 186 Cb 0.24 -0.54 0.02 0.00 -0.26 0.00 0.00 64.21 63.68 1iq8 n SER 186 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1iq8 s MET 187 N -3.04 2.86 -0.71 4.33 1.00 -0.62 -5.04 119.30 118.08 1iq8 s MET 187 Ca 0.12 -0.57 -0.11 0.00 0.00 0.00 0.00 55.69 55.13 1iq8 s MET 187 Cb 0.16 -2.52 0.19 0.00 0.00 0.00 0.00 34.83 32.66 1iq8 s MET 187 CO 0.57 -0.46 0.62 0.54 0.00 0.00 0.00 175.02 176.29 1iq8 s ASN 188 N -4.30 6.25 0.25 3.03 4.22 -1.26 -4.97 114.94 118.15 1iq8 s ASN 188 Ca 0.52 -2.54 0.07 0.00 -2.14 0.00 0.00 52.86 48.77 1iq8 s ASN 188 Cb -0.10 -2.11 -0.05 0.00 1.28 0.00 0.00 41.25 40.27 1iq8 s ASN 188 CO 0.38 -0.57 -0.09 -0.36 -2.04 0.00 0.00 177.10 174.42 1iq8 s PHE 189 N 0.41 1.85 -0.04 1.54 0.40 -1.26 -4.95 117.98 115.93 1iq8 s PHE 189 Ca 0.15 -0.65 0.18 0.00 -0.60 0.00 0.00 56.93 56.01 1iq8 s PHE 189 Cb -0.16 -0.97 -0.27 0.00 0.51 0.00 0.00 43.02 42.12 1iq8 s PHE 189 CO -0.05 0.31 0.36 -0.85 0.70 0.00 0.00 175.22 175.69 1iq8 n GLU 190 N -0.50 0.60 -4.04 0.44 0.00 -0.97 -4.99 120.64 111.19 1iq8 n GLU 190 Ca -0.06 -0.15 -0.14 0.00 0.00 0.00 0.00 57.16 56.81 1iq8 n GLU 190 Cb 0.62 -1.42 -0.14 0.00 0.00 0.00 0.00 31.44 30.50 1iq8 n GLU 190 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1iq8 s ILE 191 N -3.17 0.25 -0.43 3.84 1.01 -1.14 -4.02 121.20 117.54 1iq8 s ILE 191 Ca -0.07 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.37 1iq8 s ILE 191 Cb 0.11 -0.23 0.12 0.00 0.01 0.00 0.00 42.46 42.46 1iq8 s ILE 191 CO 0.74 0.01 0.18 -1.00 0.00 0.00 0.00 174.94 174.87 1iq8 s HIS 192 N -0.21 3.58 0.64 3.97 3.76 -0.66 -0.40 115.29 125.97 1iq8 s HIS 192 Ca -0.00 -2.80 -0.12 0.00 -0.15 0.00 0.00 55.06 51.98 1iq8 s HIS 192 Cb -0.02 -3.05 -0.02 0.00 1.11 0.00 0.00 32.58 30.61 1iq8 s HIS 192 CO -0.00 -0.91 1.05 -2.14 -0.85 0.00 0.00 174.74 171.88 1iq8 s PRO 193 N 0.68 3.24 -0.26 8.40 0.02 -1.25 -2.38 135.00 143.45 1iq8 s PRO 193 Ca 0.12 0.95 -0.03 0.00 0.02 0.00 0.00 61.00 62.06 1iq8 s PRO 193 Cb -0.21 -2.03 0.02 0.00 0.02 0.00 0.00 34.50 32.29 1iq8 s PRO 193 CO -0.05 -0.86 -0.02 0.42 -0.33 0.00 0.00 177.00 176.16 1iq8 s ILE 194 N -2.94 3.19 0.57 2.83 1.01 0.20 -0.60 121.20 125.46 1iq8 s ILE 194 Ca 0.58 -0.92 0.10 0.00 0.00 0.00 0.00 60.65 60.41 1iq8 s ILE 194 Cb -0.13 -2.62 0.08 0.00 0.01 0.00 0.00 42.46 39.80 1iq8 s ILE 194 CO 0.50 0.17 0.78 -0.83 0.00 0.00 0.00 174.94 175.56 1iq8 s GLY 195 N 1.38 1.74 -0.46 6.18 0.00 -0.15 -2.73 107.32 113.28 1iq8 s GLY 195 Ca 0.01 -2.12 0.00 0.00 0.00 0.00 0.00 44.72 42.61 1iq8 s GLY 195 CO -0.03 -1.67 0.00 0.61 0.00 0.00 0.00 173.10 172.01 1iq8 n GLY 196 N -2.23 0.66 0.01 0.20 0.00 -1.26 -4.78 105.19 97.79 1iq8 n GLY 196 Ca 0.15 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 46.00 1iq8 n GLY 196 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1iq8 n VAL 197 N -2.64 0.04 -0.19 1.61 0.24 -1.26 -4.48 118.33 111.65 1iq8 n VAL 197 Ca -0.04 -0.18 -0.03 0.00 -2.04 0.00 0.00 64.34 62.05 1iq8 n VAL 197 Cb 0.26 0.54 0.04 0.00 -1.47 0.00 0.00 33.84 33.21 1iq8 n VAL 197 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1iq8 h VAL 198 N 0.00 0.32 0.00 3.34 2.07 -1.90 0.37 116.25 120.44 1iq8 h VAL 198 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1iq8 h VAL 198 Cb 0.68 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1iq8 h VAL 198 CO 0.00 0.00 -0.18 -0.65 0.02 0.00 0.00 177.57 176.76 1iq8 h PRO 199 N -0.07 0.00 -0.15 1.57 0.11 -1.98 -2.45 132.00 129.04 1iq8 h PRO 199 Ca 0.27 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.29 1iq8 h PRO 199 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1iq8 h PRO 199 CO -0.63 0.18 -0.27 -0.07 -0.21 0.00 0.00 178.00 177.00 1iq8 h LEU 200 N 0.00 0.49 -0.22 2.35 3.38 -1.25 -2.32 115.31 117.74 1iq8 h LEU 200 Ca -0.00 -0.55 -0.00 0.00 0.09 0.00 0.00 57.88 57.42 1iq8 h LEU 200 Cb 0.33 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1iq8 h LEU 200 CO 0.02 0.94 0.13 -0.07 0.09 0.00 0.00 178.44 179.55 1iq8 h LEU 201 N 0.05 0.27 -1.81 1.67 3.38 -1.07 0.19 115.31 117.99 1iq8 h LEU 201 Ca 0.01 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1iq8 h LEU 201 Cb 0.85 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1iq8 h LEU 201 CO 0.06 0.25 0.01 -0.33 0.09 0.00 0.00 178.44 178.52 1iq8 h GLU 202 N 0.26 0.13 -0.01 1.13 5.08 -1.49 0.61 114.58 120.29 1iq8 h GLU 202 Ca 0.08 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1iq8 h GLU 202 Cb 0.03 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1iq8 h GLU 202 CO -0.01 0.13 -0.08 0.43 -1.00 0.00 0.00 179.01 178.48 1iq8 n SER 203 N -4.47 0.82 -1.98 1.42 7.64 -0.86 -4.92 113.62 111.27 1iq8 n SER 203 Ca -0.02 -0.99 -0.18 0.00 1.01 0.00 0.00 58.87 58.69 1iq8 n SER 203 Cb 0.13 -0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.31 1iq8 n SER 203 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1iq8 n TYR 204 N -0.55 -0.80 -1.93 1.43 0.53 0.20 -4.89 117.16 111.17 1iq8 n TYR 204 Ca 0.17 0.00 -0.38 0.00 -1.02 0.00 0.00 57.90 56.67 1iq8 n TYR 204 Cb 0.29 -3.50 -0.01 0.00 -1.03 0.00 0.00 39.34 35.09 1iq8 n TYR 204 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 1iq8 n ARG 205 N -2.69 4.32 -0.24 -0.72 1.74 0.52 -4.73 116.66 114.86 1iq8 n ARG 205 Ca -0.21 -3.32 0.05 0.00 -0.77 0.00 0.00 57.85 53.61 1iq8 n ARG 205 Cb 0.66 -2.56 0.30 0.00 -1.02 0.00 0.00 32.46 29.83 1iq8 n ARG 205 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1iq8 h PHE 206 N 4.38 0.90 -0.31 -1.55 0.05 -1.79 -1.98 116.94 116.64 1iq8 h PHE 206 Ca 0.66 0.02 -0.04 0.00 3.82 0.00 0.00 57.97 62.43 1iq8 h PHE 206 Cb 0.36 -0.29 -0.02 0.00 2.00 0.00 0.00 35.95 38.00 1iq8 h PHE 206 CO 1.59 0.47 0.01 -0.09 -0.18 0.00 0.00 178.31 180.11 1iq8 h ARG 207 N 0.88 0.47 -0.07 1.51 2.43 -1.85 0.81 114.38 118.56 1iq8 h ARG 207 Ca 0.35 -0.09 -0.14 0.00 -0.81 0.00 0.00 59.98 59.29 1iq8 h ARG 207 Cb 0.24 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1iq8 h ARG 207 CO -0.13 0.49 -0.58 -0.44 -1.51 0.00 0.00 179.97 177.81 1iq8 h ASP 208 N 0.46 0.24 -0.32 -3.80 3.32 -1.77 -2.63 116.42 111.92 1iq8 h ASP 208 Ca 0.10 -0.13 -0.14 0.00 0.02 0.00 0.00 57.03 56.89 1iq8 h ASP 208 Cb 0.29 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1iq8 h ASP 208 CO 0.01 0.76 -0.30 0.58 -1.72 0.00 0.00 179.24 178.57 1iq8 h VAL 209 N 0.16 1.28 -0.64 -1.35 2.07 -0.83 -2.34 116.25 114.61 1iq8 h VAL 209 Ca -0.00 -1.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 1iq8 h VAL 209 Cb 1.06 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 1iq8 h VAL 209 CO 0.09 0.48 0.36 0.58 0.02 0.00 0.00 177.57 179.10 1iq8 h VAL 210 N 0.71 1.20 -0.23 2.57 2.07 -0.72 0.57 116.25 122.41 1iq8 h VAL 210 Ca 0.08 -0.49 -0.12 0.00 0.82 0.00 0.00 66.70 66.99 1iq8 h VAL 210 Cb 0.85 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1iq8 h VAL 210 CO 0.07 0.21 -0.38 0.44 0.02 0.00 0.00 177.57 177.94 1iq8 h ASP 211 N 0.87 0.54 -0.20 0.57 3.32 -1.37 -0.62 116.42 119.52 1iq8 h ASP 211 Ca 0.23 -0.23 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 1iq8 h ASP 211 Cb 0.03 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1iq8 h ASP 211 CO -0.04 0.87 -0.62 0.40 -1.72 0.00 0.00 179.24 178.13 1iq8 h ILE 212 N 0.43 1.28 -0.13 0.35 2.04 -1.17 -2.06 117.51 118.25 1iq8 h ILE 212 Ca 0.04 -1.82 -0.04 0.00 1.00 0.00 0.00 64.86 64.04 1iq8 h ILE 212 Cb 0.86 1.76 -0.00 0.00 -0.74 0.00 0.00 36.82 38.69 1iq8 h ILE 212 CO 0.07 0.59 -0.08 0.58 0.00 0.00 0.00 178.15 179.31 1iq8 h VAL 213 N 0.60 1.33 -0.25 1.67 2.07 -0.73 -2.06 116.25 118.88 1iq8 h VAL 213 Ca -0.01 -1.16 -0.10 0.00 0.82 0.00 0.00 66.70 66.25 1iq8 h VAL 213 Cb 1.23 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.81 1iq8 h VAL 213 CO 0.13 0.34 -0.27 0.40 0.02 0.00 0.00 177.57 178.19 1iq8 h ILE 214 N -0.08 1.27 -0.31 4.57 2.04 -1.18 0.67 117.51 124.49 1iq8 h ILE 214 Ca 0.03 -1.31 -0.07 0.00 1.00 0.00 0.00 64.86 64.50 1iq8 h ILE 214 Cb 0.57 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1iq8 h ILE 214 CO 0.02 0.42 -0.11 -1.28 0.00 0.00 0.00 178.15 177.20 1iq8 h SER 215 N 0.43 0.50 -0.05 1.72 0.87 -1.38 -1.63 113.55 114.02 1iq8 h SER 215 Ca 0.06 -0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.43 1iq8 h SER 215 Cb 0.70 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1iq8 h SER 215 CO 0.05 0.65 -0.21 0.28 -0.53 0.00 0.00 176.83 177.08 1iq8 h SER 216 N 0.48 0.26 0.22 6.23 0.02 -0.80 -3.29 113.55 116.68 1iq8 h SER 216 Ca 0.09 -0.65 -0.03 0.00 -0.84 0.00 0.00 61.79 60.36 1iq8 h SER 216 Cb 0.48 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 1iq8 h SER 216 CO 0.03 0.87 -0.13 0.11 -1.14 0.00 0.00 176.83 176.56 1iq8 h LYS 217 N -0.33 0.00 0.00 3.45 1.57 -0.71 -2.32 116.57 118.23 1iq8 h LYS 217 Ca -0.01 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1iq8 h LYS 217 Cb 0.86 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1iq8 h LYS 217 CO 0.04 0.13 -0.32 0.52 -0.57 0.00 0.00 179.45 179.26 1iq8 h MET 218 N 0.00 0.00 -0.01 3.15 2.86 -1.37 -3.16 114.93 116.40 1iq8 h MET 218 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1iq8 h MET 218 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1iq8 h MET 218 CO 0.02 0.32 -0.44 0.00 1.06 0.00 0.00 176.91 177.87 1iq8 n ALA 219 N -2.28 3.44 -2.53 6.32 0.00 -0.94 -4.99 120.51 119.53 1iq8 n ALA 219 Ca -0.00 -0.59 -0.32 0.00 0.00 0.00 0.00 53.44 52.53 1iq8 n ALA 219 Cb 0.47 -0.68 -0.05 0.00 0.00 0.00 0.00 19.45 19.19 1iq8 n ALA 219 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1iq8 s LEU 220 N -2.30 4.21 0.22 0.00 1.43 -0.92 -3.86 118.68 117.46 1iq8 s LEU 220 Ca 0.15 0.77 -0.31 0.00 -1.03 0.00 0.00 54.13 53.71 1iq8 s LEU 220 Cb 0.15 -3.51 -0.10 0.00 0.03 0.00 0.00 46.19 42.76 1iq8 s LEU 220 CO 0.51 -0.02 1.53 -0.13 0.23 0.00 0.00 176.35 178.46 1iq8 s ARG 221 N -2.76 4.22 0.58 1.70 0.52 -1.26 -4.88 118.95 117.08 1iq8 s ARG 221 Ca 0.44 2.37 0.36 0.00 -0.52 0.00 0.00 55.73 58.38 1iq8 s ARG 221 Cb -0.12 -3.12 1.75 0.00 0.52 0.00 0.00 34.95 33.98 1iq8 s ARG 221 CO 0.23 -0.54 2.14 -1.35 0.02 0.00 0.00 175.30 175.79 1iq8 h PRO 222 N 5.86 0.00 -0.29 3.54 0.11 -1.96 -3.20 132.00 136.06 1iq8 h PRO 222 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1iq8 h PRO 222 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1iq8 h PRO 222 CO 0.85 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 178.27 1iq8 n ASP 223 N -3.23 1.10 -4.37 -2.05 5.75 -1.26 -4.85 116.55 107.65 1iq8 n ASP 223 Ca -0.01 -2.03 -0.31 0.00 -0.01 0.00 0.00 54.79 52.42 1iq8 n ASP 223 Cb 0.21 -0.18 -0.15 0.00 -1.03 0.00 0.00 41.12 39.97 1iq8 n ASP 223 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1iq8 s ARG 224 N -1.71 2.06 0.48 0.11 0.52 -1.21 -4.81 118.95 114.39 1iq8 s ARG 224 Ca 0.12 -0.97 -0.24 0.00 -0.52 0.00 0.00 55.73 54.12 1iq8 s ARG 224 Cb 0.07 -2.09 -0.07 0.00 0.52 0.00 0.00 34.95 33.38 1iq8 s ARG 224 CO 0.07 0.55 1.39 -2.14 0.02 0.00 0.00 175.30 175.19 1iq8 s PRO 225 N -0.96 3.52 -0.07 3.54 0.02 -1.26 -4.83 135.00 134.96 1iq8 s PRO 225 Ca 0.11 2.32 0.02 0.00 0.02 0.00 0.00 61.00 63.48 1iq8 s PRO 225 Cb -0.10 -2.52 -0.02 0.00 0.02 0.00 0.00 34.50 31.88 1iq8 s PRO 225 CO 0.01 -0.92 -0.14 0.08 -0.33 0.00 0.00 177.00 175.70 1iq8 s VAL 226 N -1.25 3.06 -0.19 3.83 1.01 -1.26 -1.65 120.40 123.95 1iq8 s VAL 226 Ca 0.64 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.93 1iq8 s VAL 226 Cb -0.42 -2.22 0.03 0.00 0.00 0.00 0.00 36.38 33.77 1iq8 s VAL 226 CO 0.52 0.57 -0.15 -2.28 0.00 0.00 0.00 175.10 173.76 1iq8 s HIS 227 N -0.41 2.67 -0.89 5.22 5.04 -1.00 -0.82 115.29 125.10 1iq8 s HIS 227 Ca 0.05 -1.67 -0.21 0.00 -1.54 0.00 0.00 55.06 51.69 1iq8 s HIS 227 Cb -0.12 -1.80 0.10 0.00 0.04 0.00 0.00 32.58 30.79 1iq8 s HIS 227 CO 0.02 -0.78 1.18 -1.17 -2.34 0.00 0.00 174.74 171.65 1iq8 s LEU 228 N 1.32 4.50 0.04 8.88 2.96 -0.25 0.63 118.68 136.76 1iq8 s LEU 228 Ca 0.01 -1.65 -0.32 0.00 -0.22 0.00 0.00 54.13 51.95 1iq8 s LEU 228 Cb -0.15 -2.45 -0.11 0.00 0.50 0.00 0.00 46.19 43.99 1iq8 s LEU 228 CO -0.10 -1.27 1.87 0.33 -1.32 0.00 0.00 176.35 175.87 1iq8 n PHE 229 N 7.41 2.48 -0.10 5.38 7.35 -1.10 -1.83 117.46 137.04 1iq8 n PHE 229 Ca 0.20 -0.15 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 1iq8 n PHE 229 Cb 0.49 -2.72 0.00 0.00 0.35 0.00 0.00 39.48 37.60 1iq8 n PHE 229 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1iq8 n GLY 230 N 4.32 1.55 3.56 7.13 0.00 -1.26 -4.34 105.19 116.14 1iq8 n GLY 230 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1iq8 n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iq8 s ALA 231 N -2.67 2.45 -0.24 4.61 0.00 -0.76 -4.74 121.76 120.41 1iq8 s ALA 231 Ca 0.00 -2.02 0.13 0.00 0.00 0.00 0.00 51.96 50.07 1iq8 s ALA 231 Cb 0.00 -4.52 0.30 0.00 0.00 0.00 0.00 23.12 18.90 1iq8 s ALA 231 CO 0.00 -3.90 1.21 0.41 0.00 0.00 0.00 175.76 173.49 1iq8 n GLY 232 N 6.80 3.93 3.32 0.00 0.00 -1.01 -3.41 105.19 114.82 1iq8 n GLY 232 Ca 0.33 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 1iq8 n GLY 232 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1iq8 s HIS 233 N -2.19 2.79 0.47 1.61 2.46 -1.26 -4.68 115.29 114.49 1iq8 s HIS 233 Ca 0.27 -0.81 0.31 0.00 0.47 0.00 0.00 55.06 55.30 1iq8 s HIS 233 Cb 0.22 -1.86 1.40 0.00 -0.13 0.00 0.00 32.58 32.21 1iq8 s HIS 233 CO 0.06 -0.32 1.70 -1.35 -2.47 0.00 0.00 174.74 172.36 1iq8 h PRO 234 N 6.96 0.14 -0.69 2.88 0.11 -1.91 -2.44 132.00 137.04 1iq8 h PRO 234 Ca -0.28 -0.01 0.20 0.00 0.11 0.00 0.00 66.00 66.02 1iq8 h PRO 234 Cb 1.21 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1iq8 h PRO 234 CO 0.56 0.09 0.59 0.97 -0.21 0.00 0.00 178.00 179.99 1iq8 h ILE 235 N 0.14 0.45 -0.01 4.15 2.10 -1.77 -1.92 117.51 120.66 1iq8 h ILE 235 Ca 0.71 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.65 1iq8 h ILE 235 Cb 2.34 0.57 0.00 0.00 -1.09 0.00 0.00 36.82 38.64 1iq8 h ILE 235 CO -0.23 0.00 -0.71 1.33 -1.08 0.00 0.00 178.15 177.46 1iq8 n VAL 236 N -3.99 0.00 -0.02 2.19 0.24 -0.92 -4.73 118.33 111.11 1iq8 n VAL 236 Ca 0.14 -0.15 -0.12 0.00 -2.04 0.00 0.00 64.34 62.17 1iq8 n VAL 236 Cb 0.84 1.09 -0.06 0.00 -1.47 0.00 0.00 33.84 34.24 1iq8 n VAL 236 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 1iq8 h PHE 237 N 0.82 -1.24 -0.16 6.34 0.05 -1.50 -0.44 116.94 120.82 1iq8 h PHE 237 Ca 0.00 0.05 0.03 0.00 3.82 0.00 0.00 57.97 61.87 1iq8 h PHE 237 Cb 0.53 0.57 -0.03 0.00 2.00 0.00 0.00 35.95 39.02 1iq8 h PHE 237 CO 0.00 -0.48 -0.01 0.00 -0.18 0.00 0.00 178.31 177.64 1iq8 h ALA 238 N 0.12 0.13 -0.15 2.45 0.00 -1.85 0.24 119.26 120.21 1iq8 h ALA 238 Ca 0.08 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1iq8 h ALA 238 Cb 0.63 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1iq8 h ALA 238 CO -0.42 -0.45 0.02 1.25 0.00 0.00 0.00 179.25 179.64 1iq8 h LEU 239 N 0.04 -0.01 -0.59 0.00 5.85 -1.82 -1.34 115.31 117.43 1iq8 h LEU 239 Ca 0.07 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1iq8 h LEU 239 Cb 0.10 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1iq8 h LEU 239 CO -0.13 0.02 0.26 0.00 -0.34 0.00 0.00 178.44 178.24 1iq8 h ALA 240 N 1.11 0.76 -0.01 1.25 0.00 -0.87 -2.59 119.26 118.92 1iq8 h ALA 240 Ca 0.07 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1iq8 h ALA 240 Cb 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1iq8 h ALA 240 CO -0.09 0.35 -0.37 0.28 0.00 0.00 0.00 179.25 179.42 1iq8 h VAL 241 N 0.81 1.27 0.00 0.00 2.07 -0.79 -1.71 116.25 117.89 1iq8 h VAL 241 Ca 0.20 -1.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 1iq8 h VAL 241 Cb 0.16 1.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1iq8 h VAL 241 CO -0.02 0.36 -0.16 0.00 0.02 0.00 0.00 177.57 177.77 1iq8 h ALA 242 N 1.62 1.21 -0.01 1.67 0.00 -0.85 -2.01 119.26 120.89 1iq8 h ALA 242 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1iq8 h ALA 242 Cb 0.65 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1iq8 h ALA 242 CO 0.05 0.20 -0.11 -1.33 0.00 0.00 0.00 179.25 178.07 1iq8 n MET 243 N -3.59 1.29 0.00 0.00 2.81 -0.71 -1.69 117.12 115.23 1iq8 n MET 243 Ca -0.01 -0.73 0.00 0.00 -1.81 0.00 0.00 57.70 55.15 1iq8 n MET 243 Cb 0.30 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 1iq8 n MET 243 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1iq8 n GLY 244 N 1.24 1.09 3.73 3.03 0.00 -0.77 -4.81 105.19 108.70 1iq8 n GLY 244 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1iq8 n GLY 244 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iq8 s VAL 245 N -2.00 4.68 -0.08 1.61 1.01 -0.82 -4.58 120.40 120.22 1iq8 s VAL 245 Ca 0.00 1.87 0.12 0.00 0.00 0.00 0.00 61.98 63.97 1iq8 s VAL 245 Cb 0.00 -4.23 -0.17 0.00 0.00 0.00 0.00 36.38 31.98 1iq8 s VAL 245 CO 0.00 0.30 0.14 0.47 0.00 0.00 0.00 175.10 176.01 1iq8 n ASP 246 N 3.04 2.05 -4.15 3.32 8.00 -0.09 -4.33 116.55 124.40 1iq8 n ASP 246 Ca 0.01 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.31 1iq8 n ASP 246 Cb 0.50 1.11 -0.13 0.00 -0.02 0.00 0.00 41.12 42.58 1iq8 n ASP 246 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1iq8 s LEU 247 N -4.49 2.18 0.11 0.64 1.43 0.00 -1.58 118.68 116.97 1iq8 s LEU 247 Ca -0.05 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.59 1iq8 s LEU 247 Cb 0.05 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.62 1iq8 s LEU 247 CO 0.51 0.03 -0.06 -0.36 0.23 0.00 0.00 176.35 176.70 1iq8 s PHE 248 N -0.87 0.93 0.01 0.29 0.40 -0.69 -1.09 117.98 116.96 1iq8 s PHE 248 Ca 0.02 -0.93 -0.01 0.00 -0.60 0.00 0.00 56.93 55.41 1iq8 s PHE 248 Cb -0.08 -0.54 -0.01 0.00 0.51 0.00 0.00 43.02 42.90 1iq8 s PHE 248 CO 0.01 -0.16 -0.00 0.16 0.70 0.00 0.00 175.22 175.93 1iq8 s ASP 249 N -3.06 0.16 -0.09 1.36 1.47 -1.22 0.05 116.67 115.35 1iq8 s ASP 249 Ca 0.13 -0.36 -0.04 0.00 1.18 0.00 0.00 52.55 53.47 1iq8 s ASP 249 Cb 0.05 0.10 0.05 0.00 -0.34 0.00 0.00 42.92 42.78 1iq8 s ASP 249 CO -0.04 -0.25 0.18 -0.55 0.68 0.00 0.00 175.17 175.20 1iq8 s SER 250 N -1.15 0.24 -0.01 2.11 0.15 -0.64 -2.41 113.70 111.99 1iq8 s SER 250 Ca -0.13 0.38 0.12 0.00 0.70 0.00 0.00 55.95 57.02 1iq8 s SER 250 Cb -0.08 0.32 -0.16 0.00 -1.71 0.00 0.00 66.02 64.39 1iq8 s SER 250 CO -0.01 -0.20 0.36 0.00 1.20 0.00 0.00 173.24 174.60 1iq8 n ALA 251 N 4.77 2.90 0.05 5.45 0.00 -1.26 -0.20 120.51 132.21 1iq8 n ALA 251 Ca -0.16 -0.30 0.08 0.00 0.00 0.00 0.00 53.44 53.06 1iq8 n ALA 251 Cb 0.51 -0.41 0.51 0.00 0.00 0.00 0.00 19.45 20.06 1iq8 n ALA 251 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1iq8 h SER 252 N 0.00 0.30 -0.98 0.00 0.02 -1.92 -1.48 113.55 109.49 1iq8 h SER 252 Ca 0.00 -0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.99 1iq8 h SER 252 Cb 0.43 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.84 1iq8 h SER 252 CO 0.00 0.21 0.64 0.10 -1.14 0.00 0.00 176.83 176.64 1iq8 h TYR 253 N 0.35 1.19 0.09 3.45 -0.00 -1.83 0.12 116.97 120.34 1iq8 h TYR 253 Ca 0.15 0.03 -0.18 0.00 0.00 0.00 0.00 58.73 58.73 1iq8 h TYR 253 Cb 0.16 -0.40 0.00 0.00 0.00 0.00 0.00 36.73 36.50 1iq8 h TYR 253 CO -0.00 0.66 -0.89 0.00 -0.00 0.00 0.00 178.16 177.93 1iq8 h ALA 254 N 1.42 0.06 -0.61 0.10 0.00 -1.74 -3.12 119.26 115.36 1iq8 h ALA 254 Ca 0.40 -0.84 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 1iq8 h ALA 254 Cb 0.07 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1iq8 h ALA 254 CO -0.14 0.48 0.19 -0.07 0.00 0.00 0.00 179.25 179.70 1iq8 h LEU 255 N -0.56 0.85 -0.30 0.00 3.38 -1.22 -0.98 115.31 116.48 1iq8 h LEU 255 Ca -0.19 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 1iq8 h LEU 255 Cb 1.50 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1iq8 h LEU 255 CO 0.05 0.80 -0.07 1.88 0.09 0.00 0.00 178.44 181.19 1iq8 h TYR 256 N 0.89 0.64 -0.81 1.13 0.99 -0.91 -2.75 116.97 116.15 1iq8 h TYR 256 Ca 0.20 -0.14 0.09 0.00 2.00 0.00 0.00 58.73 60.88 1iq8 h TYR 256 Cb 0.26 -0.16 -0.07 0.00 1.00 0.00 0.00 36.73 37.77 1iq8 h TYR 256 CO 0.02 0.76 0.47 0.00 -0.00 0.00 0.00 178.16 179.40 1iq8 h ALA 257 N 0.79 1.14 0.00 3.88 0.00 -1.40 0.24 119.26 123.91 1iq8 h ALA 257 Ca 0.08 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1iq8 h ALA 257 Cb 0.55 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1iq8 h ALA 257 CO 0.03 0.12 -0.11 0.87 0.00 0.00 0.00 179.25 180.16 1iq8 h LYS 258 N 0.80 0.00 -0.64 0.00 1.57 -1.02 -1.55 116.57 115.74 1iq8 h LYS 258 Ca 0.38 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.94 1iq8 h LYS 258 Cb 0.31 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.49 1iq8 h LYS 258 CO -0.23 0.11 0.23 -0.25 -0.57 0.00 0.00 179.45 178.73 1iq8 n ASP 259 N -3.54 4.11 -3.89 0.86 8.00 0.03 -4.94 116.55 117.18 1iq8 n ASP 259 Ca -0.02 -3.35 -0.27 0.00 0.71 0.00 0.00 54.79 51.86 1iq8 n ASP 259 Cb 0.24 -0.71 0.01 0.00 -0.02 0.00 0.00 41.12 40.65 1iq8 n ASP 259 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1iq8 n ASP 260 N -0.54 -2.69 -4.52 -2.24 8.00 -0.58 -4.92 116.55 109.06 1iq8 n ASP 260 Ca 0.40 -0.86 -0.32 0.00 0.71 0.00 0.00 54.79 54.72 1iq8 n ASP 260 Cb 1.30 -3.67 -0.12 0.00 -0.02 0.00 0.00 41.12 38.61 1iq8 n ASP 260 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1iq8 s ARG 261 N -6.44 2.43 -0.18 -1.24 0.52 0.62 -1.75 118.95 112.91 1iq8 s ARG 261 Ca 0.35 -0.76 0.00 0.00 -0.52 0.00 0.00 55.73 54.79 1iq8 s ARG 261 Cb -0.18 -2.39 0.01 0.00 0.52 0.00 0.00 34.95 32.92 1iq8 s ARG 261 CO 0.85 0.60 -0.17 -0.47 0.02 0.00 0.00 175.30 176.13 1iq8 s TYR 262 N -0.87 2.80 0.35 -0.53 5.04 0.12 -3.85 117.35 120.41 1iq8 s TYR 262 Ca 0.14 -1.44 -0.21 0.00 -2.44 0.00 0.00 57.07 53.12 1iq8 s TYR 262 Cb -0.11 -1.94 -0.10 0.00 0.35 0.00 0.00 41.96 40.16 1iq8 s TYR 262 CO 0.04 -0.71 0.88 -1.64 -1.34 0.00 0.00 175.55 172.77 1iq8 s MET 263 N 1.24 4.29 0.07 4.97 -1.94 -1.26 -0.95 119.30 125.72 1iq8 s MET 263 Ca 0.03 1.06 -0.02 0.00 -1.71 0.00 0.00 55.69 55.05 1iq8 s MET 263 Cb -0.14 -2.50 -0.04 0.00 2.01 0.00 0.00 34.83 34.16 1iq8 s MET 263 CO -0.09 0.15 0.01 0.99 -0.01 0.00 0.00 175.02 176.07 1iq8 s THR 264 N -1.89 0.19 -0.25 2.05 2.01 -0.12 -4.90 115.64 112.74 1iq8 s THR 264 Ca 0.54 -1.76 0.28 0.00 0.31 0.00 0.00 61.69 61.06 1iq8 s THR 264 Cb -0.13 -1.59 0.31 0.00 0.01 0.00 0.00 72.50 71.09 1iq8 s THR 264 CO 0.18 -0.87 1.82 -0.65 -0.69 0.00 0.00 174.62 174.42 1iq8 h PRO 265 N 3.05 0.00 -0.02 4.92 0.11 -1.93 -2.87 132.00 135.26 1iq8 h PRO 265 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1iq8 h PRO 265 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1iq8 h PRO 265 CO 0.64 0.00 -0.27 0.39 -0.21 0.00 0.00 178.00 178.55 1iq8 n GLU 266 N -2.58 1.65 -0.39 1.05 4.71 -1.26 -3.67 120.64 120.15 1iq8 n GLU 266 Ca 0.02 -1.35 0.00 0.00 -0.01 0.00 0.00 57.16 55.82 1iq8 n GLU 266 Cb 0.26 -1.47 0.00 0.00 -1.01 0.00 0.00 31.44 29.22 1iq8 n GLU 266 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1iq8 n GLY 267 N 1.38 0.22 3.14 0.62 0.00 -1.08 -4.75 105.19 104.72 1iq8 n GLY 267 Ca 0.11 -1.30 -0.22 0.00 0.00 0.00 0.00 46.02 44.62 1iq8 n GLY 267 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iq8 s THR 268 N -3.78 1.17 0.09 2.61 2.01 -1.26 -0.94 115.64 115.54 1iq8 s THR 268 Ca 0.00 -0.85 0.08 0.00 0.31 0.00 0.00 61.69 61.23 1iq8 s THR 268 Cb 0.00 -1.02 -0.03 0.00 0.01 0.00 0.00 72.50 71.46 1iq8 s THR 268 CO 0.00 0.16 -0.20 -0.54 -0.69 0.00 0.00 174.62 173.34 1iq8 s LYS 269 N -0.79 1.13 0.21 4.92 3.01 -0.13 -4.96 119.74 123.12 1iq8 s LYS 269 Ca 0.04 -1.13 -0.20 0.00 -1.01 0.00 0.00 55.97 53.67 1iq8 s LYS 269 Cb -0.07 -1.37 -0.08 0.00 -1.01 0.00 0.00 37.83 35.31 1iq8 s LYS 269 CO 0.01 0.32 0.71 1.03 0.51 0.00 0.00 175.35 177.92 1iq8 s ARG 270 N -1.83 4.26 0.38 1.68 0.52 -1.26 0.12 118.95 122.82 1iq8 s ARG 270 Ca 0.06 0.86 0.09 0.00 -0.52 0.00 0.00 55.73 56.22 1iq8 s ARG 270 Cb -0.10 -2.93 0.85 0.00 0.52 0.00 0.00 34.95 33.29 1iq8 s ARG 270 CO 0.04 0.43 1.93 1.25 0.02 0.00 0.00 175.30 178.97 1iq8 h LEU 271 N 3.55 0.58 -0.09 2.53 5.85 -1.70 -0.12 115.31 125.92 1iq8 h LEU 271 Ca -0.48 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1iq8 h LEU 271 Cb 1.20 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1iq8 h LEU 271 CO 0.65 0.34 0.00 -0.90 -0.34 0.00 0.00 178.44 178.19 1iq8 n ASP 272 N -4.50 0.11 -0.86 1.25 5.75 -1.26 -2.14 116.55 114.90 1iq8 n ASP 272 Ca 0.13 0.52 0.09 0.00 -0.01 0.00 0.00 54.79 55.52 1iq8 n ASP 272 Cb 0.35 -0.55 0.15 0.00 -1.03 0.00 0.00 41.12 40.04 1iq8 n ASP 272 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1iq8 n GLU 273 N -1.62 2.05 -3.76 0.11 0.28 -0.07 -4.95 120.64 112.69 1iq8 n GLU 273 Ca 0.04 -1.93 -0.35 0.00 -0.16 0.00 0.00 57.16 54.76 1iq8 n GLU 273 Cb 0.22 -1.39 -0.08 0.00 1.43 0.00 0.00 31.44 31.62 1iq8 n GLU 273 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1iq8 s LEU 274 N -1.31 4.14 -0.07 -1.84 1.43 -0.91 -4.93 118.68 115.20 1iq8 s LEU 274 Ca 0.28 0.19 0.13 0.00 -1.03 0.00 0.00 54.13 53.71 1iq8 s LEU 274 Cb 0.17 -2.07 -0.20 0.00 0.03 0.00 0.00 46.19 44.12 1iq8 s LEU 274 CO 0.24 0.16 0.19 0.47 0.23 0.00 0.00 176.35 177.64 1iq8 n ASP 275 N 3.64 1.69 -3.98 2.29 10.43 -1.26 -4.69 116.55 124.68 1iq8 n ASP 275 Ca -0.16 0.00 -0.09 0.00 2.57 0.00 0.00 54.79 57.11 1iq8 n ASP 275 Cb 0.52 1.28 -0.10 0.00 1.84 0.00 0.00 41.12 44.66 1iq8 n ASP 275 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1iq8 s TYR 276 N -2.69 0.29 -0.42 1.24 1.51 -1.26 -4.72 117.35 111.31 1iq8 s TYR 276 Ca -0.06 -0.65 -0.15 0.00 -1.01 0.00 0.00 57.07 55.19 1iq8 s TYR 276 Cb 0.07 -0.21 0.02 0.00 -0.11 0.00 0.00 41.96 41.73 1iq8 s TYR 276 CO 0.58 -0.34 0.32 -0.06 -1.11 0.00 0.00 175.55 174.94 1iq8 s PHE 277 N -2.76 3.23 -1.51 2.71 0.08 -1.26 -4.92 117.98 113.55 1iq8 s PHE 277 Ca -0.04 -0.60 -0.10 0.00 0.12 0.00 0.00 56.93 56.31 1iq8 s PHE 277 Cb -0.00 -2.67 -0.00 0.00 -0.57 0.00 0.00 43.02 39.77 1iq8 s PHE 277 CO -0.05 -0.62 2.62 -0.35 -0.10 0.00 0.00 175.22 176.72 1iq8 n PRO 278 N 5.21 3.68 -3.46 0.24 -0.04 -1.26 -4.79 135.00 134.58 1iq8 n PRO 278 Ca -0.11 -2.62 -0.14 0.00 -0.04 0.00 0.00 63.50 60.59 1iq8 n PRO 278 Cb 0.47 -2.88 -0.03 0.00 -0.04 0.00 0.00 33.50 31.01 1iq8 n PRO 278 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1iq8 n SER 280 N 0.09 1.80 -4.57 0.00 7.64 -1.26 -4.44 113.62 112.88 1iq8 n SER 280 Ca -0.17 -2.14 -0.28 0.00 1.01 0.00 0.00 58.87 57.28 1iq8 n SER 280 Cb 0.62 -0.10 0.22 0.00 -1.01 0.00 0.00 64.21 63.94 1iq8 n SER 280 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iq8 h PRO 282 N -2.32 0.09 0.00 0.00 0.11 -1.98 0.48 132.00 128.38 1iq8 h PRO 282 Ca -0.58 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.52 1iq8 h PRO 282 Cb 1.33 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 1iq8 h PRO 282 CO 0.53 0.06 -0.07 0.28 -0.21 0.00 0.00 178.00 178.59 1iq8 h VAL 283 N 0.09 0.25 0.00 3.15 2.07 -1.92 -3.36 116.25 116.53 1iq8 h VAL 283 Ca 0.76 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1iq8 h VAL 283 Cb 2.63 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 1iq8 h VAL 283 CO -0.23 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.44 1iq8 n SER 285 N -3.02 0.59 -0.01 0.00 3.41 0.16 -4.16 113.62 110.59 1iq8 n SER 285 Ca -0.00 0.52 -0.02 0.00 -0.26 0.00 0.00 58.87 59.11 1iq8 n SER 285 Cb 0.23 -0.66 -0.02 0.00 -0.26 0.00 0.00 64.21 63.51 1iq8 n SER 285 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1iq8 n LYS 286 N -2.05 2.09 -3.53 4.33 2.85 -0.93 -5.08 118.16 115.84 1iq8 n LYS 286 Ca 0.06 0.01 -0.20 0.00 -1.05 0.00 0.00 58.31 57.12 1iq8 n LYS 286 Cb 0.41 -1.06 -0.02 0.00 -0.65 0.00 0.00 35.03 33.70 1iq8 n LYS 286 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1iq8 s TYR 287 N -2.06 2.81 0.23 5.58 1.51 -0.26 -5.13 117.35 120.02 1iq8 s TYR 287 Ca -0.03 -0.40 0.10 0.00 -1.01 0.00 0.00 57.07 55.73 1iq8 s TYR 287 Cb 0.01 -2.09 -0.05 0.00 -0.11 0.00 0.00 41.96 39.72 1iq8 s TYR 287 CO 0.09 -0.08 -0.17 -0.08 -1.11 0.00 0.00 175.55 174.20 1iq8 s THR 288 N -2.38 2.06 0.18 -0.71 -1.32 -1.26 -4.66 115.64 107.55 1iq8 s THR 288 Ca 0.47 -2.27 -0.13 0.00 -1.21 0.00 0.00 61.69 58.55 1iq8 s THR 288 Cb -0.06 -2.14 0.08 0.00 -1.51 0.00 0.00 72.50 68.88 1iq8 s THR 288 CO 0.29 -0.49 1.81 -0.65 -2.21 0.00 0.00 174.62 173.37 1iq8 h PRO 289 N 2.50 0.61 0.00 7.08 0.11 -1.87 -1.73 132.00 138.70 1iq8 h PRO 289 Ca -0.39 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1iq8 h PRO 289 Cb 1.24 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1iq8 h PRO 289 CO 0.60 0.40 0.00 0.00 -0.21 0.00 0.00 178.00 178.79 1iq8 n GLN 290 N -4.79 0.15 -0.07 1.05 0.00 -1.26 -1.81 117.38 110.64 1iq8 n GLN 290 Ca 0.04 0.44 -0.08 0.00 0.00 0.00 0.00 57.00 57.40 1iq8 n GLN 290 Cb 0.09 -1.82 -0.05 0.00 0.00 0.00 0.00 30.24 28.47 1iq8 n GLN 290 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1iq8 h GLU 291 N 0.00 0.00 -0.84 2.61 5.08 -1.76 -3.37 114.58 116.30 1iq8 h GLU 291 Ca 0.00 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.52 1iq8 h GLU 291 Cb 0.27 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.42 1iq8 h GLU 291 CO 0.00 0.38 0.39 -0.07 -1.00 0.00 0.00 179.01 178.71 1iq8 h LEU 292 N -1.00 0.41 -2.44 1.33 -0.00 -1.18 -0.52 115.31 111.92 1iq8 h LEU 292 Ca -0.06 0.11 0.02 0.00 -0.00 0.00 0.00 57.88 57.95 1iq8 h LEU 292 Cb 0.58 0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 41.30 1iq8 h LEU 292 CO -0.04 0.13 0.16 -0.09 -0.00 0.00 0.00 178.44 178.60 1iq8 h ARG 293 N 0.52 0.00 -0.01 1.13 2.43 -1.54 -1.87 114.38 115.04 1iq8 h ARG 293 Ca 0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.65 1iq8 h ARG 293 Cb 0.75 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1iq8 h ARG 293 CO -0.42 0.00 -0.40 -1.91 -1.51 0.00 0.00 179.97 175.73 1iq8 n GLU 294 N -3.35 1.69 -1.84 0.20 4.07 -0.22 -5.01 120.64 116.19 1iq8 n GLU 294 Ca -0.01 -0.68 -0.29 0.00 -0.06 0.00 0.00 57.16 56.11 1iq8 n GLU 294 Cb 0.24 -1.27 0.08 0.00 -0.06 0.00 0.00 31.44 30.43 1iq8 n GLU 294 CO 0.00 0.00 0.00 -1.64 -0.06 0.00 0.00 177.13 175.43 1iq8 s MET 295 N -2.01 2.15 0.48 5.31 -1.94 -0.71 -5.01 119.30 117.57 1iq8 s MET 295 Ca 0.12 0.26 -0.24 0.00 -1.71 0.00 0.00 55.69 54.12 1iq8 s MET 295 Cb 0.13 -1.96 -0.07 0.00 2.01 0.00 0.00 34.83 34.94 1iq8 s MET 295 CO 0.45 -1.49 1.39 -2.14 -0.01 0.00 0.00 175.02 173.22 1iq8 s PRO 296 N -5.46 3.53 0.19 2.03 0.02 -1.26 -4.72 135.00 129.33 1iq8 s PRO 296 Ca 0.61 2.33 -0.22 0.00 0.02 0.00 0.00 61.00 63.73 1iq8 s PRO 296 Cb -0.12 -2.53 0.11 0.00 0.02 0.00 0.00 34.50 31.98 1iq8 s PRO 296 CO 0.51 -0.91 1.57 -0.22 -0.33 0.00 0.00 177.00 177.62 1iq8 h LYS 297 N 2.07 -0.13 -0.68 5.54 3.11 -1.95 0.12 116.57 124.64 1iq8 h LYS 297 Ca -0.51 0.01 0.07 0.00 -2.81 0.00 0.00 60.65 57.41 1iq8 h LYS 297 Cb 1.27 0.03 -0.04 0.00 -1.00 0.00 0.00 32.23 32.49 1iq8 h LYS 297 CO 0.60 -0.09 0.45 1.49 -2.81 0.00 0.00 179.45 179.09 1iq8 h GLU 298 N -0.14 0.64 0.00 1.90 4.81 -1.99 0.17 114.58 119.97 1iq8 h GLU 298 Ca 0.24 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.25 1iq8 h GLU 298 Cb 0.56 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.81 1iq8 h GLU 298 CO -0.78 0.42 -0.68 1.49 -0.73 0.00 0.00 179.01 178.73 1iq8 h GLU 299 N 0.66 0.46 -0.38 1.92 4.57 -1.42 -2.16 114.58 118.23 1iq8 h GLU 299 Ca 0.30 -0.50 0.02 0.00 -1.18 0.00 0.00 59.36 58.00 1iq8 h GLU 299 Cb 0.32 0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 1iq8 h GLU 299 CO -0.10 1.15 0.22 -0.09 -1.18 0.00 0.00 179.01 179.01 1iq8 h ARG 300 N -0.03 0.44 -0.41 1.92 2.43 -0.36 0.03 114.38 118.40 1iq8 h ARG 300 Ca -0.09 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1iq8 h ARG 300 Cb 1.39 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.82 1iq8 h ARG 300 CO 0.13 0.29 0.24 1.15 -1.51 0.00 0.00 179.97 180.27 1iq8 h THR 301 N 0.45 1.14 0.11 0.20 2.02 -0.74 -0.85 112.91 115.26 1iq8 h THR 301 Ca 0.15 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 66.99 1iq8 h THR 301 Cb 0.00 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1iq8 h THR 301 CO -0.07 0.15 -0.13 -0.09 0.37 0.00 0.00 175.52 175.75 1iq8 h ARG 302 N 0.54 -0.26 -0.50 6.66 1.12 -1.00 -0.83 114.38 120.10 1iq8 h ARG 302 Ca 0.15 0.02 -0.11 0.00 -1.11 0.00 0.00 59.98 58.92 1iq8 h ARG 302 Cb 0.03 0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 30.03 1iq8 h ARG 302 CO -0.03 -0.18 -0.14 -0.07 -3.11 0.00 0.00 179.97 176.44 1iq8 h LEU 303 N -0.27 0.96 -0.66 3.80 3.38 -0.89 -1.62 115.31 120.00 1iq8 h LEU 303 Ca 0.01 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 1iq8 h LEU 303 Cb 0.27 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1iq8 h LEU 303 CO -0.05 1.09 0.14 -0.07 0.09 0.00 0.00 178.44 179.65 1iq8 h LEU 304 N 0.84 1.03 -0.36 1.67 3.38 -1.06 -0.09 115.31 120.72 1iq8 h LEU 304 Ca 0.13 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1iq8 h LEU 304 Cb 0.69 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1iq8 h LEU 304 CO 0.05 1.01 0.14 0.00 0.09 0.00 0.00 178.44 179.73 1iq8 h ALA 305 N 1.06 0.46 -0.30 1.53 0.00 -1.02 0.23 119.26 121.22 1iq8 h ALA 305 Ca 0.21 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1iq8 h ALA 305 Cb 0.40 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1iq8 h ALA 305 CO 0.01 0.07 0.17 -0.07 0.00 0.00 0.00 179.25 179.43 1iq8 h LEU 306 N 0.43 0.36 -0.29 0.00 3.38 -1.09 -0.33 115.31 117.77 1iq8 h LEU 306 Ca 0.12 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1iq8 h LEU 306 Cb 0.20 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1iq8 h LEU 306 CO -0.01 0.32 0.04 -0.74 0.09 0.00 0.00 178.44 178.15 1iq8 h HIS 307 N 0.37 0.07 -0.75 1.13 -0.00 -0.70 -0.35 115.15 114.92 1iq8 h HIS 307 Ca 0.10 0.02 0.09 0.00 -0.00 0.00 0.00 60.37 60.59 1iq8 h HIS 307 Cb 0.04 0.01 -0.07 0.00 -0.00 0.00 0.00 27.41 27.39 1iq8 h HIS 307 CO -0.04 0.00 0.40 -0.91 -0.00 0.00 0.00 177.93 177.38 1iq8 h ASN 308 N 0.14 0.54 -0.73 3.26 2.35 -0.11 -0.91 115.58 120.12 1iq8 h ASN 308 Ca 0.14 0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.90 1iq8 h ASN 308 Cb 0.16 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 1iq8 h ASN 308 CO -0.19 0.31 0.31 -0.07 -1.65 0.00 0.00 177.43 176.14 1iq8 h LEU 309 N 0.67 1.01 -0.65 1.61 3.38 -0.18 -1.20 115.31 119.95 1iq8 h LEU 309 Ca 0.37 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 58.08 1iq8 h LEU 309 Cb 0.36 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1iq8 h LEU 309 CO -0.26 0.88 -0.22 -0.50 0.09 0.00 0.00 178.44 178.43 1iq8 h TRP 310 N 1.08 0.93 -0.50 1.13 4.06 -0.05 0.06 115.95 122.66 1iq8 h TRP 310 Ca 0.25 -0.22 -0.12 0.00 2.06 0.00 0.00 58.89 60.87 1iq8 h TRP 310 Cb 0.18 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.10 1iq8 h TRP 310 CO 0.02 0.96 -0.16 0.28 -3.56 0.00 0.00 178.44 175.98 1iq8 h VAL 311 N 0.71 1.27 -0.13 1.49 2.07 -0.98 0.38 116.25 121.06 1iq8 h VAL 311 Ca 0.10 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.30 1iq8 h VAL 311 Cb 0.75 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1iq8 h VAL 311 CO 0.06 0.46 0.07 0.40 0.02 0.00 0.00 177.57 178.58 1iq8 h ILE 312 N 0.86 1.08 -0.93 4.57 2.04 -1.03 -0.69 117.51 123.41 1iq8 h ILE 312 Ca 0.12 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1iq8 h ILE 312 Cb 0.73 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.75 1iq8 h ILE 312 CO 0.06 0.07 0.57 0.50 0.00 0.00 0.00 178.15 179.35 1iq8 h LYS 313 N 0.13 1.26 -0.39 2.37 3.64 -0.76 -2.51 116.57 120.30 1iq8 h LYS 313 Ca 0.05 -0.11 -0.14 0.00 -1.27 0.00 0.00 60.65 59.18 1iq8 h LYS 313 Cb 0.05 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 1iq8 h LYS 313 CO -0.01 0.87 -0.29 1.49 -2.27 0.00 0.00 179.45 179.25 1iq8 h GLU 314 N 1.28 0.89 -0.64 1.90 4.81 -0.64 -2.18 114.58 120.01 1iq8 h GLU 314 Ca 0.34 -0.43 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 1iq8 h GLU 314 Cb -0.07 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1iq8 h GLU 314 CO -0.06 1.08 0.24 0.93 -0.73 0.00 0.00 179.01 180.47 1iq8 h GLU 315 N 0.71 0.96 -0.59 1.92 4.39 -0.90 0.99 114.58 122.06 1iq8 h GLU 315 Ca 0.08 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 1iq8 h GLU 315 Cb 0.87 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.34 1iq8 h GLU 315 CO 0.08 0.82 0.26 0.82 -1.16 0.00 0.00 179.01 179.82 1iq8 h ILE 316 N 0.90 1.22 -0.25 3.13 1.08 -1.41 0.11 117.51 122.28 1iq8 h ILE 316 Ca 0.21 -0.66 -0.07 0.00 -0.39 0.00 0.00 64.86 63.95 1iq8 h ILE 316 Cb 0.23 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 34.51 1iq8 h ILE 316 CO -0.01 0.26 -0.14 0.11 -0.69 0.00 0.00 178.15 177.67 1iq8 h LYS 317 N 0.81 0.43 -0.45 2.37 1.57 -1.04 -0.59 116.57 119.67 1iq8 h LYS 317 Ca 0.20 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 1iq8 h LYS 317 Cb 0.16 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1iq8 h LYS 317 CO -0.02 0.57 -0.14 -0.09 -0.57 0.00 0.00 179.45 179.20 1iq8 h ARG 318 N 0.40 0.89 -0.49 3.15 2.43 -0.11 -1.25 114.38 119.41 1iq8 h ARG 318 Ca 0.07 -0.36 -0.07 0.00 -0.81 0.00 0.00 59.98 58.82 1iq8 h ARG 318 Cb 0.49 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1iq8 h ARG 318 CO 0.03 1.00 0.03 0.28 -1.51 0.00 0.00 179.97 179.80 1iq8 h VAL 319 N 0.73 1.26 -0.23 0.20 2.07 -0.41 -1.99 116.25 117.89 1iq8 h VAL 319 Ca 0.11 -1.02 -0.10 0.00 0.82 0.00 0.00 66.70 66.51 1iq8 h VAL 319 Cb 0.69 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1iq8 h VAL 319 CO 0.05 0.36 -0.28 0.11 0.02 0.00 0.00 177.57 177.83 1iq8 h LYS 320 N 0.72 0.45 -0.08 1.57 1.57 -0.99 -1.80 116.57 118.00 1iq8 h LYS 320 Ca 0.14 -0.18 -0.15 0.00 -1.87 0.00 0.00 60.65 58.60 1iq8 h LYS 320 Cb 0.47 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1iq8 h LYS 320 CO 0.02 0.69 -0.60 0.37 -0.57 0.00 0.00 179.45 179.36 1iq8 h GLN 321 N 0.40 0.28 -0.27 3.15 5.75 -1.09 -2.09 115.11 121.24 1iq8 h GLN 321 Ca 0.05 -0.19 -0.12 0.00 -0.15 0.00 0.00 58.65 58.24 1iq8 h GLN 321 Cb 0.70 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.26 1iq8 h GLN 321 CO 0.05 0.80 -0.35 0.00 -2.65 0.00 0.00 178.83 176.68 1iq8 h ALA 322 N 1.16 0.89 -0.36 3.38 0.00 -1.08 -2.42 119.26 120.82 1iq8 h ALA 322 Ca -0.01 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 1iq8 h ALA 322 Cb 1.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1iq8 h ALA 322 CO 0.10 0.63 0.07 0.82 0.00 0.00 0.00 179.25 180.86 1iq8 h ILE 323 N 0.50 1.24 -0.97 0.00 2.04 -1.17 0.42 117.51 119.58 1iq8 h ILE 323 Ca 0.05 -0.83 0.06 0.00 1.00 0.00 0.00 64.86 65.15 1iq8 h ILE 323 Cb 0.84 1.07 -0.06 0.00 -0.74 0.00 0.00 36.82 37.93 1iq8 h ILE 323 CO 0.07 0.28 0.63 0.50 0.00 0.00 0.00 178.15 179.63 1iq8 h LYS 324 N 0.44 1.10 -0.02 2.37 1.63 -1.17 -1.81 116.57 119.11 1iq8 h LYS 324 Ca 0.11 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1iq8 h LYS 324 Cb 0.35 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1iq8 h LYS 324 CO 0.01 0.73 -0.05 -0.85 -3.45 0.00 0.00 179.45 175.83 1iq8 n GLU 325 N -4.49 1.90 -2.71 1.90 0.28 -0.93 -4.85 120.64 111.74 1iq8 n GLU 325 Ca 0.15 -1.40 -0.06 0.00 -0.16 0.00 0.00 57.16 55.68 1iq8 n GLU 325 Cb 0.18 -1.47 0.02 0.00 1.43 0.00 0.00 31.44 31.60 1iq8 n GLU 325 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1iq8 n GLY 326 N 1.29 0.46 0.94 -1.84 0.00 0.09 -1.47 105.19 104.65 1iq8 n GLY 326 Ca 0.16 -0.39 0.05 0.00 0.00 0.00 0.00 46.02 45.83 1iq8 n GLY 326 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1iq8 n GLU 327 N -1.79 0.66 -0.25 1.61 1.02 0.13 -4.58 120.64 117.43 1iq8 n GLU 327 Ca -0.02 -2.38 -0.05 0.00 -0.02 0.00 0.00 57.16 54.69 1iq8 n GLU 327 Cb 0.52 -0.75 0.05 0.00 -0.02 0.00 0.00 31.44 31.25 1iq8 n GLU 327 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1iq8 h LEU 328 N 0.79 0.83 -1.35 -4.62 6.46 -1.90 -2.26 115.31 113.26 1iq8 h LEU 328 Ca -0.10 -0.05 0.06 0.00 -0.12 0.00 0.00 57.88 57.67 1iq8 h LEU 328 Cb 1.45 -0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 41.12 1iq8 h LEU 328 CO 0.04 0.64 0.48 -0.50 -0.62 0.00 0.00 178.44 178.48 1iq8 h TRP 329 N 0.96 0.80 -0.48 1.25 4.06 -1.93 0.02 115.95 120.62 1iq8 h TRP 329 Ca 0.25 0.02 -0.06 0.00 2.06 0.00 0.00 58.89 61.16 1iq8 h TRP 329 Cb -0.05 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 27.82 1iq8 h TRP 329 CO -0.02 0.43 0.05 -0.09 -3.56 0.00 0.00 178.44 175.25 1iq8 h ARG 330 N 0.79 0.82 -0.41 0.49 2.43 -1.80 -0.15 114.38 116.55 1iq8 h ARG 330 Ca 0.31 -0.24 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1iq8 h ARG 330 Cb 0.22 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1iq8 h ARG 330 CO -0.10 0.84 0.09 1.25 -1.51 0.00 0.00 179.97 180.54 1iq8 h LEU 331 N 0.69 0.64 -0.45 3.80 5.85 -0.90 -0.71 115.31 124.23 1iq8 h LEU 331 Ca 0.14 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.65 1iq8 h LEU 331 Cb 0.43 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1iq8 h LEU 331 CO 0.01 0.71 0.26 0.58 -0.34 0.00 0.00 178.44 179.67 1iq8 h VAL 332 N 0.53 1.04 -0.57 1.05 2.07 -0.81 0.30 116.25 119.86 1iq8 h VAL 332 Ca 0.13 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.50 1iq8 h VAL 332 Cb 0.33 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1iq8 h VAL 332 CO 0.00 0.10 0.33 -0.78 0.02 0.00 0.00 177.57 177.24 1iq8 h ASP 333 N 0.52 0.52 -0.16 0.57 1.82 -0.78 0.19 116.42 119.09 1iq8 h ASP 333 Ca 0.18 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.83 1iq8 h ASP 333 Cb 0.02 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 39.93 1iq8 h ASP 333 CO -0.09 0.36 0.10 -0.08 -1.61 0.00 0.00 179.24 177.92 1iq8 h GLU 334 N 0.64 0.22 0.00 0.28 4.81 -0.13 -2.87 114.58 117.53 1iq8 h GLU 334 Ca 0.24 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.37 1iq8 h GLU 334 Cb 0.07 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1iq8 h GLU 334 CO -0.13 0.17 -0.40 0.00 -0.73 0.00 0.00 179.01 177.93 1iq8 h ARG 335 N 0.20 0.00 0.00 1.92 2.47 0.12 -2.79 114.38 116.30 1iq8 h ARG 335 Ca 0.06 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.78 1iq8 h ARG 335 Cb 0.01 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.33 1iq8 h ARG 335 CO -0.01 0.40 -0.00 0.00 0.56 0.00 0.00 179.97 180.91 1iq8 h ALA 336 N 1.60 1.11 0.00 0.04 0.00 -0.40 -0.16 119.26 121.45 1iq8 h ALA 336 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1iq8 h ALA 336 Cb 0.72 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1iq8 h ALA 336 CO 0.05 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.84 1iq8 n ARG 337 N -3.25 0.84 -0.01 0.00 5.12 -1.05 -2.66 116.66 115.65 1iq8 n ARG 337 Ca -0.03 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.83 1iq8 n ARG 337 Cb 0.08 -1.50 0.11 0.00 -1.16 0.00 0.00 32.46 29.99 1iq8 n ARG 337 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 1iq8 h SER 338 N 0.00 0.59 -4.47 0.55 0.02 -1.21 -3.46 113.55 105.57 1iq8 h SER 338 Ca 0.00 -0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 60.62 1iq8 h SER 338 Cb 0.03 -0.16 -0.21 0.00 0.14 0.00 0.00 62.40 62.20 1iq8 h SER 338 CO 0.00 0.91 0.03 -2.28 -1.14 0.00 0.00 176.83 174.35 1iq8 s HIS 339 N -4.27 -0.60 0.29 3.45 5.65 -1.24 -4.94 115.29 113.63 1iq8 s HIS 339 Ca -0.07 1.26 0.03 0.00 0.25 0.00 0.00 55.06 56.53 1iq8 s HIS 339 Cb 0.12 0.27 0.62 0.00 -1.18 0.00 0.00 32.58 32.42 1iq8 s HIS 339 CO 0.82 -0.43 1.83 -1.35 -0.65 0.00 0.00 174.74 174.95 1iq8 h PRO 340 N 4.22 0.90 -0.09 2.88 0.11 -1.89 -0.24 132.00 137.90 1iq8 h PRO 340 Ca -0.28 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.72 1iq8 h PRO 340 Cb 1.16 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1iq8 h PRO 340 CO 0.26 0.59 -0.18 0.87 -0.21 0.00 0.00 178.00 179.33 1iq8 h LYS 341 N 0.92 0.14 0.05 1.05 6.56 -1.92 0.60 116.57 123.97 1iq8 h LYS 341 Ca 0.51 -0.03 -0.26 0.00 -1.06 0.00 0.00 60.65 59.81 1iq8 h LYS 341 Cb 0.59 -0.02 0.02 0.00 -0.57 0.00 0.00 32.23 32.26 1iq8 h LYS 341 CO -0.28 0.33 -1.04 1.25 -2.06 0.00 0.00 179.45 177.64 1iq8 h LEU 342 N 0.13 0.83 -0.46 2.94 6.46 -1.36 -2.24 115.31 121.61 1iq8 h LEU 342 Ca 0.03 -0.78 0.05 0.00 -0.12 0.00 0.00 57.88 57.05 1iq8 h LEU 342 Cb 0.40 -0.26 -0.05 0.00 -0.73 0.00 0.00 40.66 40.03 1iq8 h LEU 342 CO 0.03 1.51 0.19 0.22 -0.62 0.00 0.00 178.44 179.77 1iq8 h TYR 343 N 0.24 0.34 -0.56 1.25 3.20 -0.79 0.30 116.97 120.95 1iq8 h TYR 343 Ca -0.14 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.76 1iq8 h TYR 343 Cb 1.72 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 39.87 1iq8 h TYR 343 CO 0.12 0.14 0.36 1.03 -1.64 0.00 0.00 178.16 178.17 1iq8 h SER 344 N 0.38 0.61 -0.64 -2.11 0.87 -0.87 -1.17 113.55 110.62 1iq8 h SER 344 Ca 0.21 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.70 1iq8 h SER 344 Cb 0.17 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 1iq8 h SER 344 CO -0.19 0.44 0.17 0.00 -0.53 0.00 0.00 176.83 176.72 1iq8 h ALA 345 N 1.22 1.05 -0.45 6.23 0.00 -0.68 -1.34 119.26 125.28 1iq8 h ALA 345 Ca 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1iq8 h ALA 345 Cb -0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1iq8 h ALA 345 CO -0.06 0.63 0.23 -0.92 0.00 0.00 0.00 179.25 179.13 1iq8 h TYR 346 N 0.99 0.64 -0.53 0.00 3.20 0.12 0.51 116.97 121.89 1iq8 h TYR 346 Ca 0.21 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 1iq8 h TYR 346 Cb 0.34 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1iq8 h TYR 346 CO 0.02 0.50 0.19 0.87 -1.64 0.00 0.00 178.16 178.10 1iq8 h LYS 347 N 0.59 0.80 -0.37 1.82 1.57 -0.95 -2.26 116.57 117.77 1iq8 h LYS 347 Ca 0.16 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1iq8 h LYS 347 Cb 0.09 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1iq8 h LYS 347 CO -0.02 0.72 0.24 -0.09 -0.57 0.00 0.00 179.45 179.72 1iq8 h ARG 348 N 0.72 0.47 -0.50 3.15 9.65 -0.91 -2.48 114.38 124.48 1iq8 h ARG 348 Ca 0.17 -0.03 0.08 0.00 -1.10 0.00 0.00 59.98 59.11 1iq8 h ARG 348 Cb 0.23 -0.11 -0.07 0.00 -1.39 0.00 0.00 29.97 28.63 1iq8 h ARG 348 CO -0.01 0.31 0.10 1.25 2.80 0.00 0.00 179.97 184.42 1iq8 h LEU 349 N 0.48 -0.01 -2.53 3.80 5.85 -0.63 0.03 115.31 122.31 1iq8 h LEU 349 Ca 0.14 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1iq8 h LEU 349 Cb -0.04 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1iq8 h LEU 349 CO -0.04 0.02 0.00 -0.07 -0.34 0.00 0.00 178.44 178.01 1iq8 h LEU 350 N 0.23 0.00 -1.06 2.25 3.38 -0.95 -1.46 115.31 117.70 1iq8 h LEU 350 Ca 0.25 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.12 1iq8 h LEU 350 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1iq8 h LEU 350 CO -0.33 0.00 -0.43 -0.33 0.09 0.00 0.00 178.44 177.44 1iq8 h GLU 351 N 0.00 0.07 -2.58 1.13 5.08 -0.80 -3.30 114.58 114.19 1iq8 h GLU 351 Ca 0.00 -0.03 -0.33 0.00 -1.00 0.00 0.00 59.36 57.99 1iq8 h GLU 351 Cb 0.02 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1iq8 h GLU 351 CO 0.00 0.50 1.31 0.72 -1.00 0.00 0.00 179.01 180.54 1iq8 n HIS 352 N -4.02 0.87 -0.13 4.33 8.25 -0.55 -4.62 115.22 119.35 1iq8 n HIS 352 Ca -0.02 -1.88 -0.06 0.00 -0.26 0.00 0.00 57.72 55.51 1iq8 n HIS 352 Cb 0.47 -1.75 0.03 0.00 1.12 0.00 0.00 29.99 29.86 1iq8 n HIS 352 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1iq8 h TYR 353 N 4.31 0.36 -0.45 4.41 3.20 -1.81 -2.36 116.97 124.63 1iq8 h TYR 353 Ca 0.41 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.38 1iq8 h TYR 353 Cb 0.84 -0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.94 1iq8 h TYR 353 CO 1.77 0.17 -0.01 1.15 -1.64 0.00 0.00 178.16 179.60 1iq8 h THR 354 N 0.39 0.64 0.51 1.81 2.02 -1.94 0.76 112.91 117.11 1iq8 h THR 354 Ca 0.19 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.31 1iq8 h THR 354 Cb 0.12 0.54 0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1iq8 h THR 354 CO -0.15 0.02 -0.25 0.15 0.37 0.00 0.00 175.52 175.66 1iq8 h PHE 355 N 0.10 -0.64 -0.99 3.16 3.57 -1.90 -3.25 116.94 116.99 1iq8 h PHE 355 Ca 0.22 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.72 1iq8 h PHE 355 Cb 0.33 0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.23 1iq8 h PHE 355 CO -0.30 -0.35 0.65 -0.07 -2.23 0.00 0.00 178.31 176.01 1iq8 h LEU 356 N -0.81 1.12 -1.26 0.59 3.38 -1.16 -3.04 115.31 114.13 1iq8 h LEU 356 Ca -0.07 -0.03 0.10 0.00 0.09 0.00 0.00 57.88 57.97 1iq8 h LEU 356 Cb 0.58 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 1iq8 h LEU 356 CO 0.12 0.80 0.55 -0.08 0.09 0.00 0.00 178.44 179.92 1iq8 h GLU 357 N 1.32 0.78 -0.04 1.13 4.22 -0.89 -1.93 114.58 119.18 1iq8 h GLU 357 Ca 0.37 -0.05 0.01 0.00 0.08 0.00 0.00 59.36 59.77 1iq8 h GLU 357 Cb -0.13 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 28.94 1iq8 h GLU 357 CO -0.09 0.52 0.03 1.49 -2.18 0.00 0.00 179.01 178.78 1iq8 h GLU 358 N 0.81 0.00 0.00 1.92 4.81 -1.58 -3.09 114.58 117.45 1iq8 h GLU 358 Ca 0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1iq8 h GLU 358 Cb 0.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1iq8 h GLU 358 CO -0.17 0.00 -1.20 1.19 -0.73 0.00 0.00 179.01 178.11 1iq8 n PHE 359 N -4.39 0.00 -1.73 0.92 3.01 -0.79 -4.69 117.46 109.79 1iq8 n PHE 359 Ca -0.02 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.02 1iq8 n PHE 359 Cb 0.13 -0.17 -0.03 0.00 -0.01 0.00 0.00 39.48 39.40 1iq8 n PHE 359 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1iq8 s GLU 360 N -2.73 4.07 0.49 -1.08 2.56 -0.84 -4.65 118.70 116.52 1iq8 s GLU 360 Ca 0.00 2.48 -0.22 0.00 0.00 0.00 0.00 54.97 57.23 1iq8 s GLU 360 Cb 0.11 -4.15 -0.09 0.00 2.00 0.00 0.00 34.13 32.00 1iq8 s GLU 360 CO 0.63 -1.03 0.86 -2.30 -0.56 0.00 0.00 175.26 172.86 1iq8 n PRO 361 N 7.57 1.00 0.22 4.30 -0.02 -1.26 -4.52 135.00 142.29 1iq8 n PRO 361 Ca 0.20 0.37 0.10 0.00 -2.02 0.00 0.00 63.50 62.15 1iq8 n PRO 361 Cb 0.42 -1.95 0.41 0.00 -0.02 0.00 0.00 33.50 32.35 1iq8 n PRO 361 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1iq8 h ILE 362 N 0.97 0.52 -3.76 4.25 6.09 -1.13 -3.45 117.51 121.01 1iq8 h ILE 362 Ca -0.45 -1.20 -0.11 0.00 -1.37 0.00 0.00 64.86 61.73 1iq8 h ILE 362 Cb 1.36 1.83 -0.16 0.00 0.47 0.00 0.00 36.82 40.32 1iq8 h ILE 362 CO 0.53 0.22 -0.45 0.28 -3.07 0.00 0.00 178.15 175.66 1iq8 s THR 363 N -3.55 0.13 0.04 2.19 -1.32 -1.26 -4.96 115.64 106.91 1iq8 s THR 363 Ca 0.01 -1.10 -0.01 0.00 -1.21 0.00 0.00 61.69 59.38 1iq8 s THR 363 Cb 0.10 -1.06 -0.03 0.00 -1.51 0.00 0.00 72.50 70.00 1iq8 s THR 363 CO 0.64 -0.61 -0.01 -0.54 -2.21 0.00 0.00 174.62 171.89 1iq8 s LYS 364 N -3.01 0.49 0.25 7.08 1.02 -1.26 -4.99 119.74 119.32 1iq8 s LYS 364 Ca -0.02 -0.92 -0.00 0.00 0.02 0.00 0.00 55.97 55.05 1iq8 s LYS 364 Cb 0.01 0.17 0.32 0.00 -0.52 0.00 0.00 37.83 37.82 1iq8 s LYS 364 CO -0.06 -0.09 1.69 0.87 -0.92 0.00 0.00 175.35 176.83 1iq8 h LYS 365 N 3.80 0.60 -6.56 1.68 1.57 -1.89 -3.44 116.57 112.32 1iq8 h LYS 365 Ca -0.33 -0.23 -0.52 0.00 -1.87 0.00 0.00 60.65 57.70 1iq8 h LYS 365 Cb 1.17 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.42 1iq8 h LYS 365 CO 0.54 0.79 -0.00 0.45 -0.57 0.00 0.00 179.45 180.65 1iq8 s SER 366 N -6.78 6.75 0.51 0.86 0.15 -0.54 -5.04 113.70 109.60 1iq8 s SER 366 Ca -0.08 1.13 -0.19 0.00 0.70 0.00 0.00 55.95 57.51 1iq8 s SER 366 Cb 0.13 -2.31 -0.07 0.00 -1.71 0.00 0.00 66.02 62.06 1iq8 s SER 366 CO 0.81 -0.10 1.04 0.00 1.20 0.00 0.00 173.24 176.19 1iq8 s ALA 367 N -1.82 2.84 -0.12 5.45 0.00 -1.26 -4.97 121.76 121.89 1iq8 s ALA 367 Ca 0.49 0.57 -0.29 0.00 0.00 0.00 0.00 51.96 52.72 1iq8 s ALA 367 Cb -0.12 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 1iq8 s ALA 367 CO 0.19 -0.42 1.42 -1.17 0.00 0.00 0.00 175.76 175.79 1iq8 s LEU 368 N -3.69 4.24 -0.26 0.00 1.98 0.19 -4.88 118.68 116.26 1iq8 s LEU 368 Ca 0.67 1.92 -0.10 0.00 -2.89 0.00 0.00 54.13 53.73 1iq8 s LEU 368 Cb -0.16 -3.54 -0.05 0.00 0.66 0.00 0.00 46.19 43.10 1iq8 s LEU 368 CO 0.23 -0.83 0.16 -0.36 -1.89 0.00 0.00 176.35 173.66 1iq8 s PHE 369 N 3.68 3.21 -0.74 5.38 2.99 -1.26 0.03 117.98 131.27 1iq8 s PHE 369 Ca 0.62 0.04 -0.22 0.00 0.00 0.00 0.00 56.93 57.37 1iq8 s PHE 369 Cb -0.27 -2.32 0.08 0.00 0.00 0.00 0.00 43.02 40.52 1iq8 s PHE 369 CO 0.21 -0.14 1.04 0.21 -0.00 0.00 0.00 175.22 176.54 1iq8 s LYS 370 N 1.53 3.25 -0.05 0.44 2.36 0.12 -4.79 119.74 122.59 1iq8 s LYS 370 Ca 0.07 -1.04 0.07 0.00 -2.55 0.00 0.00 55.97 52.52 1iq8 s LYS 370 Cb -0.15 -4.44 0.11 0.00 -1.05 0.00 0.00 37.83 32.29 1iq8 s LYS 370 CO 0.08 -1.84 1.03 0.44 1.55 0.00 0.00 175.35 176.61 1iq8 n ILE 371 N 5.90 1.24 -3.69 5.43 -6.64 -1.26 -4.66 119.36 115.68 1iq8 n ILE 371 Ca 0.05 -1.38 0.04 0.00 -1.77 0.00 0.00 62.75 59.68 1iq8 n ILE 371 Cb 0.47 0.25 0.00 0.00 -1.44 0.00 0.00 39.64 38.92 1iq8 n ILE 371 CO 0.00 0.00 0.00 -0.94 -1.77 0.00 0.00 176.55 173.84 1iq8 s SER 372 N -1.65 -0.01 0.26 7.28 1.04 -1.26 -4.97 113.70 114.39 1iq8 s SER 372 Ca 0.12 -0.04 0.03 0.00 0.48 0.00 0.00 55.95 56.53 1iq8 s SER 372 Cb 0.10 0.04 0.34 0.00 0.10 0.00 0.00 66.02 66.61 1iq8 s SER 372 CO 0.01 -0.08 1.65 0.78 0.98 0.00 0.00 173.24 176.59 1iq8 h ASN 373 N 2.00 0.43 -0.07 7.02 4.21 -2.01 -3.04 115.58 124.12 1iq8 h ASN 373 Ca -0.30 -0.18 -0.09 0.00 1.21 0.00 0.00 56.30 56.95 1iq8 h ASN 373 Cb 1.19 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 38.25 1iq8 h ASN 373 CO 0.30 0.78 -0.21 -0.33 -1.29 0.00 0.00 177.43 176.67 1iq8 h GLU 374 N 0.34 0.47 0.00 0.81 3.07 -2.00 -2.77 114.58 114.51 1iq8 h GLU 374 Ca 0.03 -0.16 -0.00 0.00 -0.50 0.00 0.00 59.36 58.73 1iq8 h GLU 374 Cb 0.84 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.71 1iq8 h GLU 374 CO 0.07 0.66 -0.00 0.66 -1.40 0.00 0.00 179.01 179.00 1iq8 h SER 375 N 0.42 0.00 0.50 1.42 4.64 -1.89 0.26 113.55 118.91 1iq8 h SER 375 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1iq8 h SER 375 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1iq8 h SER 375 CO 0.04 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.19 1iq8 n LEU 376 N -3.69 0.00 -0.48 5.97 4.77 -1.04 -2.21 117.00 120.32 1iq8 n LEU 376 Ca -0.03 0.43 0.05 0.00 -0.03 0.00 0.00 56.01 56.43 1iq8 n LEU 376 Cb 0.08 -0.43 0.13 0.00 -2.33 0.00 0.00 43.42 40.87 1iq8 n LEU 376 CO 0.26 -0.18 0.60 0.54 -1.33 0.00 0.00 177.39 177.28 1iq8 n ARG 377 N -1.43 2.84 -2.16 3.23 1.74 0.91 -4.65 116.66 117.15 1iq8 n ARG 377 Ca 0.05 -2.03 -0.36 0.00 -0.77 0.00 0.00 57.85 54.74 1iq8 n ARG 377 Cb 0.18 -1.28 0.01 0.00 -1.02 0.00 0.00 32.46 30.35 1iq8 n ARG 377 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1iq8 s TRP 378 N -1.30 2.62 0.27 -1.55 0.51 -0.94 -4.83 118.94 113.71 1iq8 s TRP 378 Ca 0.20 1.52 -0.02 0.00 -2.12 0.00 0.00 56.10 55.68 1iq8 s TRP 378 Cb 0.12 -3.41 0.57 0.00 -0.81 0.00 0.00 33.47 29.95 1iq8 s TRP 378 CO 0.10 -1.83 1.66 -1.35 -0.51 0.00 0.00 176.95 175.02 1iq8 h PRO 379 N 1.37 0.21 -0.22 4.98 0.11 -1.93 -0.81 132.00 135.71 1iq8 h PRO 379 Ca -0.50 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1iq8 h PRO 379 Cb 1.27 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1iq8 h PRO 379 CO 0.57 0.14 0.12 -0.24 -0.21 0.00 0.00 178.00 178.38 1iq8 h VAL 380 N 0.22 1.07 -0.01 3.15 3.04 -1.95 -1.06 116.25 120.71 1iq8 h VAL 380 Ca 0.48 -0.18 -0.01 0.00 -1.01 0.00 0.00 66.70 65.98 1iq8 h VAL 380 Cb 0.90 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 30.96 1iq8 h VAL 380 CO -0.61 0.08 -0.03 0.58 -1.01 0.00 0.00 177.57 176.58 1iq8 h VAL 381 N 0.30 1.48 -0.53 1.51 2.07 -1.47 -1.72 116.25 117.89 1iq8 h VAL 381 Ca 0.08 -1.45 -0.06 0.00 0.82 0.00 0.00 66.70 66.08 1iq8 h VAL 381 Cb 0.01 2.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 1iq8 h VAL 381 CO -0.01 0.38 0.07 0.03 0.02 0.00 0.00 177.57 178.06 1iq8 h ARG 382 N -0.56 0.84 -0.19 1.57 3.08 -1.34 -1.04 114.38 116.74 1iq8 h ARG 382 Ca -0.00 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.83 1iq8 h ARG 382 Cb 0.64 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1iq8 h ARG 382 CO 0.01 0.79 0.02 -0.09 -1.07 0.00 0.00 179.97 179.63 1iq8 h ARG 383 N 0.80 0.31 -0.53 0.04 2.43 -1.24 -2.21 114.38 113.98 1iq8 h ARG 383 Ca 0.17 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1iq8 h ARG 383 Cb 0.38 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1iq8 h ARG 383 CO 0.01 0.49 0.33 0.00 -1.51 0.00 0.00 179.97 179.29 1iq8 h ALA 384 N 0.81 0.67 0.33 2.80 0.00 -1.09 -1.35 119.26 121.44 1iq8 h ALA 384 Ca 0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1iq8 h ALA 384 Cb 0.34 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1iq8 h ALA 384 CO 0.01 0.14 -0.22 0.87 0.00 0.00 0.00 179.25 180.05 1iq8 h LYS 385 N 0.71 -0.51 -0.61 0.00 1.57 -1.14 0.05 116.57 116.63 1iq8 h LYS 385 Ca 0.19 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1iq8 h LYS 385 Cb -0.04 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1iq8 h LYS 385 CO -0.04 -0.34 0.38 0.93 -0.57 0.00 0.00 179.45 179.81 1iq8 h GLU 386 N -0.53 0.81 -0.11 3.15 5.08 -1.32 -2.92 114.58 118.73 1iq8 h GLU 386 Ca -0.03 -0.06 -0.23 0.00 -1.00 0.00 0.00 59.36 58.04 1iq8 h GLU 386 Cb 0.45 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.53 1iq8 h GLU 386 CO 0.03 0.55 -0.83 0.00 -1.00 0.00 0.00 179.01 177.76 1iq8 h ARG 387 N 0.83 0.71 0.00 2.33 3.08 -1.01 -3.26 114.38 117.06 1iq8 h ARG 387 Ca 0.22 -0.61 -0.00 0.00 0.07 0.00 0.00 59.98 59.65 1iq8 h ARG 387 Cb -0.06 0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 1iq8 h ARG 387 CO -0.04 1.22 -0.00 0.00 -1.07 0.00 0.00 179.97 180.07 1iq8 h ALA 388 N 0.59 1.00 -0.09 0.04 0.00 -0.81 -3.34 119.26 116.66 1iq8 h ALA 388 Ca -0.06 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1iq8 h ALA 388 Cb 1.45 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.19 1iq8 h ALA 388 CO 0.16 0.00 -0.51 0.87 0.00 0.00 0.00 179.25 179.78 1iq8 h LYS 389 N 0.00 -0.55 0.00 0.00 1.57 -1.56 0.26 116.57 116.29 1iq8 h LYS 389 Ca -0.00 0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1iq8 h LYS 389 Cb 0.42 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 1iq8 h LYS 389 CO 0.00 -0.37 -0.06 0.66 -0.57 0.00 0.00 179.45 179.12 1iq8 h SER 390 N -0.57 0.00 0.15 0.86 4.64 -1.80 -1.82 113.55 115.01 1iq8 h SER 390 Ca 0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1iq8 h SER 390 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1iq8 h SER 390 CO -0.39 0.06 -0.07 0.40 -0.87 0.00 0.00 176.83 175.95 1iq8 h ILE 391 N 0.00 0.93 -0.93 0.95 1.08 -1.48 -2.38 117.51 115.68 1iq8 h ILE 391 Ca -0.00 -1.09 0.14 0.00 -0.39 0.00 0.00 64.86 63.51 1iq8 h ILE 391 Cb 0.11 1.53 -0.08 0.00 -3.07 0.00 0.00 36.82 35.31 1iq8 h ILE 391 CO 0.01 0.23 0.60 0.78 -0.69 0.00 0.00 178.15 179.07 1iq8 h ASN 392 N -0.80 0.75 -0.50 1.72 2.35 -0.29 0.12 115.58 118.93 1iq8 h ASN 392 Ca -0.02 0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.70 1iq8 h ASN 392 Cb 0.53 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 1iq8 h ASN 392 CO 0.03 0.38 0.02 -0.33 -1.65 0.00 0.00 177.43 175.88 1iq8 h GLU 393 N 0.79 0.88 0.05 0.81 5.08 -1.33 -0.02 114.58 120.84 1iq8 h GLU 393 Ca 0.47 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.48 1iq8 h GLU 393 Cb 0.66 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.84 1iq8 h GLU 393 CO -0.24 0.90 -0.34 -0.09 -1.00 0.00 0.00 179.01 178.24 1iq8 h ARG 394 N 0.74 0.14 0.00 2.33 2.43 -0.75 -3.37 114.38 115.91 1iq8 h ARG 394 Ca 0.15 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1iq8 h ARG 394 Cb 0.49 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1iq8 h ARG 394 CO 0.02 1.07 -0.52 1.19 -1.51 0.00 0.00 179.97 180.22 1iq8 n PHE 395 N -4.41 0.20 -1.31 2.20 3.01 -0.06 -5.03 117.46 112.06 1iq8 n PHE 395 Ca -0.11 0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.41 1iq8 n PHE 395 Cb 0.61 -0.42 0.00 0.00 -0.01 0.00 0.00 39.48 39.66 1iq8 n PHE 395 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iq8 n GLY 396 N 1.44 1.67 4.05 1.37 0.00 -0.02 -4.83 105.19 108.87 1iq8 n GLY 396 Ca 0.05 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 1iq8 n GLY 396 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1iq8 n GLU 397 N 13.73 -2.98 -1.32 1.61 1.02 -1.26 -4.24 120.64 127.20 1iq8 n GLU 397 Ca 0.00 0.36 -0.32 0.00 -0.02 0.00 0.00 57.16 57.18 1iq8 n GLU 397 Cb 0.00 -4.52 0.09 0.00 -0.02 0.00 0.00 31.44 26.99 1iq8 n GLU 397 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1iq8 s LEU 398 N -7.08 3.14 0.01 -4.62 1.43 -1.26 -1.63 118.68 108.67 1iq8 s LEU 398 Ca 0.15 2.02 -0.01 0.00 -1.03 0.00 0.00 54.13 55.25 1iq8 s LEU 398 Cb -0.08 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.58 1iq8 s LEU 398 CO 0.91 -2.16 0.00 0.54 0.23 0.00 0.00 176.35 175.87 1iq8 s VAL 399 N -2.56 0.10 0.32 -1.59 0.11 -0.11 -4.77 120.40 111.89 1iq8 s VAL 399 Ca 0.66 -0.79 -0.29 0.00 -2.93 0.00 0.00 61.98 58.63 1iq8 s VAL 399 Cb -0.21 -0.27 -0.11 0.00 -1.53 0.00 0.00 36.38 34.26 1iq8 s VAL 399 CO 0.51 -0.43 1.52 -1.61 -3.33 0.00 0.00 175.10 171.75 1iq8 s GLU 400 N -1.31 4.15 -0.06 1.54 2.02 -1.26 -1.25 118.70 122.54 1iq8 s GLU 400 Ca -0.14 2.52 0.01 0.00 0.02 0.00 0.00 54.97 57.38 1iq8 s GLU 400 Cb -0.09 -3.02 0.02 0.00 0.10 0.00 0.00 34.13 31.15 1iq8 s GLU 400 CO -0.00 -0.54 -0.07 -1.58 0.02 0.00 0.00 175.26 173.08 1iq8 s HIS 401 N -0.47 1.03 0.54 1.61 2.46 0.64 -4.85 115.29 116.25 1iq8 s HIS 401 Ca 0.58 -0.35 0.33 0.00 0.47 0.00 0.00 55.06 56.09 1iq8 s HIS 401 Cb -0.46 -0.85 1.50 0.00 -0.13 0.00 0.00 32.58 32.64 1iq8 s HIS 401 CO 0.53 -0.25 1.86 -1.35 -2.47 0.00 0.00 174.74 173.06 1iq8 h PRO 402 N 7.27 0.00 0.00 2.88 0.11 -1.87 0.28 132.00 140.66 1iq8 h PRO 402 Ca -0.34 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.58 1iq8 h PRO 402 Cb 1.16 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1iq8 h PRO 402 CO 0.45 0.00 -1.64 -0.89 -0.21 0.00 0.00 178.00 175.71 1iq8 n ILE 403 N -4.22 0.63 1.22 4.15 5.41 -1.26 -4.71 119.36 120.59 1iq8 n ILE 403 Ca 0.20 -0.18 0.12 0.00 1.00 0.00 0.00 62.75 63.89 1iq8 n ILE 403 Cb 1.04 -1.47 0.38 0.00 -0.71 0.00 0.00 39.64 38.88 1iq8 n ILE 403 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1iq8 n PHE 404 N -3.35 0.11 0.00 1.39 3.01 -1.22 -4.97 117.46 112.43 1iq8 n PHE 404 Ca -0.22 -0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.18 1iq8 n PHE 404 Cb 0.67 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.14 1iq8 n PHE 404 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iq8 n GLY 405 N 1.22 2.16 3.09 1.37 0.00 0.97 -4.75 105.19 109.26 1iq8 n GLY 405 Ca 0.17 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 1iq8 n GLY 405 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1iq8 s ARG 406 N 0.00 0.24 -0.02 1.61 3.03 -1.26 0.23 118.95 122.79 1iq8 s ARG 406 Ca 0.00 0.50 -0.04 0.00 2.03 0.00 0.00 55.73 58.22 1iq8 s ARG 406 Cb 0.00 -0.04 0.00 0.00 -1.03 0.00 0.00 34.95 33.88 1iq8 s ARG 406 CO 0.00 -0.13 0.09 0.54 -1.13 0.00 0.00 175.30 174.67 1iq8 s VAL 407 N 0.96 0.03 0.38 4.99 0.11 -0.38 -4.87 120.40 121.62 1iq8 s VAL 407 Ca -0.07 -0.26 -0.26 0.00 -2.93 0.00 0.00 61.98 58.46 1iq8 s VAL 407 Cb -0.08 -0.21 -0.12 0.00 -1.53 0.00 0.00 36.38 34.44 1iq8 s VAL 407 CO -0.06 -0.14 1.03 -0.24 -3.33 0.00 0.00 175.10 172.35 1iq8 n SER 408 N 2.52 1.39 0.32 3.54 2.88 -1.26 -0.93 113.62 122.08 1iq8 n SER 408 Ca -0.16 1.09 0.19 0.00 -1.33 0.00 0.00 58.87 58.66 1iq8 n SER 408 Cb 0.58 -1.35 1.06 0.00 -0.75 0.00 0.00 64.21 63.76 1iq8 n SER 408 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 1iq8 h ARG 409 N 1.75 0.00 0.00 -1.46 0.11 -1.48 -1.58 114.38 111.72 1iq8 h ARG 409 Ca -0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.65 1iq8 h ARG 409 Cb 1.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.41 1iq8 h ARG 409 CO 0.58 0.01 0.00 0.66 0.10 0.00 0.00 179.97 181.32 1iq8 n TYR 410 N -3.40 0.62 -0.36 4.08 4.02 -1.26 -1.91 117.16 118.94 1iq8 n TYR 410 Ca -0.03 0.23 0.05 0.00 -0.01 0.00 0.00 57.90 58.14 1iq8 n TYR 410 Cb 0.09 -0.87 0.12 0.00 -0.02 0.00 0.00 39.34 38.66 1iq8 n TYR 410 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1iq8 n LEU 411 N -2.05 2.73 0.00 7.72 4.77 -0.60 -4.57 117.00 125.00 1iq8 n LEU 411 Ca 0.03 -2.29 0.11 0.00 -0.03 0.00 0.00 56.01 53.83 1iq8 n LEU 411 Cb 0.25 -0.23 0.59 0.00 -2.33 0.00 0.00 43.42 41.69 1iq8 n LEU 411 CO 0.20 0.65 0.87 -1.54 -1.33 0.00 0.00 177.39 176.24 1iq8 n SER 412 N -0.20 0.00 -0.32 -1.43 3.41 -0.80 -2.63 113.62 111.65 1iq8 n SER 412 Ca 0.10 -0.12 0.03 0.00 -0.26 0.00 0.00 58.87 58.62 1iq8 n SER 412 Cb 0.47 -0.25 0.05 0.00 -0.26 0.00 0.00 64.21 64.22 1iq8 n SER 412 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1iq8 n LEU 413 N -1.25 1.95 -4.67 1.04 4.77 -1.26 -3.96 117.00 113.61 1iq8 n LEU 413 Ca 0.12 -1.38 -0.33 0.00 -0.03 0.00 0.00 56.01 54.39 1iq8 n LEU 413 Cb 0.17 -0.05 -0.09 0.00 -2.33 0.00 0.00 43.42 41.12 1iq8 n LEU 413 CO 0.17 0.44 -0.33 -0.89 -1.33 0.00 0.00 177.39 175.45 1iq8 s THR 414 N -0.73 4.11 0.31 -5.08 2.01 -1.08 -3.73 115.64 111.46 1iq8 s THR 414 Ca 0.10 -0.58 -0.30 0.00 0.31 0.00 0.00 61.69 61.23 1iq8 s THR 414 Cb 0.06 -2.82 -0.11 0.00 0.01 0.00 0.00 72.50 69.64 1iq8 s THR 414 CO 0.09 0.41 1.59 -0.47 -0.69 0.00 0.00 174.62 175.55 1iq8 s TYR 415 N -1.05 2.70 -0.71 4.92 5.04 0.38 0.26 117.35 128.88 1iq8 s TYR 415 Ca 0.18 0.82 0.15 0.00 -2.44 0.00 0.00 57.07 55.79 1iq8 s TYR 415 Cb -0.11 -4.08 0.72 0.00 0.35 0.00 0.00 41.96 38.84 1iq8 s TYR 415 CO 0.09 -3.57 1.62 -0.35 -1.34 0.00 0.00 175.55 171.99 1iq8 n PRO 416 N 1.87 4.13 0.05 4.97 -0.04 -1.26 -4.93 135.00 139.79 1iq8 n PRO 416 Ca 0.07 -2.81 -0.13 0.00 -0.04 0.00 0.00 63.50 60.60 1iq8 n PRO 416 Cb 0.37 -2.05 -0.09 0.00 -0.04 0.00 0.00 33.50 31.69 1iq8 n PRO 416 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1iq8 h PHE 417 N 3.77 -0.14 0.18 0.54 -1.00 -0.47 -3.24 116.94 116.58 1iq8 h PHE 417 Ca 0.00 -0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.51 1iq8 h PHE 417 Cb 1.65 0.05 0.03 0.00 3.61 0.00 0.00 35.95 41.28 1iq8 h PHE 417 CO 0.88 0.27 -1.14 0.00 -1.61 0.00 0.00 178.31 176.72 1iq8 h ALA 418 N 0.19 -0.10 -0.19 2.45 0.00 -1.57 -3.35 119.26 116.68 1iq8 h ALA 418 Ca -0.02 -0.76 -0.27 0.00 0.00 0.00 0.00 54.91 53.86 1iq8 h ALA 418 Cb 0.48 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.30 1iq8 h ALA 418 CO 0.03 0.55 -0.07 1.04 0.00 0.00 0.00 179.25 180.80 1iq8 n GLN 419 N -3.92 2.01 -4.09 0.00 1.13 -1.25 -4.85 117.38 106.40 1iq8 n GLN 419 Ca -0.15 -1.34 -0.08 0.00 -1.94 0.00 0.00 57.00 53.49 1iq8 n GLN 419 Cb 0.95 -1.92 -0.10 0.00 0.11 0.00 0.00 30.24 29.28 1iq8 n GLN 419 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1iq8 s SER 420 N 1.39 0.58 -0.08 1.08 1.04 -1.22 0.56 113.70 117.05 1iq8 s SER 420 Ca 0.56 -0.96 -0.07 0.00 0.48 0.00 0.00 55.95 55.96 1iq8 s SER 420 Cb 0.30 0.17 0.02 0.00 0.10 0.00 0.00 66.02 66.62 1iq8 s SER 420 CO -0.07 -0.55 0.21 -0.70 0.98 0.00 0.00 173.24 173.11 1iq8 s GLU 421 N -3.70 0.23 0.00 4.02 2.12 0.10 -4.86 118.70 116.61 1iq8 s GLU 421 Ca 0.06 0.31 0.00 0.00 0.36 0.00 0.00 54.97 55.70 1iq8 s GLU 421 Cb 0.06 0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.53 1iq8 s GLU 421 CO -0.08 -0.05 0.00 0.00 -0.54 0.00 0.00 175.26 174.59 1iq8 n ALA 422 N 3.15 0.00 -0.20 6.30 0.00 -1.26 -0.71 120.51 127.79 1iq8 n ALA 422 Ca -0.14 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.27 1iq8 n ALA 422 Cb 0.58 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.11 1iq8 n ALA 422 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1iq8 h GLU 423 N 0.00 0.51 -6.25 0.00 3.07 -1.93 -3.41 114.58 106.57 1iq8 h GLU 423 Ca 0.00 -0.03 -0.68 0.00 -0.50 0.00 0.00 59.36 58.15 1iq8 h GLU 423 Cb 0.00 -0.11 -0.17 0.00 -0.84 0.00 0.00 28.75 27.62 1iq8 h GLU 423 CO 0.00 0.34 -0.70 -0.51 -1.40 0.00 0.00 179.01 176.74 1iq8 s ASP 424 N -5.49 4.67 0.50 1.42 1.01 -1.26 -5.11 116.67 112.42 1iq8 s ASP 424 Ca -0.13 -0.11 -0.22 0.00 0.71 0.00 0.00 52.55 52.81 1iq8 s ASP 424 Cb 0.15 -1.12 -0.06 0.00 1.01 0.00 0.00 42.92 42.90 1iq8 s ASP 424 CO 0.75 0.30 1.19 -1.81 0.21 0.00 0.00 175.17 175.81 1iq8 s ASP 425 N -1.29 5.84 -0.21 0.27 1.01 -1.26 -4.81 116.67 116.22 1iq8 s ASP 425 Ca 0.16 2.36 -0.06 0.00 0.71 0.00 0.00 52.55 55.72 1iq8 s ASP 425 Cb -0.11 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.19 1iq8 s ASP 425 CO 0.06 -1.15 0.04 0.12 0.21 0.00 0.00 175.17 174.45 1iq8 s PHE 426 N -1.56 3.11 -0.31 4.23 5.36 -1.26 -4.90 117.98 122.64 1iq8 s PHE 426 Ca 0.68 -0.28 -0.25 0.00 -0.96 0.00 0.00 56.93 56.12 1iq8 s PHE 426 Cb -0.30 -2.12 0.01 0.00 -0.34 0.00 0.00 43.02 40.27 1iq8 s PHE 426 CO 0.35 -0.16 0.87 0.15 -1.46 0.00 0.00 175.22 174.98 1iq8 s LYS 427 N 0.98 3.98 0.31 10.12 1.02 -1.26 -5.01 119.74 129.88 1iq8 s LYS 427 Ca 0.03 0.71 -0.30 0.00 0.02 0.00 0.00 55.97 56.43 1iq8 s LYS 427 Cb -0.14 -3.74 -0.12 0.00 -0.52 0.00 0.00 37.83 33.32 1iq8 s LYS 427 CO 0.02 -0.76 1.56 1.51 -0.92 0.00 0.00 175.35 176.76 1iq8 n ILE 428 N 5.65 1.27 -3.55 2.17 3.06 -1.26 -4.97 119.36 121.73 1iq8 n ILE 428 Ca 0.06 -0.32 -0.41 0.00 -2.50 0.00 0.00 62.75 59.58 1iq8 n ILE 428 Cb 0.48 -1.93 -0.07 0.00 0.54 0.00 0.00 39.64 38.65 1iq8 n ILE 428 CO 0.00 0.00 0.00 -0.70 -2.50 0.00 0.00 176.55 173.35 1iq8 s GLU 429 N -0.91 2.82 0.53 9.51 2.56 -1.26 -5.07 118.70 126.87 1iq8 s GLU 429 Ca 0.61 -2.23 -0.21 0.00 0.00 0.00 0.00 54.97 53.14 1iq8 s GLU 429 Cb -0.50 -3.99 -0.06 0.00 2.00 0.00 0.00 34.13 31.58 1iq8 s GLU 429 CO 0.52 -1.21 1.20 0.15 -0.56 0.00 0.00 175.26 175.36 1iq8 s LYS 430 N 0.52 3.34 0.81 4.30 1.02 -1.26 -4.82 119.74 123.65 1iq8 s LYS 430 Ca 0.13 1.82 -0.11 0.00 0.02 0.00 0.00 55.97 57.83 1iq8 s LYS 430 Cb -0.20 -2.16 0.08 0.00 -0.52 0.00 0.00 37.83 35.04 1iq8 s LYS 430 CO -0.04 -0.91 1.09 -2.14 -0.92 0.00 0.00 175.35 172.44 1iq8 s PRO 431 N -3.04 1.95 0.30 -1.68 0.02 -1.25 -5.09 135.00 126.22 1iq8 s PRO 431 Ca 0.71 0.71 0.08 0.00 0.02 0.00 0.00 61.00 62.51 1iq8 s PRO 431 Cb -0.30 -1.90 -0.03 0.00 0.02 0.00 0.00 34.50 32.29 1iq8 s PRO 431 CO 0.34 -1.73 0.21 0.95 -0.33 0.00 0.00 177.00 176.45 1iq8 s THR 432 N -3.10 3.72 -0.15 0.99 -4.23 -1.26 -4.89 115.64 106.72 1iq8 s THR 432 Ca 0.61 -1.48 0.26 0.00 -1.18 0.00 0.00 61.69 59.90 1iq8 s THR 432 Cb -0.15 -3.19 0.27 0.00 1.34 0.00 0.00 72.50 70.78 1iq8 s THR 432 CO 0.55 -0.25 1.80 0.11 -0.54 0.00 0.00 174.62 176.29 1iq8 h LYS 433 N 1.43 0.00 0.00 3.99 1.57 -1.99 0.04 116.57 121.61 1iq8 h LYS 433 Ca -0.46 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.05 1iq8 h LYS 433 Cb 1.25 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.51 1iq8 h LYS 433 CO 0.60 0.00 -1.78 0.39 -0.57 0.00 0.00 179.45 178.09 1iq8 n GLU 434 N -2.44 0.64 0.02 3.15 4.71 -1.26 -4.35 120.64 121.11 1iq8 n GLU 434 Ca -0.00 0.22 -0.18 0.00 -0.01 0.00 0.00 57.16 57.18 1iq8 n GLU 434 Cb 0.12 -1.74 -0.12 0.00 -1.01 0.00 0.00 31.44 28.69 1iq8 n GLU 434 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1iq8 h ASP 435 N 0.00 0.55 0.00 1.62 3.32 -1.55 -3.41 116.42 116.96 1iq8 h ASP 435 Ca -0.30 -0.80 0.00 0.00 0.02 0.00 0.00 57.03 55.94 1iq8 h ASP 435 Cb 1.95 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 41.33 1iq8 h ASP 435 CO 0.06 1.29 0.00 0.00 -1.72 0.00 0.00 179.24 178.87 1iq8 n ALA 436 N -2.61 0.00 0.20 3.45 0.00 -0.14 0.28 120.51 121.69 1iq8 n ALA 436 Ca -0.11 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.48 1iq8 n ALA 436 Cb 0.73 0.00 0.77 0.00 0.00 0.00 0.00 19.45 20.95 1iq8 n ALA 436 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1iq8 h ILE 437 N 0.00 0.66 -0.22 0.00 6.09 -1.87 0.74 117.51 122.91 1iq8 h ILE 437 Ca 0.00 0.00 -0.08 0.00 -1.37 0.00 0.00 64.86 63.41 1iq8 h ILE 437 Cb 0.00 0.89 -0.01 0.00 0.47 0.00 0.00 36.82 38.16 1iq8 h ILE 437 CO 0.00 0.00 -0.24 0.50 -3.07 0.00 0.00 178.15 175.34 1iq8 h LYS 438 N 0.00 0.40 -0.16 2.19 1.63 0.37 -1.97 116.57 119.03 1iq8 h LYS 438 Ca 0.08 -0.14 -0.04 0.00 -0.85 0.00 0.00 60.65 59.70 1iq8 h LYS 438 Cb 0.38 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1iq8 h LYS 438 CO -0.00 0.61 -0.05 1.88 -3.45 0.00 0.00 179.45 178.44 1iq8 h TYR 439 N 0.36 0.35 -0.98 1.91 -1.99 -0.69 -2.60 116.97 113.32 1iq8 h TYR 439 Ca 0.06 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1iq8 h TYR 439 Cb 0.61 -0.08 -0.05 0.00 2.00 0.00 0.00 36.73 39.21 1iq8 h TYR 439 CO 0.02 0.60 0.63 0.28 -0.00 0.00 0.00 178.16 179.69 1iq8 h VAL 440 N 0.00 1.26 -0.46 -2.88 2.07 -1.34 -1.37 116.25 113.54 1iq8 h VAL 440 Ca 0.04 -0.51 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 1iq8 h VAL 440 Cb 0.50 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 1iq8 h VAL 440 CO 0.02 0.26 -0.04 0.24 0.02 0.00 0.00 177.57 178.07 1iq8 h MET 441 N 1.34 0.83 -0.35 1.57 2.86 -1.35 -0.32 114.93 119.52 1iq8 h MET 441 Ca 0.36 -0.28 -0.13 0.00 -2.06 0.00 0.00 59.70 57.59 1iq8 h MET 441 Cb -0.12 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 1iq8 h MET 441 CO -0.07 0.91 -0.29 0.00 1.06 0.00 0.00 176.91 178.51 1iq8 h ALA 442 N 0.90 0.82 -0.21 6.32 0.00 -1.26 -1.86 119.26 123.97 1iq8 h ALA 442 Ca 0.13 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1iq8 h ALA 442 Cb 0.55 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1iq8 h ALA 442 CO 0.03 0.64 -0.01 0.82 0.00 0.00 0.00 179.25 180.73 1iq8 h ILE 443 N 0.64 1.26 -0.66 0.00 2.04 -1.12 -0.41 117.51 119.26 1iq8 h ILE 443 Ca 0.08 -0.91 0.04 0.00 1.00 0.00 0.00 64.86 65.07 1iq8 h ILE 443 Cb 0.82 1.44 -0.05 0.00 -0.74 0.00 0.00 36.82 38.29 1iq8 h ILE 443 CO 0.07 0.28 0.39 0.00 0.00 0.00 0.00 178.15 178.89 1iq8 h ALA 444 N 0.78 0.87 -0.65 1.87 0.00 -0.95 0.50 119.26 121.68 1iq8 h ALA 444 Ca 0.06 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1iq8 h ALA 444 Cb 0.42 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1iq8 h ALA 444 CO 0.01 0.11 0.27 1.49 0.00 0.00 0.00 179.25 181.13 1iq8 h GLU 445 N 0.74 0.97 -0.18 0.00 4.57 -1.21 0.47 114.58 119.94 1iq8 h GLU 445 Ca 0.28 -0.17 -0.08 0.00 -1.18 0.00 0.00 59.36 58.21 1iq8 h GLU 445 Cb 0.10 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 28.53 1iq8 h GLU 445 CO -0.14 0.80 -0.19 -0.92 -1.18 0.00 0.00 179.01 177.38 1iq8 h TYR 446 N 0.92 0.54 0.13 0.92 3.20 -0.21 -0.40 116.97 122.06 1iq8 h TYR 446 Ca 0.22 -0.16 -0.31 0.00 3.14 0.00 0.00 58.73 61.62 1iq8 h TYR 446 Cb 0.19 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.34 1iq8 h TYR 446 CO 0.01 0.82 -1.54 0.37 -1.64 0.00 0.00 178.16 176.18 1iq8 h GLN 447 N 0.10 0.28 0.00 1.82 4.15 0.04 -3.38 115.11 118.12 1iq8 h GLN 447 Ca 0.03 -0.48 0.00 0.00 0.77 0.00 0.00 58.65 58.97 1iq8 h GLN 447 Cb 0.73 0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.60 1iq8 h GLN 447 CO 0.05 1.16 -0.82 1.19 -1.93 0.00 0.00 178.83 178.47 1iq8 n PHE 448 N -3.48 0.00 0.00 3.99 0.99 0.16 -4.98 117.46 114.14 1iq8 n PHE 448 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.28 1iq8 n PHE 448 Cb 1.05 -0.04 0.00 0.00 -1.00 0.00 0.00 39.48 39.49 1iq8 n PHE 448 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1iq8 n GLY 449 N 1.39 0.56 3.46 1.37 0.00 -0.16 -4.83 105.19 106.97 1iq8 n GLY 449 Ca 0.02 -1.90 -0.51 0.00 0.00 0.00 0.00 46.02 43.63 1iq8 n GLY 449 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1iq8 n GLU 450 N 0.88 0.24 0.00 1.61 4.07 -1.25 -1.68 120.64 124.51 1iq8 n GLU 450 Ca 0.00 0.09 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 1iq8 n GLU 450 Cb 0.00 -1.31 0.00 0.00 -0.06 0.00 0.00 31.44 30.07 1iq8 n GLU 450 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1iq8 n GLY 451 N 1.81 2.97 0.33 8.31 0.00 -1.26 -4.88 105.19 112.48 1iq8 n GLY 451 Ca 0.18 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.38 1iq8 n GLY 451 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iq8 h ALA 452 N 0.00 1.36 0.00 4.61 0.00 -1.61 -2.34 119.26 121.28 1iq8 h ALA 452 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1iq8 h ALA 452 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1iq8 h ALA 452 CO 0.00 -0.12 -0.11 0.66 0.00 0.00 0.00 179.25 179.67 1iq8 h SER 453 N 0.00 0.00 -0.13 0.00 4.64 -1.82 -2.66 113.55 113.59 1iq8 h SER 453 Ca 0.02 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.38 1iq8 h SER 453 Cb 0.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1iq8 h SER 453 CO -0.00 0.11 0.11 0.03 -0.87 0.00 0.00 176.83 176.21 1iq8 h ARG 454 N 0.00 0.00 0.00 4.77 3.08 -1.80 0.67 114.38 121.09 1iq8 h ARG 454 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1iq8 h ARG 454 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1iq8 h ARG 454 CO 0.01 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.91 1iq8 h ALA 455 N 1.90 1.00 0.00 0.04 0.00 -1.69 -3.23 119.26 117.28 1iq8 h ALA 455 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1iq8 h ALA 455 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1iq8 h ALA 455 CO -0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 1iq8 n PHE 456 N -2.76 0.00 -0.37 0.00 3.01 0.12 -4.88 117.46 112.58 1iq8 n PHE 456 Ca 0.01 -0.15 -0.09 0.00 1.01 0.00 0.00 57.45 58.23 1iq8 n PHE 456 Cb 0.28 -0.02 -0.08 0.00 -0.01 0.00 0.00 39.48 39.65 1iq8 n PHE 456 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1iq8 n ASP 457 N -0.15 -0.91 -1.64 4.37 8.00 -0.57 -1.55 116.55 124.10 1iq8 n ASP 457 Ca 0.00 1.57 -0.05 0.00 0.71 0.00 0.00 54.79 57.02 1iq8 n ASP 457 Cb 0.14 -0.21 0.21 0.00 -0.02 0.00 0.00 41.12 41.24 1iq8 n ASP 457 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1iq8 n ASP 458 N -5.12 3.94 -4.91 -2.24 5.75 -1.26 -4.97 116.55 107.74 1iq8 n ASP 458 Ca 0.02 -2.85 -0.28 0.00 -0.01 0.00 0.00 54.79 51.68 1iq8 n ASP 458 Cb 0.24 -0.68 0.03 0.00 -1.03 0.00 0.00 41.12 39.68 1iq8 n ASP 458 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1iq8 s ALA 459 N -2.24 3.20 -0.16 2.12 0.00 -0.59 -4.85 121.76 119.23 1iq8 s ALA 459 Ca 0.38 -0.57 -0.03 0.00 0.00 0.00 0.00 51.96 51.74 1iq8 s ALA 459 Cb 0.31 -2.72 -0.02 0.00 0.00 0.00 0.00 23.12 20.68 1iq8 s ALA 459 CO 0.09 -0.85 -0.05 0.21 0.00 0.00 0.00 175.76 175.16 1iq8 s LYS 460 N -5.07 3.58 -0.27 0.00 2.20 0.50 -4.91 119.74 115.76 1iq8 s LYS 460 Ca 0.55 -0.56 -0.08 0.00 -0.36 0.00 0.00 55.97 55.51 1iq8 s LYS 460 Cb -0.11 -2.90 -0.02 0.00 -1.51 0.00 0.00 37.83 33.29 1iq8 s LYS 460 CO 0.47 0.16 0.10 0.08 -0.36 0.00 0.00 175.35 175.80 1iq8 s VAL 461 N 0.57 4.44 0.20 4.02 1.01 -1.26 -0.41 120.40 128.97 1iq8 s VAL 461 Ca -0.04 -0.26 -0.26 0.00 0.00 0.00 0.00 61.98 61.43 1iq8 s VAL 461 Cb -0.15 -3.15 -0.08 0.00 0.00 0.00 0.00 36.38 33.00 1iq8 s VAL 461 CO 0.03 0.23 0.83 -1.61 0.00 0.00 0.00 175.10 174.58 1iq8 s GLU 462 N 1.62 4.61 -0.10 2.72 2.02 0.03 -4.91 118.70 124.69 1iq8 s GLU 462 Ca 0.06 1.23 0.00 0.00 0.02 0.00 0.00 54.97 56.28 1iq8 s GLU 462 Cb -0.16 -3.20 -0.02 0.00 0.10 0.00 0.00 34.13 30.85 1iq8 s GLU 462 CO 0.05 0.52 -0.09 -0.51 0.02 0.00 0.00 175.26 175.24 1iq8 s LEU 463 N -1.30 2.97 0.00 1.80 1.43 -1.26 -0.77 118.68 121.55 1iq8 s LEU 463 Ca 0.39 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 1iq8 s LEU 463 Cb -0.23 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1iq8 s LEU 463 CO 0.27 0.27 0.00 -1.54 0.23 0.00 0.00 176.35 175.58 1iq8 n SER 464 N 2.86 -0.58 -0.28 2.29 3.41 -0.40 -4.90 113.62 116.01 1iq8 n SER 464 Ca -0.18 -0.64 0.05 0.00 -0.26 0.00 0.00 58.87 57.84 1iq8 n SER 464 Cb 0.53 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.75 1iq8 n SER 464 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1iq8 h LYS 465 N 0.00 0.93 -6.90 4.33 2.10 -2.00 -3.39 116.57 111.63 1iq8 h LYS 465 Ca 0.00 -0.06 -0.49 0.00 -2.00 0.00 0.00 60.65 58.10 1iq8 h LYS 465 Cb 0.00 -0.21 0.03 0.00 -0.90 0.00 0.00 32.23 31.15 1iq8 h LYS 465 CO 0.00 0.61 0.10 0.99 -2.00 0.00 0.00 179.45 179.15 1iq8 s THR 466 N -5.85 4.91 0.00 0.07 2.01 -1.26 -4.91 115.64 110.60 1iq8 s THR 466 Ca -0.11 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.10 1iq8 s THR 466 Cb 0.20 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.86 1iq8 s THR 466 CO 0.79 -0.80 1.28 0.61 -0.69 0.00 0.00 174.62 175.81 1iq8 n GLY 467 N -2.13 1.87 3.76 4.40 0.00 -1.26 -4.83 105.19 106.99 1iq8 n GLY 467 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1iq8 n GLY 467 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1iq8 s MET 468 N 0.40 4.18 0.28 1.61 -1.94 -1.26 -3.84 119.30 118.73 1iq8 s MET 468 Ca 0.00 0.28 -0.29 0.00 -1.71 0.00 0.00 55.69 53.97 1iq8 s MET 468 Cb 0.00 -3.37 -0.10 0.00 2.01 0.00 0.00 34.83 33.37 1iq8 s MET 468 CO 0.00 0.34 1.37 -2.14 -0.01 0.00 0.00 175.02 174.57 1iq8 s PRO 469 N 0.11 4.32 0.00 2.03 0.02 -1.26 -1.28 135.00 138.94 1iq8 s PRO 469 Ca 0.21 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.48 1iq8 s PRO 469 Cb -0.14 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.28 1iq8 s PRO 469 CO 0.08 -0.30 0.00 0.54 -0.33 0.00 0.00 177.00 176.99 1iq8 n ARG 470 N 1.63 0.00 -2.51 5.54 5.12 0.05 -4.55 116.66 121.94 1iq8 n ARG 470 Ca 0.03 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.54 1iq8 n ARG 470 Cb 0.41 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.68 1iq8 n ARG 470 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1iq8 s GLN 471 N 0.51 4.48 -0.33 5.56 2.00 -1.26 -0.67 119.66 129.96 1iq8 s GLN 471 Ca 0.00 1.66 -0.07 0.00 -2.00 0.00 0.00 55.36 54.95 1iq8 s GLN 471 Cb 0.00 -3.38 0.03 0.00 0.80 0.00 0.00 33.01 30.46 1iq8 s GLN 471 CO 0.00 -0.17 0.11 0.08 -0.50 0.00 0.00 175.29 174.81 1iq8 s VAL 472 N 0.96 3.96 0.24 1.34 1.01 -0.30 -0.79 120.40 126.82 1iq8 s VAL 472 Ca 0.56 -0.97 0.09 0.00 0.00 0.00 0.00 61.98 61.66 1iq8 s VAL 472 Cb -0.27 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 1iq8 s VAL 472 CO 0.29 -0.12 -0.15 -0.54 0.00 0.00 0.00 175.10 174.58 1iq8 s LYS 473 N 1.45 1.49 -0.22 2.72 1.02 0.46 -0.29 119.74 126.36 1iq8 s LYS 473 Ca 0.00 -1.68 -0.18 0.00 0.02 0.00 0.00 55.97 54.13 1iq8 s LYS 473 Cb -0.19 -1.36 0.06 0.00 -0.52 0.00 0.00 37.83 35.83 1iq8 s LYS 473 CO 0.03 0.21 0.58 0.54 -0.92 0.00 0.00 175.35 175.79 1iq8 s VAL 474 N -2.81 -0.00 0.00 3.17 0.11 -1.05 0.19 120.40 120.00 1iq8 s VAL 474 Ca 0.26 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.33 1iq8 s VAL 474 Cb -0.02 -0.81 0.00 0.00 -1.53 0.00 0.00 36.38 34.02 1iq8 s VAL 474 CO 0.10 0.01 0.00 -0.46 -3.33 0.00 0.00 175.10 171.42 1iq8 n ASN 475 N 3.31 0.00 0.00 3.54 6.94 -1.26 -3.60 115.26 124.19 1iq8 n ASN 475 Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.40 1iq8 n ASN 475 Cb 0.56 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.98 1iq8 n ASN 475 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1iq8 n GLY 476 N -0.60 0.49 0.00 4.83 0.00 -1.26 -5.12 105.19 103.53 1iq8 n GLY 476 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1iq8 n GLY 476 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1iq8 n LYS 477 N 0.00 2.32 -2.77 1.61 4.81 -1.24 -5.07 118.16 117.83 1iq8 n LYS 477 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.03 1iq8 n LYS 477 Cb 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.00 1iq8 n LYS 477 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1iq8 s ARG 478 N 0.10 4.70 -0.16 1.64 3.00 -1.26 -2.54 118.95 124.43 1iq8 s ARG 478 Ca 0.00 1.41 0.14 0.00 -1.00 0.00 0.00 55.73 56.28 1iq8 s ARG 478 Cb 0.00 -3.36 -0.24 0.00 0.00 0.00 0.00 34.95 31.35 1iq8 s ARG 478 CO 0.00 0.28 0.21 1.28 0.00 0.00 0.00 175.30 177.07 1iq8 n LEU 479 N 2.55 0.57 0.00 -0.88 4.77 0.60 -4.28 117.00 120.33 1iq8 n LEU 479 Ca 0.01 0.10 0.01 0.00 -0.03 0.00 0.00 56.01 56.10 1iq8 n LEU 479 Cb 0.49 0.24 0.01 0.00 -2.33 0.00 0.00 43.42 41.83 1iq8 n LEU 479 CO 0.50 0.52 0.94 0.00 -1.33 0.00 0.00 177.39 178.02 1iq8 n ALA 480 N -2.75 -3.08 -3.45 -1.18 0.00 -1.19 -0.96 120.51 107.90 1iq8 n ALA 480 Ca -0.30 -0.83 -0.12 0.00 0.00 0.00 0.00 53.44 52.19 1iq8 n ALA 480 Cb 1.11 0.28 -0.12 0.00 0.00 0.00 0.00 19.45 20.72 1iq8 n ALA 480 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1iq8 s THR 481 N -2.05 -0.02 -0.18 0.00 2.01 -0.43 -1.15 115.64 113.83 1iq8 s THR 481 Ca 0.26 0.08 -0.29 0.00 0.31 0.00 0.00 61.69 62.04 1iq8 s THR 481 Cb -0.01 -0.38 0.00 0.00 0.01 0.00 0.00 72.50 72.11 1iq8 s THR 481 CO 0.01 0.03 1.03 -0.69 -0.69 0.00 0.00 174.62 174.32 1iq8 s VAL 482 N 0.74 4.70 0.30 3.82 1.01 0.16 -0.49 120.40 130.64 1iq8 s VAL 482 Ca -0.05 2.02 -0.29 0.00 0.00 0.00 0.00 61.98 63.66 1iq8 s VAL 482 Cb -0.06 -4.30 -0.10 0.00 0.00 0.00 0.00 36.38 31.92 1iq8 s VAL 482 CO -0.05 -0.11 1.29 -0.13 0.00 0.00 0.00 175.10 176.10 1iq8 s ARG 483 N 2.75 4.40 0.14 2.72 0.52 0.68 -4.64 118.95 125.52 1iq8 s ARG 483 Ca 0.46 2.14 -0.12 0.00 -0.52 0.00 0.00 55.73 57.69 1iq8 s ARG 483 Cb -0.16 -3.11 -0.01 0.00 0.52 0.00 0.00 34.95 32.19 1iq8 s ARG 483 CO 0.11 -0.15 1.55 0.00 0.02 0.00 0.00 175.30 176.82 1iq8 h ALA 484 N 3.85 0.62 -0.12 2.13 0.00 -1.91 -0.37 119.26 123.46 1iq8 h ALA 484 Ca -0.48 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 53.95 1iq8 h ALA 484 Cb 1.22 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1iq8 h ALA 484 CO 0.68 0.53 -0.52 0.38 0.00 0.00 0.00 179.25 180.33 1iq8 h ASP 485 N 0.72 0.35 0.00 0.00 -0.00 -1.97 -3.38 116.42 112.14 1iq8 h ASP 485 Ca 0.11 -0.18 0.00 0.00 -0.00 0.00 0.00 57.03 56.96 1iq8 h ASP 485 Cb 0.68 -0.10 0.00 0.00 -0.00 0.00 0.00 39.33 39.91 1iq8 h ASP 485 CO 0.05 0.81 0.00 -0.90 -0.00 0.00 0.00 179.24 179.19 1iq8 n ASP 486 N -3.95 0.45 -0.76 4.15 3.85 -1.24 -4.95 116.55 114.10 1iq8 n ASP 486 Ca -0.02 -0.98 -0.10 0.00 -0.71 0.00 0.00 54.79 52.98 1iq8 n ASP 486 Cb 0.56 0.01 -0.04 0.00 -1.35 0.00 0.00 41.12 40.30 1iq8 n ASP 486 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1iq8 n GLY 487 N 0.01 1.08 3.94 6.12 0.00 -0.15 -0.47 105.19 115.72 1iq8 n GLY 487 Ca 0.00 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 1iq8 n GLY 487 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iq8 s LEU 488 N -2.26 3.82 -0.08 0.99 1.43 -1.26 -4.53 118.68 116.78 1iq8 s LEU 488 Ca 0.00 -0.32 -0.19 0.00 -1.03 0.00 0.00 54.13 52.59 1iq8 s LEU 488 Cb 0.00 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 1iq8 s LEU 488 CO 0.00 -0.42 0.54 -0.76 0.23 0.00 0.00 176.35 175.94 1iq8 s LEU 489 N -4.12 4.32 -0.32 1.79 1.43 -1.26 -0.23 118.68 120.29 1iq8 s LEU 489 Ca 0.44 0.96 -0.13 0.00 -1.03 0.00 0.00 54.13 54.37 1iq8 s LEU 489 Cb -0.08 -2.81 -0.02 0.00 0.03 0.00 0.00 46.19 43.31 1iq8 s LEU 489 CO 0.30 0.01 0.25 -0.89 0.23 0.00 0.00 176.35 176.25 1iq8 s THR 490 N 0.44 5.27 0.35 5.49 2.01 0.36 -4.88 115.64 124.67 1iq8 s THR 490 Ca 0.29 -0.06 -0.27 0.00 0.31 0.00 0.00 61.69 61.96 1iq8 s THR 490 Cb -0.16 -3.69 -0.09 0.00 0.01 0.00 0.00 72.50 68.56 1iq8 s THR 490 CO 0.13 0.04 1.12 -0.76 -0.69 0.00 0.00 174.62 174.46 1iq8 s LEU 491 N 1.79 4.34 0.36 4.42 1.43 -1.26 -1.31 118.68 128.45 1iq8 s LEU 491 Ca 0.08 2.26 0.07 0.00 -1.03 0.00 0.00 54.13 55.50 1iq8 s LEU 491 Cb -0.17 -3.88 -0.00 0.00 0.03 0.00 0.00 46.19 42.16 1iq8 s LEU 491 CO 0.11 -0.41 0.49 -0.83 0.23 0.00 0.00 176.35 175.94 1iq8 s GLY 492 N -1.11 1.72 0.27 -3.19 0.00 -0.13 -4.90 107.32 99.98 1iq8 s GLY 492 Ca 0.52 -1.54 -0.03 0.00 0.00 0.00 0.00 44.72 43.67 1iq8 s GLY 492 CO 0.38 -1.42 1.87 1.19 0.00 0.00 0.00 173.10 175.12 1iq8 h ILE 493 N 0.83 1.23 -0.21 0.90 -0.00 -1.82 -0.90 117.51 117.54 1iq8 h ILE 493 Ca -0.44 -0.64 -0.08 0.00 -0.00 0.00 0.00 64.86 63.71 1iq8 h ILE 493 Cb 1.26 0.31 -0.01 0.00 -0.00 0.00 0.00 36.82 38.38 1iq8 h ILE 493 CO 0.51 0.27 -0.20 -0.08 -0.00 0.00 0.00 178.15 178.65 1iq8 h GLU 494 N 1.02 0.36 -0.28 2.19 4.57 -1.84 -1.60 114.58 119.01 1iq8 h GLU 494 Ca 0.25 -0.11 -0.15 0.00 -1.18 0.00 0.00 59.36 58.17 1iq8 h GLU 494 Cb 0.10 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1iq8 h GLU 494 CO -0.03 0.56 -0.42 0.78 -1.18 0.00 0.00 179.01 178.71 1iq8 h GLY 495 N 0.94 0.74 1.43 1.92 0.00 -1.00 -2.66 103.07 104.45 1iq8 h GLY 495 Ca 0.06 -0.77 -0.07 0.00 0.00 0.00 0.00 47.33 46.55 1iq8 h GLY 495 CO 0.04 0.69 -0.01 0.00 0.00 0.00 0.00 176.54 177.26 1iq8 h ALA 496 N 0.97 1.18 -0.57 3.60 0.00 -0.65 -1.97 119.26 121.82 1iq8 h ALA 496 Ca 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1iq8 h ALA 496 Cb 0.96 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1iq8 h ALA 496 CO 0.09 0.53 0.31 0.87 0.00 0.00 0.00 179.25 181.05 1iq8 h LYS 497 N 0.66 0.80 -0.41 0.00 1.57 -1.06 -0.81 116.57 117.31 1iq8 h LYS 497 Ca 0.13 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1iq8 h LYS 497 Cb 0.42 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1iq8 h LYS 497 CO 0.02 0.61 0.06 0.00 -0.57 0.00 0.00 179.45 179.57 1iq8 h ARG 498 N 0.77 0.69 -0.09 3.15 3.08 -1.13 -2.40 114.38 118.45 1iq8 h ARG 498 Ca 0.20 -0.19 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1iq8 h ARG 498 Cb 0.05 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1iq8 h ARG 498 CO -0.03 0.74 -0.29 -0.07 -1.07 0.00 0.00 179.97 179.25 1iq8 h LEU 499 N 0.54 0.16 -0.31 3.04 -0.00 -1.24 -0.80 115.31 116.70 1iq8 h LEU 499 Ca 0.12 -0.05 -0.03 0.00 -0.00 0.00 0.00 57.88 57.93 1iq8 h LEU 499 Cb 0.39 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 40.99 1iq8 h LEU 499 CO 0.01 0.45 0.09 -0.74 -0.00 0.00 0.00 178.44 178.25 1iq8 h HIS 500 N 0.15 0.50 -0.03 1.13 2.76 -0.82 0.11 115.15 118.94 1iq8 h HIS 500 Ca 0.02 -0.05 -0.22 0.00 -2.20 0.00 0.00 60.37 57.92 1iq8 h HIS 500 Cb 0.59 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.41 1iq8 h HIS 500 CO 0.01 0.52 -0.88 0.07 -1.30 0.00 0.00 177.93 176.35 1iq8 h ARG 501 N 0.34 0.45 -0.24 5.26 0.11 -1.28 -3.34 114.38 115.68 1iq8 h ARG 501 Ca 0.10 -0.44 -0.14 0.00 0.10 0.00 0.00 59.98 59.60 1iq8 h ARG 501 Cb 0.26 0.11 -0.00 0.00 1.11 0.00 0.00 29.97 31.46 1iq8 h ARG 501 CO -0.00 1.09 -0.40 0.28 0.10 0.00 0.00 179.97 181.04 1iq8 h VAL 502 N 0.27 1.31 -3.02 0.08 2.07 -1.06 -3.44 116.25 112.47 1iq8 h VAL 502 Ca -0.07 -1.60 -0.62 0.00 0.82 0.00 0.00 66.70 65.23 1iq8 h VAL 502 Cb 1.50 1.73 -0.08 0.00 -1.52 0.00 0.00 31.29 32.92 1iq8 h VAL 502 CO 0.15 0.51 -0.34 -0.76 0.02 0.00 0.00 177.57 177.15 1iq8 s LEU 503 N -8.82 4.35 0.17 2.57 1.43 0.37 -4.98 118.68 113.78 1iq8 s LEU 503 Ca -0.12 0.61 -0.30 0.00 -1.03 0.00 0.00 54.13 53.29 1iq8 s LEU 503 Cb 0.08 -2.33 -0.07 0.00 0.03 0.00 0.00 46.19 43.90 1iq8 s LEU 503 CO 0.84 0.26 1.10 -2.16 0.23 0.00 0.00 176.35 176.63 1iq8 s PRO 504 N -0.43 4.59 0.34 1.29 0.04 -1.26 -4.73 135.00 134.83 1iq8 s PRO 504 Ca 0.18 1.71 -0.25 0.00 0.04 0.00 0.00 61.00 62.68 1iq8 s PRO 504 Cb -0.14 -3.28 -0.13 0.00 0.04 0.00 0.00 34.50 30.99 1iq8 s PRO 504 CO 0.06 0.06 0.75 0.98 0.04 0.00 0.00 177.00 178.90 1iq8 n TYR 505 N 2.45 0.30 -0.61 0.56 9.36 -1.26 -1.69 117.16 126.27 1iq8 n TYR 505 Ca 0.03 0.69 -0.00 0.00 3.32 0.00 0.00 57.90 61.93 1iq8 n TYR 505 Cb 0.46 -2.10 0.29 0.00 -0.63 0.00 0.00 39.34 37.36 1iq8 n TYR 505 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1iq8 n PRO 506 N 0.64 3.67 -1.68 2.98 -0.04 -1.26 -5.13 135.00 134.18 1iq8 n PRO 506 Ca 0.12 -2.54 -0.47 0.00 -0.04 0.00 0.00 63.50 60.57 1iq8 n PRO 506 Cb 0.35 -2.09 -0.04 0.00 -0.04 0.00 0.00 33.50 31.68 1iq8 n PRO 506 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1iq8 n ARG 507 N 0.19 2.28 -0.86 0.54 1.74 -0.68 -1.56 116.66 118.31 1iq8 n ARG 507 Ca 0.29 0.83 0.00 0.00 -0.77 0.00 0.00 57.85 58.20 1iq8 n ARG 507 Cb 1.13 -2.67 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 1iq8 n ARG 507 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1iq8 n MET 508 N 5.83 -0.68 -3.06 5.56 2.81 -1.26 -4.90 117.12 121.42 1iq8 n MET 508 Ca 0.21 0.17 -0.36 0.00 -1.81 0.00 0.00 57.70 55.90 1iq8 n MET 508 Cb 0.31 -4.02 -0.06 0.00 -0.71 0.00 0.00 33.22 28.73 1iq8 n MET 508 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1iq8 s ARG 509 N -0.97 4.30 -0.26 0.03 3.00 -0.60 0.29 118.95 124.74 1iq8 s ARG 509 Ca 0.00 0.93 -0.01 0.00 0.00 0.00 0.00 55.73 56.65 1iq8 s ARG 509 Cb 0.00 -2.88 0.08 0.00 0.00 0.00 0.00 34.95 32.15 1iq8 s ARG 509 CO 0.00 0.39 0.05 0.14 0.00 0.00 0.00 175.30 175.88 1iq8 s VAL 510 N -1.52 0.95 -0.22 3.52 -7.23 -0.16 -1.37 120.40 114.38 1iq8 s VAL 510 Ca 0.44 -1.16 -0.20 0.00 -1.81 0.00 0.00 61.98 59.24 1iq8 s VAL 510 Cb -0.17 -1.55 -0.02 0.00 0.56 0.00 0.00 36.38 35.20 1iq8 s VAL 510 CO 0.21 -0.43 0.61 -0.69 -0.31 0.00 0.00 175.10 174.49 1iq8 s VAL 511 N 1.62 5.02 0.35 1.32 1.01 0.11 -0.51 120.40 129.32 1iq8 s VAL 511 Ca 0.04 1.12 0.08 0.00 0.00 0.00 0.00 61.98 63.21 1iq8 s VAL 511 Cb -0.18 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 1iq8 s VAL 511 CO -0.16 0.09 0.28 0.68 0.00 0.00 0.00 175.10 175.99 1iq8 s VAL 512 N 2.07 3.36 1.20 2.92 -7.23 -0.06 -1.39 120.40 121.27 1iq8 s VAL 512 Ca 0.27 -1.42 -0.13 0.00 -1.81 0.00 0.00 61.98 58.89 1iq8 s VAL 512 Cb -0.16 -3.13 0.30 0.00 0.56 0.00 0.00 36.38 33.95 1iq8 s VAL 512 CO 0.10 -0.16 1.02 0.20 -0.31 0.00 0.00 175.10 175.95 1iq8 s ASN 513 N -3.99 0.70 0.17 4.85 0.01 0.75 -4.35 114.94 113.08 1iq8 s ASN 513 Ca 0.41 1.50 0.06 0.00 -0.71 0.00 0.00 52.86 54.12 1iq8 s ASN 513 Cb -0.05 -2.31 -0.01 0.00 0.41 0.00 0.00 41.25 39.28 1iq8 s ASN 513 CO 0.26 -4.37 1.38 0.11 -1.51 0.00 0.00 177.10 172.97 1iq8 h LYS 514 N -2.74 0.08 -0.47 -0.60 6.56 -2.00 -2.05 116.57 115.35 1iq8 h LYS 514 Ca -0.63 -0.10 -0.02 0.00 -1.06 0.00 0.00 60.65 58.84 1iq8 h LYS 514 Cb 1.34 0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 33.01 1iq8 h LYS 514 CO 0.50 0.91 0.20 1.49 -2.06 0.00 0.00 179.45 180.49 1iq8 h GLU 515 N 0.04 0.69 0.00 3.15 4.81 -1.97 -3.02 114.58 118.29 1iq8 h GLU 515 Ca -0.03 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1iq8 h GLU 515 Cb 1.53 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.80 1iq8 h GLU 515 CO 0.12 0.62 -0.25 0.00 -0.73 0.00 0.00 179.01 178.77 1iq8 h ALA 516 N 1.04 0.84 -0.64 2.92 0.00 -1.91 -3.38 119.26 118.13 1iq8 h ALA 516 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.20 1iq8 h ALA 516 Cb 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.87 1iq8 h ALA 516 CO -0.01 0.00 0.11 1.49 0.00 0.00 0.00 179.25 180.83 1iq8 h GLU 517 N 0.00 0.22 -0.92 0.00 4.81 -1.23 -1.92 114.58 115.54 1iq8 h GLU 517 Ca 0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1iq8 h GLU 517 Cb 0.79 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.08 1iq8 h GLU 517 CO 0.00 0.14 0.52 -1.35 -0.73 0.00 0.00 179.01 177.59 1iq8 h PRO 518 N 0.22 1.27 -0.55 0.92 0.11 -1.75 -2.35 132.00 129.87 1iq8 h PRO 518 Ca 0.34 -0.14 -0.05 0.00 0.11 0.00 0.00 66.00 66.27 1iq8 h PRO 518 Cb 0.54 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 1iq8 h PRO 518 CO -0.46 0.92 0.15 0.74 -0.21 0.00 0.00 178.00 179.13 1iq8 h PHE 519 N 1.28 0.91 -0.57 0.65 -1.00 -1.63 -2.73 116.94 113.84 1iq8 h PHE 519 Ca 0.33 -0.10 -0.01 0.00 2.81 0.00 0.00 57.97 60.99 1iq8 h PHE 519 Cb -0.00 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 39.27 1iq8 h PHE 519 CO 0.01 0.78 0.32 0.00 -1.61 0.00 0.00 178.31 177.80 1iq8 h ALA 520 N 1.02 0.74 -0.16 2.45 0.00 -1.25 -1.58 119.26 120.48 1iq8 h ALA 520 Ca 0.17 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1iq8 h ALA 520 Cb 0.31 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1iq8 h ALA 520 CO -0.00 0.25 0.14 0.00 0.00 0.00 0.00 179.25 179.65 1iq8 h ARG 521 N 0.78 0.00 -0.01 0.00 3.08 -1.14 0.15 114.38 117.24 1iq8 h ARG 521 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1iq8 h ARG 521 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1iq8 h ARG 521 CO -0.03 0.00 -0.12 1.63 -1.07 0.00 0.00 179.97 180.38 1iq8 n LYS 522 N -4.10 0.85 -0.41 0.04 4.01 -0.69 -1.92 118.16 115.94 1iq8 n LYS 522 Ca 0.01 -0.35 0.00 0.00 -0.51 0.00 0.00 58.31 57.46 1iq8 n LYS 522 Cb 0.27 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 33.29 1iq8 n LYS 522 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1iq8 n GLY 523 N 1.26 0.74 3.78 0.72 0.00 0.04 -4.68 105.19 107.05 1iq8 n GLY 523 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1iq8 n GLY 523 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iq8 s LYS 524 N -0.59 2.84 0.82 1.61 -0.14 -0.68 -4.66 119.74 118.93 1iq8 s LYS 524 Ca 0.00 1.30 -0.11 0.00 -1.36 0.00 0.00 55.97 55.80 1iq8 s LYS 524 Cb 0.00 -1.96 0.08 0.00 -1.68 0.00 0.00 37.83 34.27 1iq8 s LYS 524 CO 0.00 -1.20 1.10 -0.51 -0.76 0.00 0.00 175.35 173.98 1iq8 s ASP 525 N -2.79 4.06 -0.21 2.83 1.01 -1.26 -4.39 116.67 115.92 1iq8 s ASP 525 Ca 0.65 1.83 -0.07 0.00 0.71 0.00 0.00 52.55 55.68 1iq8 s ASP 525 Cb -0.19 -2.48 -0.03 0.00 1.01 0.00 0.00 42.92 41.23 1iq8 s ASP 525 CO 0.43 -2.32 0.05 -0.69 0.21 0.00 0.00 175.17 172.85 1iq8 s VAL 526 N -2.86 4.37 0.05 -1.27 1.01 -0.90 -4.80 120.40 116.00 1iq8 s VAL 526 Ca 0.62 -0.17 -0.12 0.00 0.00 0.00 0.00 61.98 62.31 1iq8 s VAL 526 Cb -0.18 -3.00 -0.06 0.00 0.00 0.00 0.00 36.38 33.14 1iq8 s VAL 526 CO 0.57 0.40 0.42 -0.36 0.00 0.00 0.00 175.10 176.13 1iq8 s PHE 527 N 1.03 3.65 0.44 5.22 0.40 -1.26 0.41 117.98 127.86 1iq8 s PHE 527 Ca 0.03 0.90 0.20 0.00 -0.60 0.00 0.00 56.93 57.47 1iq8 s PHE 527 Cb -0.14 -2.23 1.16 0.00 0.51 0.00 0.00 43.02 42.32 1iq8 s PHE 527 CO 0.03 0.56 1.85 0.00 0.70 0.00 0.00 175.22 178.36 1iq8 h ALA 528 N 4.12 2.33 0.00 5.36 0.00 -1.55 -1.90 119.26 127.62 1iq8 h ALA 528 Ca -0.50 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1iq8 h ALA 528 Cb 1.20 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1iq8 h ALA 528 CO 0.64 -0.63 -0.01 1.57 0.00 0.00 0.00 179.25 180.82 1iq8 h LYS 529 N 0.33 0.00 -0.01 0.00 2.10 -1.73 -1.68 116.57 115.57 1iq8 h LYS 529 Ca 0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.13 1iq8 h LYS 529 Cb 1.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1iq8 h LYS 529 CO -0.16 0.01 -0.13 1.19 -2.00 0.00 0.00 179.45 178.36 1iq8 n PHE 530 N -3.90 0.00 -2.85 0.07 3.01 -0.71 -4.84 117.46 108.24 1iq8 n PHE 530 Ca -0.03 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.01 1iq8 n PHE 530 Cb 0.09 -0.05 -0.04 0.00 -0.01 0.00 0.00 39.48 39.48 1iq8 n PHE 530 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1iq8 s VAL 531 N -2.23 4.69 -0.09 -4.37 1.01 -0.64 -0.18 120.40 118.60 1iq8 s VAL 531 Ca 0.31 1.33 0.14 0.00 0.00 0.00 0.00 61.98 63.75 1iq8 s VAL 531 Cb 0.20 -4.24 -0.23 0.00 0.00 0.00 0.00 36.38 32.10 1iq8 s VAL 531 CO 0.42 -0.35 0.50 2.30 0.00 0.00 0.00 175.10 177.97 1iq8 n ILE 532 N 5.68 1.54 -3.60 2.22 -5.35 -0.48 -4.64 119.36 114.72 1iq8 n ILE 532 Ca 0.06 -0.81 -0.12 0.00 -0.27 0.00 0.00 62.75 61.61 1iq8 n ILE 532 Cb 0.48 -0.87 -0.05 0.00 -1.74 0.00 0.00 39.64 37.46 1iq8 n ILE 532 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1iq8 s PHE 533 N -2.57 -0.32 -0.04 4.28 5.36 -1.18 -4.96 117.98 118.55 1iq8 s PHE 533 Ca -0.06 0.19 -0.30 0.00 -0.96 0.00 0.00 56.93 55.81 1iq8 s PHE 533 Cb 0.07 0.31 0.08 0.00 -0.34 0.00 0.00 43.02 43.14 1iq8 s PHE 533 CO 0.83 -0.67 0.74 0.00 -1.46 0.00 0.00 175.22 174.66 1iq8 s ALA 534 N -3.07 -1.78 0.11 11.12 0.00 -1.26 -0.71 121.76 126.17 1iq8 s ALA 534 Ca -0.02 1.23 -0.31 0.00 0.00 0.00 0.00 51.96 52.87 1iq8 s ALA 534 Cb 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 23.12 23.04 1iq8 s ALA 534 CO -0.07 -0.44 1.82 0.34 0.00 0.00 0.00 175.76 177.42 1iq8 s ASP 535 N -1.48 6.44 0.58 0.00 2.15 -0.47 -4.74 116.67 119.16 1iq8 s ASP 535 Ca -0.07 2.73 0.31 0.00 0.43 0.00 0.00 52.55 55.95 1iq8 s ASP 535 Cb -0.00 -2.56 1.81 0.00 -0.30 0.00 0.00 42.92 41.86 1iq8 s ASP 535 CO 0.04 -1.00 2.23 -0.65 -0.17 0.00 0.00 175.17 175.62 1iq8 h PRO 536 N 8.67 0.00 0.00 4.34 0.11 -1.90 -2.26 132.00 140.95 1iq8 h PRO 536 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1iq8 h PRO 536 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1iq8 h PRO 536 CO 0.95 0.03 0.00 0.41 -0.21 0.00 0.00 178.00 179.17 1iq8 n GLY 537 N -1.15 -1.52 3.77 -0.55 0.00 -1.26 -4.45 105.19 100.03 1iq8 n GLY 537 Ca -0.03 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1iq8 n GLY 537 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iq8 s ILE 538 N -3.03 2.39 0.21 -0.61 1.01 -0.85 -4.91 121.20 115.41 1iq8 s ILE 538 Ca 0.12 0.38 0.09 0.00 0.00 0.00 0.00 60.65 61.24 1iq8 s ILE 538 Cb 0.16 -3.24 -0.05 0.00 0.01 0.00 0.00 42.46 39.34 1iq8 s ILE 538 CO 0.53 0.09 -0.16 -0.13 0.00 0.00 0.00 174.94 175.26 1iq8 s ARG 539 N -1.76 1.38 0.22 2.79 3.00 -1.26 -2.01 118.95 121.31 1iq8 s ARG 539 Ca 0.52 -1.58 -0.32 0.00 0.00 0.00 0.00 55.73 54.35 1iq8 s ARG 539 Cb -0.43 -1.28 -0.14 0.00 0.00 0.00 0.00 34.95 33.10 1iq8 s ARG 539 CO 0.57 0.23 1.44 -2.30 0.00 0.00 0.00 175.30 175.24 1iq8 n PRO 540 N -0.28 2.04 -1.04 3.54 -0.02 -1.25 -1.98 135.00 136.01 1iq8 n PRO 540 Ca -0.09 0.73 -0.01 0.00 -2.02 0.00 0.00 63.50 62.11 1iq8 n PRO 540 Cb 0.60 -2.41 -0.01 0.00 -0.02 0.00 0.00 33.50 31.66 1iq8 n PRO 540 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1iq8 n TYR 541 N 2.26 0.00 -1.81 6.00 4.02 0.27 -0.56 117.16 127.33 1iq8 n TYR 541 Ca 0.13 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.71 1iq8 n TYR 541 Cb 0.31 -0.60 0.02 0.00 -0.02 0.00 0.00 39.34 39.05 1iq8 n TYR 541 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1iq8 s ASP 542 N -2.40 6.02 0.15 7.72 1.01 -0.84 -4.66 116.67 123.67 1iq8 s ASP 542 Ca 0.00 1.44 -0.27 0.00 0.71 0.00 0.00 52.55 54.43 1iq8 s ASP 542 Cb 0.00 -2.44 -0.07 0.00 1.01 0.00 0.00 42.92 41.41 1iq8 s ASP 542 CO 0.00 -1.01 0.84 -1.61 0.21 0.00 0.00 175.17 173.60 1iq8 s GLU 543 N -5.17 4.64 0.09 8.23 0.41 -1.26 -0.62 118.70 125.03 1iq8 s GLU 543 Ca 0.56 1.26 0.02 0.00 -0.41 0.00 0.00 54.97 56.41 1iq8 s GLU 543 Cb -0.12 -3.30 -0.04 0.00 -1.78 0.00 0.00 34.13 28.89 1iq8 s GLU 543 CO 0.54 0.45 -0.08 0.54 -0.49 0.00 0.00 175.26 176.22 1iq8 s VAL 544 N -0.76 0.74 -0.32 2.63 0.11 0.68 -4.89 120.40 118.59 1iq8 s VAL 544 Ca 0.39 -1.72 -0.10 0.00 -2.93 0.00 0.00 61.98 57.63 1iq8 s VAL 544 Cb -0.23 -1.42 0.00 0.00 -1.53 0.00 0.00 36.38 33.20 1iq8 s VAL 544 CO 0.28 -0.71 0.16 -0.76 -3.33 0.00 0.00 175.10 170.73 1iq8 s LEU 545 N -2.65 4.21 -0.22 2.54 1.43 0.14 -1.76 118.68 122.38 1iq8 s LEU 545 Ca 0.07 -0.65 -0.27 0.00 -1.03 0.00 0.00 54.13 52.25 1iq8 s LEU 545 Cb 0.01 -1.99 -0.00 0.00 0.03 0.00 0.00 46.19 44.23 1iq8 s LEU 545 CO -0.03 -0.24 0.92 -0.69 0.23 0.00 0.00 176.35 176.55 1iq8 s VAL 546 N 1.59 4.78 0.10 -1.59 1.01 0.96 -0.99 120.40 126.26 1iq8 s VAL 546 Ca 0.04 1.78 0.01 0.00 0.00 0.00 0.00 61.98 63.81 1iq8 s VAL 546 Cb -0.18 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 1iq8 s VAL 546 CO 0.06 -0.09 -0.05 0.54 0.00 0.00 0.00 175.10 175.56 1iq8 s VAL 547 N 2.81 0.62 0.61 2.92 0.11 0.33 -0.11 120.40 127.71 1iq8 s VAL 547 Ca 0.40 -1.93 0.05 0.00 -2.93 0.00 0.00 61.98 57.57 1iq8 s VAL 547 Cb -0.16 -1.72 0.09 0.00 -1.53 0.00 0.00 36.38 33.06 1iq8 s VAL 547 CO 0.08 -0.83 0.85 0.54 -3.33 0.00 0.00 175.10 172.41 1iq8 s ASN 548 N -3.04 4.88 0.58 3.54 2.20 -1.08 -0.88 114.94 121.13 1iq8 s ASN 548 Ca 0.13 -0.61 0.28 0.00 -0.94 0.00 0.00 52.86 51.72 1iq8 s ASN 548 Cb 0.06 0.07 1.53 0.00 -2.00 0.00 0.00 41.25 40.90 1iq8 s ASN 548 CO -0.04 -1.48 1.99 -0.33 -2.94 0.00 0.00 177.10 174.30 1iq8 h GLU 549 N -0.04 0.00 -0.08 3.55 5.08 -1.93 0.23 114.58 121.38 1iq8 h GLU 549 Ca -0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1iq8 h GLU 549 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1iq8 h GLU 549 CO 0.41 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.51 1iq8 n ASN 550 N -3.88 0.79 -3.06 1.42 3.02 -1.26 -4.88 115.26 107.40 1iq8 n ASN 550 Ca 0.06 -1.60 -0.21 0.00 -0.03 0.00 0.00 54.58 52.81 1iq8 n ASN 550 Cb 0.53 -0.05 0.06 0.00 -0.61 0.00 0.00 39.78 39.70 1iq8 n ASN 550 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1iq8 n ASP 551 N -0.25 -5.77 -4.73 6.41 4.64 0.80 -4.99 116.55 112.66 1iq8 n ASP 551 Ca 0.14 -0.41 -0.37 0.00 -1.38 0.00 0.00 54.79 52.77 1iq8 n ASP 551 Cb 0.18 -4.44 -0.07 0.00 -1.04 0.00 0.00 41.12 35.75 1iq8 n ASP 551 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 1iq8 s GLU 552 N -6.00 4.26 0.24 -0.67 2.02 -1.25 -4.87 118.70 112.43 1iq8 s GLU 552 Ca 0.45 0.19 -0.31 0.00 0.02 0.00 0.00 54.97 55.32 1iq8 s GLU 552 Cb -0.20 -3.42 -0.12 0.00 0.10 0.00 0.00 34.13 30.50 1iq8 s GLU 552 CO 0.56 0.24 1.68 -0.11 0.02 0.00 0.00 175.26 177.65 1iq8 n LEU 553 N 3.52 4.19 -0.03 1.80 0.00 -1.26 -2.65 117.00 122.57 1iq8 n LEU 553 Ca -0.11 1.09 -0.04 0.00 0.00 0.00 0.00 56.01 56.95 1iq8 n LEU 553 Cb 0.52 -1.59 -0.03 0.00 0.00 0.00 0.00 43.42 42.32 1iq8 n LEU 553 CO 0.40 0.20 -0.72 0.18 0.00 0.00 0.00 177.39 177.45 1iq8 n LEU 554 N 3.26 2.42 -3.75 -1.96 4.77 0.85 -4.81 117.00 117.79 1iq8 n LEU 554 Ca 0.13 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1iq8 n LEU 554 Cb 0.36 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1iq8 n LEU 554 CO 0.64 0.52 0.97 0.00 -1.33 0.00 0.00 177.39 178.19 1iq8 s ALA 555 N -2.14 -2.08 0.05 -1.18 0.00 -1.06 0.11 121.76 115.47 1iq8 s ALA 555 Ca -0.08 0.31 0.06 0.00 0.00 0.00 0.00 51.96 52.26 1iq8 s ALA 555 Cb 0.02 0.57 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 1iq8 s ALA 555 CO 0.17 -1.07 -0.18 -0.08 0.00 0.00 0.00 175.76 174.60 1iq8 s THR 556 N -2.48 1.45 0.00 0.00 -1.32 -0.07 -0.03 115.64 113.19 1iq8 s THR 556 Ca 0.18 -1.19 0.00 0.00 -1.21 0.00 0.00 61.69 59.46 1iq8 s THR 556 Cb 0.02 -1.29 0.00 0.00 -1.51 0.00 0.00 72.50 69.71 1iq8 s THR 556 CO -0.01 0.06 0.00 0.61 -2.21 0.00 0.00 174.62 173.08 1iq8 n GLY 557 N 1.70 2.44 3.19 6.08 0.00 -0.72 -1.23 105.19 116.65 1iq8 n GLY 557 Ca -0.18 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 1iq8 n GLY 557 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1iq8 s GLN 558 N 0.37 2.69 0.43 1.61 0.74 0.01 -0.23 119.66 125.28 1iq8 s GLN 558 Ca 0.00 -0.80 -0.23 0.00 0.05 0.00 0.00 55.36 54.38 1iq8 s GLN 558 Cb 0.00 -2.10 -0.09 0.00 1.10 0.00 0.00 33.01 31.92 1iq8 s GLN 558 CO 0.00 0.20 1.06 0.00 -0.55 0.00 0.00 175.29 176.00 1iq8 s ALA 559 N 0.28 3.01 -0.10 1.58 0.00 0.21 -0.55 121.76 126.19 1iq8 s ALA 559 Ca -0.15 0.71 0.08 0.00 0.00 0.00 0.00 51.96 52.60 1iq8 s ALA 559 Cb -0.17 -3.28 -0.12 0.00 0.00 0.00 0.00 23.12 19.55 1iq8 s ALA 559 CO 0.07 -0.30 0.22 1.28 0.00 0.00 0.00 175.76 177.02 1iq8 n LEU 560 N -0.36 0.09 -4.42 0.00 4.77 -0.64 0.94 117.00 117.39 1iq8 n LEU 560 Ca 0.06 -0.12 -0.21 0.00 -0.03 0.00 0.00 56.01 55.71 1iq8 n LEU 560 Cb 0.50 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 1iq8 n LEU 560 CO 0.44 0.02 -0.35 -0.76 -1.33 0.00 0.00 177.39 175.41 1iq8 s LEU 561 N -3.27 2.43 0.79 2.23 1.43 -1.25 -4.69 118.68 116.34 1iq8 s LEU 561 Ca -0.02 -1.21 -0.11 0.00 -1.03 0.00 0.00 54.13 51.76 1iq8 s LEU 561 Cb 0.05 -0.57 0.07 0.00 0.03 0.00 0.00 46.19 45.77 1iq8 s LEU 561 CO 0.34 -0.39 1.09 -0.94 0.23 0.00 0.00 176.35 176.68 1iq8 s SER 562 N -3.43 4.50 0.15 2.29 1.04 -1.26 -3.96 113.70 113.03 1iq8 s SER 562 Ca 0.30 1.40 -0.18 0.00 0.48 0.00 0.00 55.95 57.95 1iq8 s SER 562 Cb 0.04 -2.15 0.04 0.00 0.10 0.00 0.00 66.02 64.06 1iq8 s SER 562 CO 0.12 -1.98 1.69 1.23 0.98 0.00 0.00 173.24 175.29 1iq8 h GLY 563 N -1.09 0.26 0.76 7.32 0.00 -1.52 -1.80 103.07 106.99 1iq8 h GLY 563 Ca -0.47 0.07 0.06 0.00 0.00 0.00 0.00 47.33 46.99 1iq8 h GLY 563 CO 0.58 -0.10 0.60 -0.09 0.00 0.00 0.00 176.54 177.53 1iq8 h ARG 564 N 0.04 1.07 -0.57 4.80 2.43 -1.81 -2.38 114.38 117.96 1iq8 h ARG 564 Ca 0.15 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 1iq8 h ARG 564 Cb 0.22 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 1iq8 h ARG 564 CO -0.29 0.71 0.11 0.93 -1.51 0.00 0.00 179.97 179.92 1iq8 h GLU 565 N 1.10 0.90 -0.37 0.20 5.08 -1.72 -2.50 114.58 117.27 1iq8 h GLU 565 Ca 0.40 -0.21 0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1iq8 h GLU 565 Cb 0.14 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1iq8 h GLU 565 CO -0.16 0.83 0.25 0.52 -1.00 0.00 0.00 179.01 179.44 1iq8 h MET 566 N 0.86 0.33 -0.05 2.33 2.86 -0.81 -0.59 114.93 119.86 1iq8 h MET 566 Ca 0.18 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.76 1iq8 h MET 566 Cb 0.36 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1iq8 h MET 566 CO 0.01 0.22 -0.12 0.82 1.06 0.00 0.00 176.91 178.90 1iq8 h ILE 567 N 0.34 1.44 -0.06 -1.22 2.04 -1.40 -3.37 117.51 115.29 1iq8 h ILE 567 Ca 0.16 -1.49 -0.06 0.00 1.00 0.00 0.00 64.86 64.46 1iq8 h ILE 567 Cb 0.19 2.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 1iq8 h ILE 567 CO -0.03 0.41 -0.21 0.58 0.00 0.00 0.00 178.15 178.90 1iq8 h VAL 568 N -0.37 1.43 -3.64 1.67 2.07 -1.30 -3.46 116.25 112.65 1iq8 h VAL 568 Ca -0.00 -1.60 -0.55 0.00 0.82 0.00 0.00 66.70 65.37 1iq8 h VAL 568 Cb 0.72 2.30 0.11 0.00 -1.52 0.00 0.00 31.29 32.91 1iq8 h VAL 568 CO 0.03 0.45 0.63 0.49 0.02 0.00 0.00 177.57 179.19 1iq8 n PHE 569 N -4.54 2.60 0.14 1.57 3.01 -0.26 -4.91 117.46 115.08 1iq8 n PHE 569 Ca -0.08 0.49 0.02 0.00 1.01 0.00 0.00 57.45 58.89 1iq8 n PHE 569 Cb 0.43 -2.47 0.01 0.00 -0.01 0.00 0.00 39.48 37.45 1iq8 n PHE 569 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1iq8 n GLN 570 N 0.40 -0.25 -4.14 -1.08 1.13 -1.26 -3.89 117.38 108.28 1iq8 n GLN 570 Ca 0.03 -0.68 -0.11 0.00 -1.94 0.00 0.00 57.00 54.31 1iq8 n GLN 570 Cb 0.38 -1.05 -0.10 0.00 0.11 0.00 0.00 30.24 29.58 1iq8 n GLN 570 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 1iq8 s TYR 571 N -0.33 0.82 0.00 1.08 1.51 -1.26 -4.21 117.35 114.97 1iq8 s TYR 571 Ca 0.04 -0.82 0.00 0.00 -1.01 0.00 0.00 57.07 55.28 1iq8 s TYR 571 Cb 0.03 -0.48 0.00 0.00 -0.11 0.00 0.00 41.96 41.40 1iq8 s TYR 571 CO 0.05 -0.14 0.00 0.41 -1.11 0.00 0.00 175.55 174.75 1iq8 n GLY 572 N 0.33 -1.09 3.77 0.71 0.00 -1.26 -4.66 105.19 102.98 1iq8 n GLY 572 Ca -0.15 -1.62 -0.39 0.00 0.00 0.00 0.00 46.02 43.85 1iq8 n GLY 572 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1iq8 s ARG 573 N -2.21 4.45 -0.16 1.61 3.52 -1.26 -1.56 118.95 123.34 1iq8 s ARG 573 Ca 0.00 1.00 -0.09 0.00 -0.13 0.00 0.00 55.73 56.50 1iq8 s ARG 573 Cb 0.00 -3.31 -0.23 0.00 -1.56 0.00 0.00 34.95 29.85 1iq8 s ARG 573 CO 0.00 0.43 0.23 0.00 -0.81 0.00 0.00 175.30 175.14 1iq8 n ALA 574 N 2.29 0.94 -3.10 6.12 0.00 0.17 -4.68 120.51 122.25 1iq8 n ALA 574 Ca -0.05 -0.65 -0.15 0.00 0.00 0.00 0.00 53.44 52.59 1iq8 n ALA 574 Cb 0.50 -0.55 -0.15 0.00 0.00 0.00 0.00 19.45 19.26 1iq8 n ALA 574 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1iq8 s VAL 575 N -2.51 0.16 -0.48 0.00 1.01 -0.84 -1.62 120.40 116.12 1iq8 s VAL 575 Ca -0.26 -0.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.51 1iq8 s VAL 575 Cb 0.07 -0.18 0.05 0.00 0.00 0.00 0.00 36.38 36.33 1iq8 s VAL 575 CO 0.70 0.08 0.53 -0.75 0.00 0.00 0.00 175.10 175.65 1iq8 s LYS 576 N 0.28 3.08 -0.01 2.72 2.20 0.28 -2.11 119.74 126.18 1iq8 s LYS 576 Ca -0.02 -0.99 -0.30 0.00 -0.36 0.00 0.00 55.97 54.30 1iq8 s LYS 576 Cb -0.05 -4.08 -0.03 0.00 -1.51 0.00 0.00 37.83 32.16 1iq8 s LYS 576 CO -0.01 -1.10 1.07 0.08 -0.36 0.00 0.00 175.35 175.04 1iq8 s VAL 577 N 2.26 4.56 -0.09 4.02 1.01 -1.26 -0.81 120.40 130.09 1iq8 s VAL 577 Ca 0.12 1.84 -0.13 0.00 0.00 0.00 0.00 61.98 63.81 1iq8 s VAL 577 Cb -0.20 -4.18 -0.28 0.00 0.00 0.00 0.00 36.38 31.72 1iq8 s VAL 577 CO 0.11 0.10 0.56 0.03 0.00 0.00 0.00 175.10 175.89 1iq8 h ARG 578 N 6.95 0.30 -1.97 2.72 3.08 -1.45 -3.46 114.38 120.54 1iq8 h ARG 578 Ca -0.38 -0.51 -0.03 0.00 0.07 0.00 0.00 59.98 59.12 1iq8 h ARG 578 Cb 1.20 0.19 -0.21 0.00 0.08 0.00 0.00 29.97 31.22 1iq8 h ARG 578 CO 0.80 1.25 0.15 0.21 -1.07 0.00 0.00 179.97 181.31 1iq8 s LYS 579 N -2.53 0.81 0.25 0.04 2.20 -1.08 -5.02 119.74 114.41 1iq8 s LYS 579 Ca -0.19 0.97 0.01 0.00 -0.36 0.00 0.00 55.97 56.40 1iq8 s LYS 579 Cb 0.05 0.39 -0.04 0.00 -1.51 0.00 0.00 37.83 36.73 1iq8 s LYS 579 CO 0.80 -0.10 0.42 0.20 -0.36 0.00 0.00 175.35 176.30 1iq8 s GLY 580 N 0.38 1.51 0.56 5.54 0.00 -1.26 -0.90 107.32 113.15 1iq8 s GLY 580 Ca 0.00 -0.97 0.37 0.00 0.00 0.00 0.00 44.72 44.12 1iq8 s GLY 580 CO 0.00 -0.95 2.14 -2.08 0.00 0.00 0.00 173.10 172.22 1iq8 h VAL 581 N 1.24 0.00 -0.01 1.40 2.07 0.76 -3.45 116.25 118.25 1iq8 h VAL 581 Ca -0.50 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1iq8 h VAL 581 Cb 1.21 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1iq8 h VAL 581 CO 0.64 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 177.61