#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xq9 n THR 11 N 0.00 0.00 -1.46 1.09 -2.24 -1.26 -4.73 114.28 105.67 1xq9 n THR 11 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1xq9 n THR 11 Cb 0.00 -0.68 -0.00 0.00 -2.10 0.00 0.00 70.33 67.54 1xq9 n THR 11 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1xq9 n TYR 12 N -0.14 -1.30 -4.06 4.78 0.53 -1.26 -4.17 117.16 111.53 1xq9 n TYR 12 Ca 0.00 0.77 -0.32 0.00 -1.02 0.00 0.00 57.90 57.34 1xq9 n TYR 12 Cb 0.00 -2.43 -0.16 0.00 -1.03 0.00 0.00 39.34 35.72 1xq9 n TYR 12 CO 0.00 0.00 0.00 0.99 -1.02 0.00 0.00 176.86 176.83 1xq9 s THR 13 N -0.17 1.85 -0.15 -0.72 2.01 -1.26 -2.35 115.64 114.85 1xq9 s THR 13 Ca -0.02 -0.92 -0.03 0.00 0.31 0.00 0.00 61.69 61.03 1xq9 s THR 13 Cb 0.00 -1.76 -0.02 0.00 0.01 0.00 0.00 72.50 70.73 1xq9 s THR 13 CO 0.05 0.40 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.10 1xq9 s LEU 14 N 1.35 3.12 -0.10 4.42 2.96 0.36 -4.39 118.68 126.41 1xq9 s LEU 14 Ca 0.03 -0.18 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 1xq9 s LEU 14 Cb -0.14 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 1xq9 s LEU 14 CO -0.11 0.16 -0.08 0.54 -1.32 0.00 0.00 176.35 175.54 1xq9 s VAL 15 N 0.40 3.54 -0.13 1.68 0.11 -1.01 0.46 120.40 125.45 1xq9 s VAL 15 Ca -0.05 -0.52 -0.02 0.00 -2.93 0.00 0.00 61.98 58.45 1xq9 s VAL 15 Cb -0.15 -2.47 -0.03 0.00 -1.53 0.00 0.00 36.38 32.21 1xq9 s VAL 15 CO 0.03 0.56 -0.05 -0.76 -3.33 0.00 0.00 175.10 171.55 1xq9 s LEU 16 N -0.33 3.18 -0.12 2.54 1.02 -0.21 -0.67 118.68 124.09 1xq9 s LEU 16 Ca 0.04 -0.12 0.00 0.00 0.02 0.00 0.00 54.13 54.08 1xq9 s LEU 16 Cb -0.13 -1.74 0.02 0.00 0.02 0.00 0.00 46.19 44.36 1xq9 s LEU 16 CO 0.02 0.22 -0.12 -0.22 0.02 0.00 0.00 176.35 176.28 1xq9 s LEU 17 N 0.06 1.49 -0.20 1.79 2.96 0.05 -0.16 118.68 124.67 1xq9 s LEU 17 Ca -0.01 -0.39 -0.14 0.00 -0.22 0.00 0.00 54.13 53.37 1xq9 s LEU 17 Cb -0.14 -1.00 -0.04 0.00 0.50 0.00 0.00 46.19 45.51 1xq9 s LEU 17 CO 0.03 -0.06 0.30 -0.60 -1.32 0.00 0.00 176.35 174.70 1xq9 s ARG 18 N 1.42 4.17 0.48 1.98 3.52 -1.26 -0.37 118.95 128.89 1xq9 s ARG 18 Ca 0.01 0.04 -0.22 0.00 -0.13 0.00 0.00 55.73 55.43 1xq9 s ARG 18 Cb -0.13 -3.51 -0.09 0.00 -1.56 0.00 0.00 34.95 29.66 1xq9 s ARG 18 CO -0.07 0.06 1.02 -2.39 -0.81 0.00 0.00 175.30 173.11 1xq9 n HIS 19 N 4.19 1.15 -0.55 5.12 1.44 -0.45 -2.49 115.22 123.62 1xq9 n HIS 19 Ca -0.11 0.51 -0.30 0.00 -2.01 0.00 0.00 57.72 55.80 1xq9 n HIS 19 Cb 0.52 -2.21 0.28 0.00 0.12 0.00 0.00 29.99 28.69 1xq9 n HIS 19 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1xq9 s GLY 20 N -0.88 1.46 0.71 -1.39 0.00 -1.26 -4.67 107.32 101.29 1xq9 s GLY 20 Ca 0.67 -0.84 -0.16 0.00 0.00 0.00 0.00 44.72 44.39 1xq9 s GLY 20 CO 0.54 0.14 1.17 -1.84 0.00 0.00 0.00 173.10 173.10 1xq9 n GLU 21 N -5.42 0.69 -2.30 2.90 0.28 -1.26 -4.80 120.64 110.73 1xq9 n GLU 21 Ca 0.13 0.30 -0.22 0.00 -0.16 0.00 0.00 57.16 57.20 1xq9 n GLU 21 Cb 0.60 -2.41 0.12 0.00 1.43 0.00 0.00 31.44 31.18 1xq9 n GLU 21 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1xq9 n SER 22 N -2.16 1.07 0.25 -1.84 3.41 -1.26 -2.01 113.62 111.09 1xq9 n SER 22 Ca 0.14 -1.96 0.17 0.00 -0.26 0.00 0.00 58.87 56.97 1xq9 n SER 22 Cb 0.49 -0.64 0.78 0.00 -0.26 0.00 0.00 64.21 64.58 1xq9 n SER 22 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1xq9 h THR 23 N -0.75 0.00 -0.01 6.66 1.35 -1.62 -3.14 112.91 115.41 1xq9 h THR 23 Ca -0.32 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1xq9 h THR 23 Cb 1.11 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1xq9 h THR 23 CO 0.32 0.00 -0.20 0.79 -0.25 0.00 0.00 175.52 176.17 1xq9 n TRP 24 N -2.79 0.00 0.08 4.73 7.02 -1.26 -3.72 117.44 121.49 1xq9 n TRP 24 Ca -0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.43 1xq9 n TRP 24 Cb 0.18 -0.13 0.14 0.00 -2.42 0.00 0.00 31.31 29.08 1xq9 n TRP 24 CO 0.00 0.00 0.00 -0.97 -2.02 0.00 0.00 177.69 174.70 1xq9 h ASN 25 N 1.09 0.30 0.42 -0.99 -1.24 -1.81 -0.74 115.58 112.61 1xq9 h ASN 25 Ca 0.00 -0.16 -0.13 0.00 0.71 0.00 0.00 56.30 56.71 1xq9 h ASN 25 Cb 0.47 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.41 1xq9 h ASN 25 CO 0.00 0.80 -0.57 0.50 -1.29 0.00 0.00 177.43 176.87 1xq9 h LYS 26 N 0.21 0.16 -0.02 6.67 3.64 -1.78 -2.97 116.57 122.47 1xq9 h LYS 26 Ca 0.00 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1xq9 h LYS 26 Cb 1.04 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1xq9 h LYS 26 CO 0.09 0.69 -0.01 0.39 -2.27 0.00 0.00 179.45 178.34 1xq9 n GLU 27 N -3.88 1.96 -3.86 1.90 1.02 -1.10 -4.95 120.64 111.72 1xq9 n GLU 27 Ca -0.02 -1.40 -0.30 0.00 -0.02 0.00 0.00 57.16 55.42 1xq9 n GLU 27 Cb 0.59 -1.47 -0.00 0.00 -0.02 0.00 0.00 31.44 30.54 1xq9 n GLU 27 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xq9 n ASN 28 N 0.70 -4.00 -4.73 1.62 3.02 -0.44 -4.76 115.26 106.67 1xq9 n ASN 28 Ca 0.17 -0.75 -0.36 0.00 -0.03 0.00 0.00 54.58 53.61 1xq9 n ASN 28 Cb 0.47 -3.25 -0.07 0.00 -0.61 0.00 0.00 39.78 36.31 1xq9 n ASN 28 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1xq9 s LYS 29 N -6.55 4.20 0.10 3.52 1.02 -0.42 -1.40 119.74 120.21 1xq9 s LYS 29 Ca 0.62 -0.03 -0.31 0.00 0.02 0.00 0.00 55.97 56.27 1xq9 s LYS 29 Cb -0.33 -3.41 -0.07 0.00 -0.52 0.00 0.00 37.83 33.50 1xq9 s LYS 29 CO 0.76 0.29 1.33 -0.06 -0.92 0.00 0.00 175.35 176.75 1xq9 s PHE 30 N 0.36 3.30 -0.22 3.18 0.08 -0.43 -4.67 117.98 119.58 1xq9 s PHE 30 Ca 0.13 1.07 -0.16 0.00 0.12 0.00 0.00 56.93 58.09 1xq9 s PHE 30 Cb -0.12 -3.60 -0.09 0.00 -0.57 0.00 0.00 43.02 38.64 1xq9 s PHE 30 CO 0.02 -2.03 -0.31 0.25 -0.10 0.00 0.00 175.22 173.05 1xq9 n THR 31 N 3.88 1.51 0.00 0.64 -2.24 -1.26 -1.88 114.28 114.93 1xq9 n THR 31 Ca 0.10 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1xq9 n THR 31 Cb 0.44 -2.13 0.00 0.00 -2.10 0.00 0.00 70.33 66.53 1xq9 n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xq9 n GLY 32 N 1.38 3.83 0.00 3.38 0.00 -1.26 -0.86 105.19 111.65 1xq9 n GLY 32 Ca -0.32 -0.03 0.16 0.00 0.00 0.00 0.00 46.02 45.82 1xq9 n GLY 32 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xq9 n TRP 33 N 14.00 0.00 -1.71 1.61 7.02 -1.26 -4.70 117.44 132.40 1xq9 n TRP 33 Ca 0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.06 1xq9 n TRP 33 Cb 0.00 -0.04 -0.03 0.00 -2.42 0.00 0.00 31.31 28.82 1xq9 n TRP 33 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1xq9 s THR 34 N -2.08 3.11 -1.19 -0.99 2.01 -0.04 -4.84 115.64 111.62 1xq9 s THR 34 Ca 0.45 0.12 -0.19 0.00 0.31 0.00 0.00 61.69 62.39 1xq9 s THR 34 Cb 0.22 -3.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 1xq9 s THR 34 CO 0.38 -0.03 1.99 -0.67 -0.69 0.00 0.00 174.62 175.60 1xq9 n ASP 35 N 8.82 3.60 -4.87 3.53 4.64 -1.26 -4.94 116.55 126.06 1xq9 n ASP 35 Ca 0.23 -2.79 -0.35 0.00 -1.38 0.00 0.00 54.79 50.50 1xq9 n ASP 35 Cb 0.43 -1.54 -0.05 0.00 -1.04 0.00 0.00 41.12 38.91 1xq9 n ASP 35 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 1xq9 s VAL 36 N 5.20 5.18 0.68 5.18 -7.23 -1.26 -4.88 120.40 123.27 1xq9 s VAL 36 Ca 0.55 0.36 -0.13 0.00 -1.81 0.00 0.00 61.98 60.95 1xq9 s VAL 36 Cb 0.10 -3.61 0.01 0.00 0.56 0.00 0.00 36.38 33.43 1xq9 s VAL 36 CO 0.04 0.34 1.08 -2.16 -0.31 0.00 0.00 175.10 174.10 1xq9 s PRO 37 N -1.78 2.83 0.45 4.82 0.04 -1.26 -3.85 135.00 136.24 1xq9 s PRO 37 Ca 0.30 1.18 -0.24 0.00 0.04 0.00 0.00 61.00 62.27 1xq9 s PRO 37 Cb -0.14 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 1xq9 s PRO 37 CO 0.17 -1.20 1.24 1.28 0.04 0.00 0.00 177.00 178.53 1xq9 n LEU 38 N -2.78 4.07 -4.87 -3.56 4.77 -1.26 -1.93 117.00 111.44 1xq9 n LEU 38 Ca 0.09 1.07 -0.29 0.00 -0.03 0.00 0.00 56.01 56.84 1xq9 n LEU 38 Cb 0.53 -1.49 0.08 0.00 -2.33 0.00 0.00 43.42 40.21 1xq9 n LEU 38 CO 0.51 -0.79 0.76 -0.94 -1.33 0.00 0.00 177.39 175.61 1xq9 s SER 39 N -0.64 4.66 0.51 -1.43 1.04 -0.85 -4.51 113.70 112.49 1xq9 s SER 39 Ca 0.63 0.96 0.25 0.00 0.48 0.00 0.00 55.95 58.27 1xq9 s SER 39 Cb -0.49 -1.57 1.37 0.00 0.10 0.00 0.00 66.02 65.43 1xq9 s SER 39 CO 0.56 -1.82 2.06 -0.33 0.98 0.00 0.00 173.24 174.69 1xq9 h GLU 40 N -0.99 0.00 0.15 4.02 4.39 -1.93 -0.58 114.58 119.63 1xq9 h GLU 40 Ca -0.46 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.23 1xq9 h GLU 40 Cb 1.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 1xq9 h GLU 40 CO 0.64 0.13 -0.07 -0.22 -1.16 0.00 0.00 179.01 178.33 1xq9 h LYS 41 N 0.00 -0.19 -0.68 2.33 3.64 -1.92 -2.92 116.57 116.83 1xq9 h LYS 41 Ca -0.00 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.53 1xq9 h LYS 41 Cb 0.32 0.04 -0.13 0.00 -0.41 0.00 0.00 32.23 32.06 1xq9 h LYS 41 CO 0.02 0.25 -0.20 0.78 -2.27 0.00 0.00 179.45 178.02 1xq9 h GLY 42 N -0.78 0.40 -0.40 5.01 0.00 -1.54 0.40 103.07 106.15 1xq9 h GLY 42 Ca -0.02 0.27 0.16 0.00 0.00 0.00 0.00 47.33 47.74 1xq9 h GLY 42 CO 0.03 -0.26 -0.08 -2.09 0.00 0.00 0.00 176.54 174.15 1xq9 h GLU 43 N -0.03 0.05 -0.24 4.80 4.57 -1.19 -2.50 114.58 120.05 1xq9 h GLU 43 Ca 0.32 -0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 58.31 1xq9 h GLU 43 Cb 0.52 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1xq9 h GLU 43 CO -0.71 0.03 -0.60 1.49 -1.18 0.00 0.00 179.01 178.04 1xq9 h GLU 44 N 0.05 0.79 -0.76 1.92 4.81 -0.74 -2.55 114.58 118.10 1xq9 h GLU 44 Ca 0.38 -0.53 0.12 0.00 -0.13 0.00 0.00 59.36 59.20 1xq9 h GLU 44 Cb 0.64 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 30.02 1xq9 h GLU 44 CO -0.70 1.16 0.37 0.93 -0.73 0.00 0.00 179.01 180.03 1xq9 h GLU 45 N 0.59 0.56 -0.62 1.92 5.08 -1.20 -0.21 114.58 120.70 1xq9 h GLU 45 Ca -0.00 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1xq9 h GLU 45 Cb 1.20 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 1xq9 h GLU 45 CO 0.13 0.37 0.37 0.00 -1.00 0.00 0.00 179.01 178.88 1xq9 h ALA 46 N 1.49 1.49 -0.20 3.43 0.00 -1.04 -1.99 119.26 122.44 1xq9 h ALA 46 Ca 0.40 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 55.08 1xq9 h ALA 46 Cb 0.50 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xq9 h ALA 46 CO -0.32 0.45 -0.52 0.82 0.00 0.00 0.00 179.25 179.67 1xq9 h ILE 47 N 0.85 1.32 0.71 0.00 2.04 -1.05 -2.48 117.51 118.89 1xq9 h ILE 47 Ca 0.22 -1.75 -0.03 0.00 1.00 0.00 0.00 64.86 64.30 1xq9 h ILE 47 Cb -0.03 1.72 0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1xq9 h ILE 47 CO -0.04 0.55 -0.34 0.00 0.00 0.00 0.00 178.15 178.32 1xq9 h ALA 48 N 0.98 -0.95 -0.78 1.87 0.00 -0.46 0.18 119.26 120.10 1xq9 h ALA 48 Ca 0.01 -0.22 0.23 0.00 0.00 0.00 0.00 54.91 54.94 1xq9 h ALA 48 Cb 1.06 0.37 -0.14 0.00 0.00 0.00 0.00 17.79 19.07 1xq9 h ALA 48 CO 0.10 -0.93 0.09 0.00 0.00 0.00 0.00 179.25 178.50 1xq9 n ALA 49 N -2.63 0.47 -0.09 0.00 0.00 -0.81 0.02 120.51 117.47 1xq9 n ALA 49 Ca -0.13 0.83 -0.13 0.00 0.00 0.00 0.00 53.44 54.01 1xq9 n ALA 49 Cb 0.39 -0.64 -0.04 0.00 0.00 0.00 0.00 19.45 19.15 1xq9 n ALA 49 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1xq9 h GLY 50 N 0.00 0.71 1.83 0.00 0.00 -0.92 -0.48 103.07 104.21 1xq9 h GLY 50 Ca 0.51 -0.72 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 1xq9 h GLY 50 CO -0.71 0.65 -0.14 1.70 0.00 0.00 0.00 176.54 178.04 1xq9 h LYS 51 N 0.38 0.21 0.05 4.80 1.63 0.26 -2.05 116.57 121.86 1xq9 h LYS 51 Ca 0.05 -0.05 -0.17 0.00 -0.85 0.00 0.00 60.65 59.63 1xq9 h LYS 51 Cb 0.81 -0.03 0.02 0.00 -0.60 0.00 0.00 32.23 32.43 1xq9 h LYS 51 CO 0.06 0.36 -0.69 -0.92 -3.45 0.00 0.00 179.45 174.82 1xq9 h TYR 52 N 0.20 0.60 -0.44 1.91 -0.00 -0.44 -2.48 116.97 116.32 1xq9 h TYR 52 Ca 0.04 -0.36 0.02 0.00 -0.00 0.00 0.00 58.73 58.43 1xq9 h TYR 52 Cb 0.38 -0.06 -0.03 0.00 -0.00 0.00 0.00 36.73 37.02 1xq9 h TYR 52 CO 0.01 1.21 0.25 -0.07 -0.00 0.00 0.00 178.16 179.56 1xq9 h LEU 53 N -0.17 0.41 -0.29 2.82 3.38 -0.99 -2.32 115.31 118.15 1xq9 h LEU 53 Ca -0.10 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1xq9 h LEU 53 Cb 1.43 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.08 1xq9 h LEU 53 CO 0.13 0.29 0.13 0.50 0.09 0.00 0.00 178.44 179.58 1xq9 h LYS 54 N 0.51 0.27 0.00 1.13 3.64 -1.46 -0.74 116.57 119.92 1xq9 h LYS 54 Ca 0.18 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1xq9 h LYS 54 Cb 0.02 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1xq9 h LYS 54 CO -0.09 0.18 -0.06 0.93 -2.27 0.00 0.00 179.45 178.14 1xq9 h GLU 55 N 0.27 0.00 -0.65 1.90 5.08 -1.11 0.55 114.58 120.62 1xq9 h GLU 55 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1xq9 h GLU 55 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1xq9 h GLU 55 CO -0.10 0.06 0.00 1.63 -1.00 0.00 0.00 179.01 179.60 1xq9 n LYS 56 N -3.39 2.57 -3.25 2.33 4.01 -0.90 -4.98 118.16 114.55 1xq9 n LYS 56 Ca -0.02 -2.43 -0.21 0.00 -0.51 0.00 0.00 58.31 55.15 1xq9 n LYS 56 Cb 0.21 -1.53 0.05 0.00 -0.51 0.00 0.00 35.03 33.26 1xq9 n LYS 56 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1xq9 n ASN 57 N 1.49 -5.87 -4.68 4.39 5.15 0.19 -4.97 115.26 110.96 1xq9 n ASN 57 Ca 0.22 -0.39 -0.42 0.00 -0.60 0.00 0.00 54.58 53.40 1xq9 n ASN 57 Cb 0.58 -4.58 -0.03 0.00 -0.53 0.00 0.00 39.78 35.22 1xq9 n ASN 57 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1xq9 s PHE 58 N -3.21 3.21 0.23 1.20 0.40 -0.37 -5.02 117.98 114.42 1xq9 s PHE 58 Ca 0.42 1.27 0.09 0.00 -0.60 0.00 0.00 56.93 58.11 1xq9 s PHE 58 Cb -0.18 -3.38 -0.04 0.00 0.51 0.00 0.00 43.02 39.92 1xq9 s PHE 58 CO 0.52 -1.13 -0.04 0.15 0.70 0.00 0.00 175.22 175.42 1xq9 s LYS 59 N 2.36 2.22 0.00 0.44 -0.14 -1.26 -4.62 119.74 118.74 1xq9 s LYS 59 Ca 0.54 -1.36 0.03 0.00 -1.36 0.00 0.00 55.97 53.83 1xq9 s LYS 59 Cb -0.23 -2.17 -0.01 0.00 -1.68 0.00 0.00 37.83 33.74 1xq9 s LYS 59 CO 0.20 0.39 -0.11 -0.06 -0.76 0.00 0.00 175.35 175.01 1xq9 s PHE 60 N -2.10 0.94 -0.14 3.18 0.08 -1.26 -4.83 117.98 113.84 1xq9 s PHE 60 Ca 0.29 -0.22 0.18 0.00 0.12 0.00 0.00 56.93 57.30 1xq9 s PHE 60 Cb -0.07 -0.59 -0.11 0.00 -0.57 0.00 0.00 43.02 41.68 1xq9 s PHE 60 CO 0.18 -0.01 0.87 -0.44 -0.10 0.00 0.00 175.22 175.72 1xq9 h ASP 61 N 5.63 0.00 -4.81 1.36 5.19 -0.99 -3.48 116.42 119.32 1xq9 h ASP 61 Ca -0.33 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 55.94 1xq9 h ASP 61 Cb 1.18 0.00 -0.21 0.00 0.18 0.00 0.00 39.33 40.48 1xq9 h ASP 61 CO 0.48 0.48 -0.46 -0.69 -3.12 0.00 0.00 179.24 175.93 1xq9 s VAL 62 N -3.00 0.07 -0.08 -1.35 1.01 -0.71 -4.26 120.40 112.09 1xq9 s VAL 62 Ca -0.02 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.43 1xq9 s VAL 62 Cb 0.09 -0.44 -0.02 0.00 0.00 0.00 0.00 36.38 36.01 1xq9 s VAL 62 CO 0.81 -0.31 -0.19 -0.69 0.00 0.00 0.00 175.10 174.72 1xq9 s VAL 63 N -1.16 2.60 -0.09 2.92 1.01 -0.62 -2.69 120.40 122.37 1xq9 s VAL 63 Ca -0.12 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1xq9 s VAL 63 Cb -0.06 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 1xq9 s VAL 63 CO 0.02 0.56 -0.11 -0.31 0.00 0.00 0.00 175.10 175.26 1xq9 s TYR 64 N -0.17 2.82 0.26 5.22 2.02 -0.32 -1.63 117.35 125.54 1xq9 s TYR 64 Ca -0.02 -0.27 -0.13 0.00 -0.37 0.00 0.00 57.07 56.28 1xq9 s TYR 64 Cb -0.14 -1.74 -0.00 0.00 -0.40 0.00 0.00 41.96 39.68 1xq9 s TYR 64 CO 0.04 0.08 0.50 -0.08 -1.57 0.00 0.00 175.55 174.52 1xq9 s THR 65 N -0.33 0.00 0.00 -0.71 -1.32 -0.30 -1.33 115.64 111.66 1xq9 s THR 65 Ca 0.04 -1.39 0.00 0.00 -1.21 0.00 0.00 61.69 59.13 1xq9 s THR 65 Cb -0.13 -2.24 0.00 0.00 -1.51 0.00 0.00 72.50 68.63 1xq9 s THR 65 CO 0.02 0.00 0.00 -1.54 -2.21 0.00 0.00 174.62 170.89 1xq9 n SER 66 N -0.47 0.00 -1.04 8.08 3.41 -1.26 -0.88 113.62 121.46 1xq9 n SER 66 Ca -0.02 -0.45 0.10 0.00 -0.26 0.00 0.00 58.87 58.24 1xq9 n SER 66 Cb 0.62 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.79 1xq9 n SER 66 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1xq9 n VAL 67 N -0.74 0.77 -3.65 -3.33 0.24 -1.15 -3.93 118.33 106.53 1xq9 n VAL 67 Ca 0.00 -0.88 -0.36 0.00 -2.04 0.00 0.00 64.34 61.05 1xq9 n VAL 67 Cb 0.00 0.71 -0.07 0.00 -1.47 0.00 0.00 33.84 33.01 1xq9 n VAL 67 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1xq9 s LEU 68 N -1.14 4.30 0.35 1.34 2.01 -1.26 -5.00 118.68 119.27 1xq9 s LEU 68 Ca 0.37 0.49 0.26 0.00 0.01 0.00 0.00 54.13 55.26 1xq9 s LEU 68 Cb 0.20 -2.27 1.18 0.00 0.01 0.00 0.00 46.19 45.31 1xq9 s LEU 68 CO 0.27 0.22 1.79 0.07 1.01 0.00 0.00 176.35 179.70 1xq9 h LYS 69 N 6.05 0.00 0.00 1.70 2.10 -1.90 -1.73 116.57 122.79 1xq9 h LYS 69 Ca -0.45 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.19 1xq9 h LYS 69 Cb 1.18 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1xq9 h LYS 69 CO 0.70 0.00 -0.04 0.07 -2.00 0.00 0.00 179.45 178.18 1xq9 h ARG 70 N 0.00 0.00 0.04 0.07 0.11 -1.91 -1.99 114.38 110.70 1xq9 h ARG 70 Ca 0.00 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.84 1xq9 h ARG 70 Cb 0.29 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.35 1xq9 h ARG 70 CO 0.00 0.04 -1.27 0.00 0.10 0.00 0.00 179.97 178.84 1xq9 h ALA 71 N 1.96 0.24 -0.70 0.08 0.00 -1.68 -3.32 119.26 115.84 1xq9 h ALA 71 Ca -0.00 -1.14 -0.04 0.00 0.00 0.00 0.00 54.91 53.73 1xq9 h ALA 71 Cb 0.63 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1xq9 h ALA 71 CO 0.01 0.75 0.28 0.82 0.00 0.00 0.00 179.25 181.11 1xq9 h ILE 72 N -0.69 1.24 -0.08 0.00 2.04 -1.44 -2.40 117.51 116.17 1xq9 h ILE 72 Ca -0.32 -0.75 -0.03 0.00 1.00 0.00 0.00 64.86 64.77 1xq9 h ILE 72 Cb 1.48 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1xq9 h ILE 72 CO -0.09 0.30 -0.09 0.00 0.00 0.00 0.00 178.15 178.28 1xq9 h THR 74 N 0.12 1.10 -0.25 0.00 2.02 -1.54 0.29 112.91 114.64 1xq9 h THR 74 Ca 0.03 -0.58 0.04 0.00 0.77 0.00 0.00 66.41 66.66 1xq9 h THR 74 Cb 0.24 1.48 -0.07 0.00 -1.74 0.00 0.00 68.15 68.06 1xq9 h THR 74 CO 0.01 0.15 -0.50 0.00 0.37 0.00 0.00 175.52 175.55 1xq9 h ALA 75 N 0.55 -0.79 -0.36 6.16 0.00 -1.09 -1.74 119.26 121.98 1xq9 h ALA 75 Ca -0.01 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1xq9 h ALA 75 Cb 0.31 1.03 -0.09 0.00 0.00 0.00 0.00 17.79 19.05 1xq9 h ALA 75 CO 0.02 -1.00 -0.43 2.35 0.00 0.00 0.00 179.25 180.19 1xq9 h TRP 76 N -0.44 -1.24 -0.54 0.00 2.91 -0.84 -1.35 115.95 114.45 1xq9 h TRP 76 Ca 0.05 0.07 0.05 0.00 1.13 0.00 0.00 58.89 60.18 1xq9 h TRP 76 Cb 0.57 0.59 -0.05 0.00 -0.51 0.00 0.00 29.16 29.77 1xq9 h TRP 76 CO -0.65 -0.45 0.27 -0.91 -1.03 0.00 0.00 178.44 175.68 1xq9 h ASN 77 N -0.35 0.38 -0.11 2.65 4.21 -0.02 0.11 115.58 122.45 1xq9 h ASN 77 Ca 0.13 0.03 0.04 0.00 1.21 0.00 0.00 56.30 57.71 1xq9 h ASN 77 Cb 0.59 -0.04 -0.04 0.00 -1.12 0.00 0.00 38.32 37.71 1xq9 h ASN 77 CO -0.54 0.26 -0.14 0.58 -1.29 0.00 0.00 177.43 176.29 1xq9 h VAL 78 N 0.52 0.63 -0.40 2.81 2.07 -1.00 0.23 116.25 121.11 1xq9 h VAL 78 Ca 0.24 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.70 1xq9 h VAL 78 Cb 0.17 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1xq9 h VAL 78 CO -0.18 0.00 -0.01 -0.07 0.02 0.00 0.00 177.57 177.33 1xq9 h LEU 79 N -0.17 0.60 0.14 2.57 3.38 -0.27 0.15 115.31 121.70 1xq9 h LEU 79 Ca 0.09 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1xq9 h LEU 79 Cb 0.30 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1xq9 h LEU 79 CO -0.22 0.68 -0.07 0.50 0.09 0.00 0.00 178.44 179.43 1xq9 h LYS 80 N 0.60 -0.18 -0.40 1.13 3.64 -0.47 0.26 116.57 121.16 1xq9 h LYS 80 Ca 0.12 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1xq9 h LYS 80 Cb 0.40 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1xq9 h LYS 80 CO 0.02 0.09 0.23 1.15 -2.27 0.00 0.00 179.45 178.67 1xq9 h THR 81 N -0.44 1.12 -0.01 1.00 2.02 -0.30 -2.47 112.91 113.83 1xq9 h THR 81 Ca -0.02 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1xq9 h THR 81 Cb 0.35 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1xq9 h THR 81 CO 0.03 0.13 -0.38 0.00 0.37 0.00 0.00 175.52 175.66 1xq9 n ALA 82 N -2.48 3.36 -3.01 6.16 0.00 0.49 -4.73 120.51 120.31 1xq9 n ALA 82 Ca 0.03 -0.48 -0.13 0.00 0.00 0.00 0.00 53.44 52.86 1xq9 n ALA 82 Cb 0.09 -1.01 0.06 0.00 0.00 0.00 0.00 19.45 18.58 1xq9 n ALA 82 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1xq9 n ASP 83 N -0.60 -4.52 -0.69 0.00 2.03 -0.36 -4.95 116.55 107.47 1xq9 n ASP 83 Ca 0.10 -0.55 0.04 0.00 0.52 0.00 0.00 54.79 54.90 1xq9 n ASP 83 Cb 0.38 -4.32 0.07 0.00 -0.72 0.00 0.00 41.12 36.53 1xq9 n ASP 83 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1xq9 n LEU 84 N -3.13 1.23 -0.08 -2.67 4.77 0.77 -4.89 117.00 113.00 1xq9 n LEU 84 Ca -0.12 -2.20 0.25 0.00 -0.03 0.00 0.00 56.01 53.91 1xq9 n LEU 84 Cb 0.61 -0.18 0.71 0.00 -2.33 0.00 0.00 43.42 42.23 1xq9 n LEU 84 CO 0.49 0.61 1.23 -0.07 -1.33 0.00 0.00 177.39 178.32 1xq9 h LEU 85 N 0.43 0.00 -0.89 2.23 -0.00 -1.91 -2.20 115.31 112.97 1xq9 h LEU 85 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1xq9 h LEU 85 Cb 1.38 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.04 1xq9 h LEU 85 CO 0.03 0.00 0.00 1.12 -0.00 0.00 0.00 178.44 179.59 1xq9 h HIS 86 N 0.00 0.00 -3.56 1.13 2.07 -1.93 -3.46 115.15 109.41 1xq9 h HIS 86 Ca 0.34 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 57.34 1xq9 h HIS 86 Cb 1.57 0.00 0.02 0.00 2.57 0.00 0.00 27.41 31.57 1xq9 h HIS 86 CO 0.00 0.00 0.53 0.08 -3.07 0.00 0.00 177.93 175.47 1xq9 s VAL 87 N -3.40 3.60 0.48 6.12 1.01 -0.83 -4.99 120.40 122.37 1xq9 s VAL 87 Ca 0.03 1.39 -0.24 0.00 0.00 0.00 0.00 61.98 63.17 1xq9 s VAL 87 Cb 0.09 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 32.51 1xq9 s VAL 87 CO 0.43 0.25 1.30 -2.65 0.00 0.00 0.00 175.10 174.42 1xq9 n PRO 88 N 2.24 1.83 -4.20 2.72 -0.02 -1.26 -4.84 135.00 131.48 1xq9 n PRO 88 Ca 0.03 0.66 -0.20 0.00 -2.02 0.00 0.00 63.50 61.97 1xq9 n PRO 88 Cb 0.45 -2.46 -0.16 0.00 -0.02 0.00 0.00 33.50 31.30 1xq9 n PRO 88 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xq9 s VAL 89 N -1.25 0.56 -0.09 -1.45 1.01 -1.26 -1.58 120.40 116.35 1xq9 s VAL 89 Ca 0.65 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.49 1xq9 s VAL 89 Cb -0.46 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.36 1xq9 s VAL 89 CO 0.55 0.23 -0.08 -0.69 0.00 0.00 0.00 175.10 175.10 1xq9 s VAL 90 N 0.86 0.94 -0.19 2.92 1.01 -0.65 -5.00 120.40 120.29 1xq9 s VAL 90 Ca -0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 1xq9 s VAL 90 Cb -0.14 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.31 1xq9 s VAL 90 CO 0.01 0.34 -0.13 -0.54 0.00 0.00 0.00 175.10 174.77 1xq9 s LYS 91 N 1.30 3.18 0.08 2.72 1.02 -1.26 -1.14 119.74 125.63 1xq9 s LYS 91 Ca -0.03 -0.74 0.07 0.00 0.02 0.00 0.00 55.97 55.29 1xq9 s LYS 91 Cb -0.14 -2.74 -0.03 0.00 -0.52 0.00 0.00 37.83 34.40 1xq9 s LYS 91 CO -0.03 -0.16 -0.18 -0.08 -0.92 0.00 0.00 175.35 173.98 1xq9 s THR 92 N 1.26 1.45 -0.04 2.17 -1.32 -0.06 -4.82 115.64 114.28 1xq9 s THR 92 Ca 0.03 -1.38 0.28 0.00 -1.21 0.00 0.00 61.69 59.42 1xq9 s THR 92 Cb -0.14 -1.33 0.33 0.00 -1.51 0.00 0.00 72.50 69.85 1xq9 s THR 92 CO -0.07 -0.08 1.84 4.11 -2.21 0.00 0.00 174.62 178.21 1xq9 h TRP 93 N 4.31 0.00 0.00 9.09 5.08 -1.89 -2.80 115.95 129.73 1xq9 h TRP 93 Ca -0.43 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.54 1xq9 h TRP 93 Cb 1.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.34 1xq9 h TRP 93 CO 0.60 0.07 0.00 0.54 -1.28 0.00 0.00 178.44 178.37 1xq9 n ARG 94 N -3.16 0.09 -0.12 0.12 1.74 -1.26 -1.96 116.66 112.10 1xq9 n ARG 94 Ca 0.01 0.44 0.09 0.00 -0.77 0.00 0.00 57.85 57.62 1xq9 n ARG 94 Cb 0.40 -1.71 0.15 0.00 -1.02 0.00 0.00 32.46 30.28 1xq9 n ARG 94 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1xq9 n LEU 95 N -1.88 2.88 -4.55 0.55 4.77 -1.07 -4.23 117.00 113.47 1xq9 n LEU 95 Ca 0.01 -1.45 -0.40 0.00 -0.03 0.00 0.00 56.01 54.14 1xq9 n LEU 95 Cb 0.12 -0.16 0.02 0.00 -2.33 0.00 0.00 43.42 41.06 1xq9 n LEU 95 CO 0.11 0.62 0.39 0.59 -1.33 0.00 0.00 177.39 177.77 1xq9 n ASN 96 N 1.01 0.37 -4.15 -1.43 4.13 -0.83 -4.43 115.26 109.93 1xq9 n ASN 96 Ca 0.14 0.93 -0.37 0.00 1.68 0.00 0.00 54.58 56.96 1xq9 n ASN 96 Cb 0.47 -1.28 0.04 0.00 -1.54 0.00 0.00 39.78 37.47 1xq9 n ASN 96 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1xq9 n GLU 97 N 0.04 0.01 -2.39 3.52 0.00 -1.26 -4.53 120.64 116.04 1xq9 n GLU 97 Ca 0.11 0.01 -0.41 0.00 0.00 0.00 0.00 57.16 56.87 1xq9 n GLU 97 Cb 0.42 -1.14 -0.03 0.00 0.00 0.00 0.00 31.44 30.68 1xq9 n GLU 97 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 1xq9 s ARG 98 N -1.90 4.48 0.63 5.31 1.70 -1.26 -4.68 118.95 123.23 1xq9 s ARG 98 Ca 0.49 1.85 -0.16 0.00 -0.47 0.00 0.00 55.73 57.44 1xq9 s ARG 98 Cb -0.29 -3.26 -0.02 0.00 -0.57 0.00 0.00 34.95 30.81 1xq9 s ARG 98 CO 0.74 -0.12 1.12 -1.58 -1.08 0.00 0.00 175.30 174.39 1xq9 s HIS 99 N 0.16 2.62 -0.05 5.89 5.65 -1.26 -4.48 115.29 123.81 1xq9 s HIS 99 Ca 0.54 1.55 0.08 0.00 0.25 0.00 0.00 55.06 57.47 1xq9 s HIS 99 Cb -0.32 -3.21 0.12 0.00 -1.18 0.00 0.00 32.58 27.98 1xq9 s HIS 99 CO 0.35 -1.68 1.00 0.66 -0.65 0.00 0.00 174.74 174.42 1xq9 n TYR 100 N -2.09 0.00 -3.13 3.88 4.01 -1.26 -3.57 117.16 115.00 1xq9 n TYR 100 Ca 0.11 -0.57 0.00 0.00 -0.16 0.00 0.00 57.90 57.28 1xq9 n TYR 100 Cb 0.52 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.46 1xq9 n TYR 100 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xq9 n GLY 101 N -0.75 2.15 0.03 2.72 0.00 -1.26 -1.19 105.19 106.88 1xq9 n GLY 101 Ca 0.06 -0.37 0.03 0.00 0.00 0.00 0.00 46.02 45.74 1xq9 n GLY 101 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xq9 n SER 102 N -0.59 0.11 0.23 1.61 7.64 0.25 -2.57 113.62 120.30 1xq9 n SER 102 Ca 0.00 0.55 0.13 0.00 1.01 0.00 0.00 58.87 60.56 1xq9 n SER 102 Cb 0.00 -0.56 0.31 0.00 -1.01 0.00 0.00 64.21 62.94 1xq9 n SER 102 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1xq9 h LEU 103 N 0.00 0.00 -9.26 -3.43 3.38 -1.43 -3.45 115.31 101.13 1xq9 h LEU 103 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1xq9 h LEU 103 Cb 0.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1xq9 h LEU 103 CO 0.00 0.01 1.24 -1.10 0.09 0.00 0.00 178.44 178.68 1xq9 s GLN 104 N -3.33 3.96 0.00 1.13 -0.21 -1.06 -1.12 119.66 119.03 1xq9 s GLN 104 Ca 0.05 2.38 0.00 0.00 0.02 0.00 0.00 55.36 57.82 1xq9 s GLN 104 Cb 0.06 -4.16 0.00 0.00 1.00 0.00 0.00 33.01 29.91 1xq9 s GLN 104 CO 0.64 -1.14 0.00 0.41 -2.12 0.00 0.00 175.29 173.07 1xq9 n GLY 105 N 4.67 2.13 3.84 3.09 0.00 -0.79 -5.03 105.19 113.11 1xq9 n GLY 105 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1xq9 n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xq9 s LEU 106 N 0.00 4.41 0.37 0.99 1.02 -0.28 -4.84 118.68 120.36 1xq9 s LEU 106 Ca 0.00 0.98 -0.02 0.00 0.02 0.00 0.00 54.13 55.11 1xq9 s LEU 106 Cb 0.00 -2.90 -0.04 0.00 0.02 0.00 0.00 46.19 43.27 1xq9 s LEU 106 CO 0.00 0.22 0.61 0.54 0.02 0.00 0.00 176.35 177.74 1xq9 s ASN 107 N -1.43 6.31 0.26 2.29 2.20 -1.26 -1.31 114.94 122.00 1xq9 s ASN 107 Ca 0.30 0.62 -0.06 0.00 -0.94 0.00 0.00 52.86 52.78 1xq9 s ASN 107 Cb -0.16 -2.11 0.46 0.00 -2.00 0.00 0.00 41.25 37.44 1xq9 s ASN 107 CO 0.17 -0.35 1.44 1.17 -2.94 0.00 0.00 177.10 176.59 1xq9 n LYS 108 N -1.77 -0.08 0.21 3.55 4.81 -0.50 -1.89 118.16 122.49 1xq9 n LYS 108 Ca -0.03 1.44 -0.17 0.00 -0.87 0.00 0.00 58.31 58.68 1xq9 n LYS 108 Cb 0.56 -2.16 -0.09 0.00 0.02 0.00 0.00 35.03 33.35 1xq9 n LYS 108 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1xq9 h SER 109 N 0.00 -1.41 0.28 3.14 0.87 -1.94 -1.39 113.55 113.10 1xq9 h SER 109 Ca 0.46 0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 61.13 1xq9 h SER 109 Cb 0.73 0.49 -0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1xq9 h SER 109 CO -0.94 -0.60 -0.11 -0.33 -0.53 0.00 0.00 176.83 174.31 1xq9 h GLU 110 N -0.86 0.00 -0.33 2.24 5.08 -1.78 -1.74 114.58 117.20 1xq9 h GLU 110 Ca -0.03 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1xq9 h GLU 110 Cb 0.80 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1xq9 h GLU 110 CO -0.16 0.11 -0.14 1.15 -1.00 0.00 0.00 179.01 178.97 1xq9 h THR 111 N 0.00 1.29 -0.66 1.13 2.02 -0.90 -2.40 112.91 113.38 1xq9 h THR 111 Ca -0.00 -1.23 -0.07 0.00 0.77 0.00 0.00 66.41 65.88 1xq9 h THR 111 Cb 0.28 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 1xq9 h THR 111 CO 0.01 0.40 0.16 0.00 0.37 0.00 0.00 175.52 176.46 1xq9 h ALA 112 N 0.78 1.02 0.00 6.16 0.00 -0.43 -2.01 119.26 124.78 1xq9 h ALA 112 Ca 0.08 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1xq9 h ALA 112 Cb 0.66 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1xq9 h ALA 112 CO 0.04 0.64 -0.21 0.87 0.00 0.00 0.00 179.25 180.59 1xq9 h LYS 113 N 1.00 0.00 0.00 0.00 1.57 -1.32 -0.78 116.57 117.04 1xq9 h LYS 113 Ca 0.21 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.77 1xq9 h LYS 113 Cb 0.36 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1xq9 h LYS 113 CO 0.00 0.21 -1.23 1.63 -0.57 0.00 0.00 179.45 179.50 1xq9 n LYS 114 N -3.73 0.56 -0.00 3.15 5.02 -0.91 -4.72 118.16 117.52 1xq9 n LYS 114 Ca -0.01 0.57 0.04 0.00 -2.02 0.00 0.00 58.31 56.88 1xq9 n LYS 114 Cb 0.32 -1.74 -0.05 0.00 -0.02 0.00 0.00 35.03 33.55 1xq9 n LYS 114 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1xq9 n TYR 115 N -4.44 0.00 0.00 2.13 4.02 -0.77 -5.11 117.16 112.98 1xq9 n TYR 115 Ca -0.30 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.59 1xq9 n TYR 115 Cb 0.65 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.92 1xq9 n TYR 115 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xq9 n GLY 116 N 1.42 -1.64 0.21 2.72 0.00 -0.30 -4.29 105.19 103.30 1xq9 n GLY 116 Ca 0.01 -1.39 0.04 0.00 0.00 0.00 0.00 46.02 44.67 1xq9 n GLY 116 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xq9 h GLU 117 N 0.00 0.03 -0.11 1.61 4.81 -1.88 -2.98 114.58 116.07 1xq9 h GLU 117 Ca 0.00 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1xq9 h GLU 117 Cb 0.00 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1xq9 h GLU 117 CO 0.00 0.29 0.03 0.93 -0.73 0.00 0.00 179.01 179.53 1xq9 h GLU 118 N 0.02 0.08 -0.40 1.92 3.07 -1.97 -2.72 114.58 114.59 1xq9 h GLU 118 Ca 0.00 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1xq9 h GLU 118 Cb 0.48 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 1xq9 h GLU 118 CO 0.03 0.05 0.08 1.96 -1.40 0.00 0.00 179.01 179.73 1xq9 h GLN 119 N 0.08 0.60 -0.30 2.33 4.20 -1.71 -3.06 115.11 117.25 1xq9 h GLN 119 Ca 0.05 -0.11 -0.15 0.00 0.06 0.00 0.00 58.65 58.49 1xq9 h GLN 119 Cb 0.03 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 1xq9 h GLN 119 CO -0.05 0.56 -0.41 0.28 -0.67 0.00 0.00 178.83 178.54 1xq9 h VAL 120 N 0.58 1.29 -0.71 -0.54 2.07 -1.55 -2.56 116.25 114.83 1xq9 h VAL 120 Ca 0.13 -1.60 0.10 0.00 0.82 0.00 0.00 66.70 66.15 1xq9 h VAL 120 Cb 0.25 1.60 -0.07 0.00 -1.52 0.00 0.00 31.29 31.55 1xq9 h VAL 120 CO 0.00 0.52 0.35 0.11 0.02 0.00 0.00 177.57 178.57 1xq9 h LYS 121 N 0.57 0.58 -0.53 1.57 1.57 -1.44 0.29 116.57 119.17 1xq9 h LYS 121 Ca 0.03 -0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 1xq9 h LYS 121 Cb 1.01 -0.13 -0.07 0.00 0.08 0.00 0.00 32.23 33.12 1xq9 h LYS 121 CO 0.10 0.38 0.12 0.82 -0.57 0.00 0.00 179.45 180.30 1xq9 h ILE 122 N 0.60 0.71 0.00 1.86 2.04 -1.39 0.66 117.51 121.98 1xq9 h ILE 122 Ca 0.35 -0.09 -0.05 0.00 1.00 0.00 0.00 64.86 66.07 1xq9 h ILE 122 Cb 0.38 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1xq9 h ILE 122 CO -0.27 0.05 -0.26 -0.50 0.00 0.00 0.00 178.15 177.16 1xq9 h TRP 123 N 0.26 0.00 0.02 1.37 6.55 -0.87 -0.54 115.95 122.73 1xq9 h TRP 123 Ca 0.27 0.00 -0.28 0.00 0.95 0.00 0.00 58.89 59.83 1xq9 h TRP 123 Cb 0.37 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 28.63 1xq9 h TRP 123 CO -0.23 0.26 -1.54 0.00 -1.05 0.00 0.00 178.44 175.88 1xq9 h ARG 124 N 0.00 0.05 0.00 0.49 3.08 -0.01 -3.42 114.38 114.57 1xq9 h ARG 124 Ca -0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1xq9 h ARG 124 Cb 1.11 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1xq9 h ARG 124 CO 0.03 0.74 -1.47 0.54 -1.07 0.00 0.00 179.97 178.74 1xq9 n ARG 125 N -3.20 0.84 -2.10 0.04 5.12 0.23 -5.02 116.66 112.58 1xq9 n ARG 125 Ca -0.14 -0.11 -0.28 0.00 -1.93 0.00 0.00 57.85 55.39 1xq9 n ARG 125 Cb 1.03 -1.35 0.05 0.00 -1.16 0.00 0.00 32.46 31.02 1xq9 n ARG 125 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1xq9 s SER 126 N -3.51 5.25 0.05 0.55 1.04 -0.22 -5.00 113.70 111.86 1xq9 s SER 126 Ca -0.03 0.84 0.19 0.00 0.48 0.00 0.00 55.95 57.44 1xq9 s SER 126 Cb 0.11 -1.63 -0.16 0.00 0.10 0.00 0.00 66.02 64.45 1xq9 s SER 126 CO 0.68 -1.38 0.72 0.00 0.98 0.00 0.00 173.24 174.24 1xq9 n TYR 127 N -2.91 0.68 -0.01 5.02 9.36 -1.26 -4.48 117.16 123.56 1xq9 n TYR 127 Ca 0.06 0.21 0.01 0.00 3.32 0.00 0.00 57.90 61.51 1xq9 n TYR 127 Cb 0.58 -0.93 -0.03 0.00 -0.63 0.00 0.00 39.34 38.34 1xq9 n TYR 127 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1xq9 n ASP 128 N -2.69 4.24 -4.04 2.98 10.43 -1.26 -2.07 116.55 124.13 1xq9 n ASP 128 Ca -0.09 0.00 -0.32 0.00 2.57 0.00 0.00 54.79 56.95 1xq9 n ASP 128 Cb 0.75 0.99 -0.14 0.00 1.84 0.00 0.00 41.12 44.56 1xq9 n ASP 128 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1xq9 s ILE 129 N -2.19 2.60 0.85 0.53 1.01 -1.26 -4.94 121.20 117.79 1xq9 s ILE 129 Ca -0.01 -2.38 -0.10 0.00 0.00 0.00 0.00 60.65 58.15 1xq9 s ILE 129 Cb 0.02 -2.86 0.10 0.00 0.01 0.00 0.00 42.46 39.73 1xq9 s ILE 129 CO 0.14 -0.65 1.12 -2.16 0.00 0.00 0.00 174.94 173.38 1xq9 s PRO 130 N 0.83 1.60 1.08 2.79 0.04 -1.26 -4.49 135.00 135.59 1xq9 s PRO 130 Ca 0.11 1.32 -0.14 0.00 0.04 0.00 0.00 61.00 62.34 1xq9 s PRO 130 Cb -0.21 -1.81 0.23 0.00 0.04 0.00 0.00 34.50 32.75 1xq9 s PRO 130 CO -0.06 -2.15 1.08 -2.14 0.04 0.00 0.00 177.00 173.76 1xq9 s PRO 131 N -4.78 -0.24 0.35 0.56 0.02 -1.26 -4.91 135.00 124.74 1xq9 s PRO 131 Ca 0.64 0.44 -0.28 0.00 0.02 0.00 0.00 61.00 61.81 1xq9 s PRO 131 Cb -0.20 -1.67 -0.12 0.00 0.02 0.00 0.00 34.50 32.54 1xq9 s PRO 131 CO 0.57 -3.17 1.42 -2.30 -0.33 0.00 0.00 177.00 173.19 1xq9 n PRO 132 N -4.47 2.44 -3.22 5.54 -0.02 -1.26 -4.77 135.00 129.24 1xq9 n PRO 132 Ca 0.06 0.86 -0.36 0.00 -2.02 0.00 0.00 63.50 62.04 1xq9 n PRO 132 Cb 0.57 -2.53 -0.06 0.00 -0.02 0.00 0.00 33.50 31.46 1xq9 n PRO 132 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1xq9 s LYS 133 N -1.79 4.12 0.83 -0.52 -2.85 -1.26 -0.59 119.74 117.68 1xq9 s LYS 133 Ca 0.56 0.69 -0.11 0.00 -1.00 0.00 0.00 55.97 56.12 1xq9 s LYS 133 Cb -0.52 -2.90 0.13 0.00 -2.06 0.00 0.00 37.83 32.48 1xq9 s LYS 133 CO 0.61 0.43 1.17 -0.51 0.10 0.00 0.00 175.35 177.15 1xq9 s LEU 134 N -1.97 2.73 0.24 2.77 1.43 -0.06 -4.77 118.68 119.05 1xq9 s LEU 134 Ca 0.41 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 1xq9 s LEU 134 Cb -0.16 -2.67 -0.03 0.00 0.03 0.00 0.00 46.19 43.36 1xq9 s LEU 134 CO 0.20 -2.14 0.20 1.51 0.23 0.00 0.00 176.35 176.35 1xq9 s ASP 135 N -4.71 0.53 0.51 2.29 3.84 -1.26 -4.81 116.67 113.06 1xq9 s ASP 135 Ca 0.67 -1.45 0.22 0.00 -0.00 0.00 0.00 52.55 51.98 1xq9 s ASP 135 Cb -0.07 0.45 1.19 0.00 -1.38 0.00 0.00 42.92 43.10 1xq9 s ASP 135 CO 0.49 -0.93 1.63 0.11 -0.00 0.00 0.00 175.17 176.46 1xq9 h LYS 136 N 2.46 0.00 -0.93 2.11 1.57 -1.99 0.81 116.57 120.60 1xq9 h LYS 136 Ca -0.32 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.28 1xq9 h LYS 136 Cb 1.25 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.45 1xq9 h LYS 136 CO 0.47 0.00 0.22 0.39 -0.57 0.00 0.00 179.45 179.97 1xq9 n GLU 137 N -2.50 2.08 -5.15 3.15 4.71 -1.26 -4.87 120.64 116.80 1xq9 n GLU 137 Ca -0.01 -1.55 -0.31 0.00 -0.01 0.00 0.00 57.16 55.27 1xq9 n GLU 137 Cb 0.35 -1.69 -0.17 0.00 -1.01 0.00 0.00 31.44 28.92 1xq9 n GLU 137 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1xq9 s ASP 138 N -0.24 2.94 0.00 1.62 -1.08 0.28 -5.02 116.67 115.18 1xq9 s ASP 138 Ca 0.28 -0.53 0.30 0.00 -0.52 0.00 0.00 52.55 52.08 1xq9 s ASP 138 Cb 0.23 -1.31 1.69 0.00 -1.46 0.00 0.00 42.92 42.06 1xq9 s ASP 138 CO 0.06 0.15 2.08 -0.46 0.52 0.00 0.00 175.17 177.53 1xq9 n ASN 139 N 3.52 0.00 0.16 -0.34 0.23 -1.26 -1.85 115.26 115.72 1xq9 n ASN 139 Ca -0.19 -0.69 0.12 0.00 -0.53 0.00 0.00 54.58 53.28 1xq9 n ASN 139 Cb 0.53 -0.09 0.11 0.00 -2.08 0.00 0.00 39.78 38.25 1xq9 n ASN 139 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1xq9 h ARG 140 N 0.00 0.00 -6.19 -3.83 3.08 -1.95 -3.47 114.38 102.01 1xq9 h ARG 140 Ca 0.00 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 59.35 1xq9 h ARG 140 Cb 0.08 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.15 1xq9 h ARG 140 CO 0.00 0.00 0.93 1.87 -1.07 0.00 0.00 179.97 181.70 1xq9 n TRP 141 N -2.87 2.10 -0.20 3.04 -0.00 -0.77 -4.82 117.44 113.91 1xq9 n TRP 141 Ca 0.02 0.39 0.26 0.00 -0.00 0.00 0.00 57.50 58.17 1xq9 n TRP 141 Cb 0.53 -2.51 0.66 0.00 -0.00 0.00 0.00 31.31 29.99 1xq9 n TRP 141 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 1xq9 h PRO 142 N 7.58 0.13 -0.29 5.87 0.11 -1.91 -0.54 132.00 142.95 1xq9 h PRO 142 Ca -0.47 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.72 1xq9 h PRO 142 Cb 1.31 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1xq9 h PRO 142 CO 0.95 0.08 0.28 0.78 -0.21 0.00 0.00 178.00 179.88 1xq9 h GLY 143 N 0.13 0.00 2.00 -0.55 0.00 -1.88 -0.92 103.07 101.84 1xq9 h GLY 143 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1xq9 h GLY 143 CO -0.07 0.00 0.00 0.45 0.00 0.00 0.00 176.54 176.92 1xq9 h HIS 144 N 0.00 0.00 -3.53 5.60 3.86 -1.45 -3.45 115.15 116.18 1xq9 h HIS 144 Ca 0.14 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.73 1xq9 h HIS 144 Cb 0.69 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 29.04 1xq9 h HIS 144 CO 0.00 0.00 0.37 1.21 0.86 0.00 0.00 177.93 180.37 1xq9 s ASN 145 N -5.08 6.54 0.56 2.45 3.84 -0.35 -4.91 114.94 117.99 1xq9 s ASN 145 Ca 0.09 0.33 0.34 0.00 0.21 0.00 0.00 52.86 53.82 1xq9 s ASN 145 Cb 0.10 -2.39 1.48 0.00 -0.55 0.00 0.00 41.25 39.88 1xq9 s ASN 145 CO 0.60 -0.74 1.80 0.58 -2.79 0.00 0.00 177.10 176.56 1xq9 h VAL 146 N 5.76 0.39 -0.43 -5.21 2.07 -1.87 -1.09 116.25 115.86 1xq9 h VAL 146 Ca -0.25 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.40 1xq9 h VAL 146 Cb 1.09 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1xq9 h VAL 146 CO 0.91 0.00 0.76 0.58 0.02 0.00 0.00 177.57 179.84 1xq9 h VAL 147 N 0.00 0.11 -0.14 2.57 2.07 -1.90 0.65 116.25 119.60 1xq9 h VAL 147 Ca 0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.98 1xq9 h VAL 147 Cb 2.00 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1xq9 h VAL 147 CO -0.00 0.00 0.00 -1.22 0.02 0.00 0.00 177.57 176.37 1xq9 n TYR 148 N -3.17 0.39 0.27 1.57 4.01 -0.41 -4.76 117.16 115.06 1xq9 n TYR 148 Ca 0.09 -0.80 0.18 0.00 -0.16 0.00 0.00 57.90 57.20 1xq9 n TYR 148 Cb 0.91 -0.17 0.93 0.00 -0.31 0.00 0.00 39.34 40.70 1xq9 n TYR 148 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1xq9 h LYS 149 N 0.92 0.00 -0.98 -0.72 2.10 -1.00 0.13 116.57 117.02 1xq9 h LYS 149 Ca 0.00 0.00 -0.38 0.00 -2.00 0.00 0.00 60.65 58.27 1xq9 h LYS 149 Cb 1.03 0.00 -0.23 0.00 -0.90 0.00 0.00 32.23 32.14 1xq9 h LYS 149 CO 0.08 0.00 0.49 0.09 -2.00 0.00 0.00 179.45 178.11 1xq9 n ASN 150 N -3.52 3.66 -4.03 7.07 5.03 -1.26 -4.89 115.26 117.32 1xq9 n ASN 150 Ca -0.01 -3.23 -0.26 0.00 0.87 0.00 0.00 54.58 51.95 1xq9 n ASN 150 Cb 0.24 -0.76 -0.17 0.00 -1.02 0.00 0.00 39.78 38.08 1xq9 n ASN 150 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1xq9 s VAL 151 N -2.58 1.22 -0.08 2.41 1.01 0.44 -5.08 120.40 117.74 1xq9 s VAL 151 Ca 0.45 -0.51 -0.37 0.00 0.00 0.00 0.00 61.98 61.54 1xq9 s VAL 151 Cb 0.37 -1.12 -0.15 0.00 0.00 0.00 0.00 36.38 35.49 1xq9 s VAL 151 CO 0.09 0.38 1.66 -2.65 0.00 0.00 0.00 175.10 174.57 1xq9 n PRO 152 N 3.92 1.54 0.22 2.72 -0.02 -1.26 -4.75 135.00 137.36 1xq9 n PRO 152 Ca -0.22 0.56 0.12 0.00 -2.02 0.00 0.00 63.50 61.95 1xq9 n PRO 152 Cb 0.52 -2.29 0.71 0.00 -0.02 0.00 0.00 33.50 32.42 1xq9 n PRO 152 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1xq9 h LYS 153 N 6.87 0.00 0.00 -0.52 1.79 -1.96 0.31 116.57 123.06 1xq9 h LYS 153 Ca -0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 1xq9 h LYS 153 Cb 1.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 1xq9 h LYS 153 CO 0.90 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 178.87 1xq9 n ASP 154 N -4.32 0.00 -0.15 0.86 5.75 -1.26 -1.44 116.55 115.99 1xq9 n ASP 154 Ca -0.00 -0.94 0.13 0.00 -0.01 0.00 0.00 54.79 53.97 1xq9 n ASP 154 Cb 0.20 0.00 0.37 0.00 -1.03 0.00 0.00 41.12 40.66 1xq9 n ASP 154 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xq9 n ALA 155 N -0.87 3.17 -2.79 2.12 0.00 0.10 -4.99 120.51 117.25 1xq9 n ALA 155 Ca 0.13 -0.36 -0.36 0.00 0.00 0.00 0.00 53.44 52.85 1xq9 n ALA 155 Cb 0.06 -1.16 -0.08 0.00 0.00 0.00 0.00 19.45 18.27 1xq9 n ALA 155 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xq9 s LEU 156 N -2.67 3.96 0.40 0.00 1.43 -0.52 -5.07 118.68 116.22 1xq9 s LEU 156 Ca 0.20 0.25 -0.24 0.00 -1.03 0.00 0.00 54.13 53.32 1xq9 s LEU 156 Cb 0.19 -1.96 -0.09 0.00 0.03 0.00 0.00 46.19 44.36 1xq9 s LEU 156 CO 0.57 0.33 1.03 -2.16 0.23 0.00 0.00 176.35 176.36 1xq9 s PRO 157 N -0.59 4.16 0.29 1.29 0.04 -1.26 -4.94 135.00 133.99 1xq9 s PRO 157 Ca 0.11 1.45 0.23 0.00 0.04 0.00 0.00 61.00 62.83 1xq9 s PRO 157 Cb -0.12 -2.49 0.16 0.00 0.04 0.00 0.00 34.50 32.09 1xq9 s PRO 157 CO 0.02 -0.13 1.28 0.74 0.04 0.00 0.00 177.00 178.95 1xq9 h PHE 158 N 2.41 0.00 -2.29 0.56 -1.00 -1.98 -3.41 116.94 111.22 1xq9 h PHE 158 Ca -0.48 0.00 0.19 0.00 2.81 0.00 0.00 57.97 60.49 1xq9 h PHE 158 Cb 1.21 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.70 1xq9 h PHE 158 CO 0.58 0.00 0.56 -0.08 -1.61 0.00 0.00 178.31 177.76 1xq9 s THR 159 N -3.29 0.00 -0.03 -1.55 -1.32 -1.26 -0.88 115.64 107.30 1xq9 s THR 159 Ca 0.03 -0.59 -0.20 0.00 -1.21 0.00 0.00 61.69 59.72 1xq9 s THR 159 Cb 0.08 -2.28 0.04 0.00 -1.51 0.00 0.00 72.50 68.83 1xq9 s THR 159 CO 0.74 0.00 0.43 -1.61 -2.21 0.00 0.00 174.62 171.97 1xq9 s GLU 160 N -2.84 0.78 0.43 7.08 2.02 -1.23 -4.90 118.70 120.03 1xq9 s GLU 160 Ca 0.15 -0.01 0.07 0.00 0.02 0.00 0.00 54.97 55.20 1xq9 s GLU 160 Cb -0.01 0.35 -0.05 0.00 0.10 0.00 0.00 34.13 34.52 1xq9 s GLU 160 CO 0.03 -0.22 0.15 0.00 0.02 0.00 0.00 175.26 175.24 1xq9 h LEU 162 N 1.44 0.72 0.45 0.00 6.46 -1.76 -2.01 115.31 120.61 1xq9 h LEU 162 Ca -0.43 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.37 1xq9 h LEU 162 Cb 1.26 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 1xq9 h LEU 162 CO 0.72 0.32 -0.22 0.50 -0.62 0.00 0.00 178.44 179.14 1xq9 h LYS 163 N 0.73 -0.59 -0.88 1.25 3.64 -1.78 0.10 116.57 119.05 1xq9 h LYS 163 Ca 0.51 0.04 0.24 0.00 -1.27 0.00 0.00 60.65 60.16 1xq9 h LYS 163 Cb 0.81 0.13 -0.15 0.00 -0.41 0.00 0.00 32.23 32.62 1xq9 h LYS 163 CO -0.27 -0.38 0.19 -0.44 -2.27 0.00 0.00 179.45 176.28 1xq9 h ASP 164 N -0.64 -0.09 -0.47 4.20 3.32 -1.66 0.14 116.42 121.22 1xq9 h ASP 164 Ca -0.06 0.21 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 1xq9 h ASP 164 Cb 0.48 0.30 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 1xq9 h ASP 164 CO 0.10 -0.19 0.17 0.74 -1.72 0.00 0.00 179.24 178.34 1xq9 h THR 165 N 0.17 1.22 -0.71 0.35 2.02 -0.99 -2.37 112.91 112.60 1xq9 h THR 165 Ca 0.55 -0.70 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 1xq9 h THR 165 Cb 1.10 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 68.28 1xq9 h THR 165 CO -0.69 0.26 0.25 0.58 0.37 0.00 0.00 175.52 176.29 1xq9 h VAL 166 N 0.62 1.25 -0.67 3.16 2.07 0.31 -2.40 116.25 120.59 1xq9 h VAL 166 Ca 0.15 -0.83 -0.08 0.00 0.82 0.00 0.00 66.70 66.76 1xq9 h VAL 166 Cb 0.23 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1xq9 h VAL 166 CO -0.01 0.33 0.09 -0.33 0.02 0.00 0.00 177.57 177.67 1xq9 h GLU 167 N 1.03 1.12 0.00 1.57 5.08 -0.44 -2.25 114.58 120.69 1xq9 h GLU 167 Ca 0.23 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1xq9 h GLU 167 Cb 0.26 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1xq9 h GLU 167 CO -0.01 1.03 -0.28 0.07 -1.00 0.00 0.00 179.01 178.82 1xq9 h ARG 168 N 1.04 0.00 0.11 2.33 0.11 -1.44 -3.32 114.38 113.21 1xq9 h ARG 168 Ca 0.20 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.99 1xq9 h ARG 168 Cb 0.47 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.55 1xq9 h ARG 168 CO 0.02 0.00 -1.42 0.28 0.10 0.00 0.00 179.97 178.94 1xq9 h VAL 169 N 0.00 1.28 -0.58 0.08 2.07 -1.17 -3.40 116.25 114.53 1xq9 h VAL 169 Ca 0.00 -2.90 -0.04 0.00 0.82 0.00 0.00 66.70 64.58 1xq9 h VAL 169 Cb 0.79 2.82 -0.02 0.00 -1.52 0.00 0.00 31.29 33.35 1xq9 h VAL 169 CO 0.00 0.84 0.20 -0.07 0.02 0.00 0.00 177.57 178.56 1xq9 h LEU 170 N 0.07 0.83 -0.79 2.57 4.07 -1.51 -2.36 115.31 118.19 1xq9 h LEU 170 Ca -0.20 -0.20 0.18 0.00 0.08 0.00 0.00 57.88 57.75 1xq9 h LEU 170 Cb 1.99 -0.22 -0.12 0.00 1.08 0.00 0.00 40.66 43.40 1xq9 h LEU 170 CO 0.17 0.80 0.22 -0.65 -1.08 0.00 0.00 178.44 177.90 1xq9 h PRO 171 N 0.81 0.27 -0.71 1.13 0.11 -1.77 0.19 132.00 132.03 1xq9 h PRO 171 Ca 0.19 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 1xq9 h PRO 171 Cb 0.26 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.27 1xq9 h PRO 171 CO -0.01 0.18 0.36 0.35 -0.21 0.00 0.00 178.00 178.67 1xq9 h PHE 172 N 0.28 0.99 0.26 0.65 3.57 -1.65 0.64 116.94 121.68 1xq9 h PHE 172 Ca 0.46 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.93 1xq9 h PHE 172 Cb 0.82 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 1xq9 h PHE 172 CO -0.25 0.71 -0.33 2.35 -2.23 0.00 0.00 178.31 178.56 1xq9 h TRP 173 N 1.00 -0.89 -0.40 0.41 2.91 -0.81 -1.11 115.95 117.06 1xq9 h TRP 173 Ca 0.25 0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.19 1xq9 h TRP 173 Cb 0.07 0.35 -0.01 0.00 -0.51 0.00 0.00 29.16 29.07 1xq9 h TRP 173 CO 0.01 -0.46 -0.08 0.74 -1.03 0.00 0.00 178.44 177.63 1xq9 h PHE 174 N -0.64 0.85 0.00 2.65 0.04 -0.21 0.75 116.94 120.38 1xq9 h PHE 174 Ca -0.00 -0.18 -0.05 0.00 2.80 0.00 0.00 57.97 60.54 1xq9 h PHE 174 Cb 0.61 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 1xq9 h PHE 174 CO -0.22 0.88 -0.25 -0.44 -0.60 0.00 0.00 178.31 177.68 1xq9 h ASP 175 N 0.58 0.00 0.00 2.17 5.19 0.22 -3.40 116.42 121.18 1xq9 h ASP 175 Ca 0.10 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1xq9 h ASP 175 Cb 0.59 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.10 1xq9 h ASP 175 CO 0.04 0.24 -0.17 1.41 -3.12 0.00 0.00 179.24 177.64 1xq9 n HIS 176 N -3.16 -0.12 0.20 4.55 8.25 -0.49 -4.81 115.22 119.65 1xq9 n HIS 176 Ca 0.03 0.02 -0.14 0.00 -0.26 0.00 0.00 57.72 57.37 1xq9 n HIS 176 Cb 0.63 0.41 -0.08 0.00 1.12 0.00 0.00 29.99 32.07 1xq9 n HIS 176 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1xq9 h ILE 177 N 0.00 0.62 -0.47 1.59 2.04 -1.23 -2.93 117.51 117.13 1xq9 h ILE 177 Ca 0.00 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.40 1xq9 h ILE 177 Cb 0.17 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1xq9 h ILE 177 CO 0.00 0.07 0.04 0.00 0.00 0.00 0.00 178.15 178.27 1xq9 h ALA 178 N -0.21 0.63 0.00 1.87 0.00 -1.10 -2.21 119.26 118.23 1xq9 h ALA 178 Ca -0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1xq9 h ALA 178 Cb 0.51 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1xq9 h ALA 178 CO 0.08 0.39 -0.08 -1.35 0.00 0.00 0.00 179.25 178.30 1xq9 h PRO 179 N 0.66 0.00 -0.02 0.00 0.11 -1.77 -0.95 132.00 130.04 1xq9 h PRO 179 Ca 0.14 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 1xq9 h PRO 179 Cb 0.44 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.55 1xq9 h PRO 179 CO 0.02 0.08 -0.01 -0.44 -0.21 0.00 0.00 178.00 177.43 1xq9 h ASP 180 N 0.00 0.04 -0.91 -2.05 3.32 -1.22 0.35 116.42 115.96 1xq9 h ASP 180 Ca -0.00 -0.46 0.17 0.00 0.02 0.00 0.00 57.03 56.76 1xq9 h ASP 180 Cb 0.18 -0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.64 1xq9 h ASP 180 CO 0.01 0.49 0.58 0.40 -1.72 0.00 0.00 179.24 179.00 1xq9 h ILE 181 N -0.41 0.77 -0.04 0.35 2.04 -0.98 -2.45 117.51 116.79 1xq9 h ILE 181 Ca 0.00 -0.21 -0.22 0.00 1.00 0.00 0.00 64.86 65.43 1xq9 h ILE 181 Cb 0.48 0.11 0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1xq9 h ILE 181 CO 0.00 0.11 -0.84 -0.07 0.00 0.00 0.00 178.15 177.35 1xq9 h LEU 182 N 0.61 0.81-10.21 1.44 3.38 -0.91 -3.36 115.31 107.06 1xq9 h LEU 182 Ca 0.47 -0.71 -0.53 0.00 0.09 0.00 0.00 57.88 57.20 1xq9 h LEU 182 Cb 0.88 -0.25 0.17 0.00 0.09 0.00 0.00 40.66 41.55 1xq9 h LEU 182 CO -0.22 1.41 0.34 0.00 0.09 0.00 0.00 178.44 180.06 1xq9 s ALA 183 N -3.42 1.94 -0.13 1.53 0.00 0.09 -4.86 121.76 116.91 1xq9 s ALA 183 Ca -0.11 0.75 -0.04 0.00 0.00 0.00 0.00 51.96 52.56 1xq9 s ALA 183 Cb 0.06 -3.45 -0.11 0.00 0.00 0.00 0.00 23.12 19.62 1xq9 s ALA 183 CO 0.89 -2.12 3.04 -1.71 0.00 0.00 0.00 175.76 175.85 1xq9 n ASN 184 N -3.22 5.65 -4.82 0.00 4.05 -1.26 -4.75 115.26 110.91 1xq9 n ASN 184 Ca 0.13 -2.69 -0.37 0.00 0.45 0.00 0.00 54.58 52.10 1xq9 n ASN 184 Cb 0.51 -1.30 -0.06 0.00 1.23 0.00 0.00 39.78 40.16 1xq9 n ASN 184 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1xq9 s LYS 185 N -0.03 4.14 -0.32 1.20 1.02 -0.95 -5.05 119.74 119.75 1xq9 s LYS 185 Ca 0.51 0.68 -0.21 0.00 0.02 0.00 0.00 55.97 56.98 1xq9 s LYS 185 Cb 0.28 -3.08 -0.00 0.00 -0.52 0.00 0.00 37.83 34.50 1xq9 s LYS 185 CO -0.05 0.55 0.64 0.15 -0.92 0.00 0.00 175.35 175.72 1xq9 s LYS 186 N -1.53 3.82 -0.04 1.68 1.02 -1.26 -4.36 119.74 119.07 1xq9 s LYS 186 Ca 0.34 0.23 0.06 0.00 0.02 0.00 0.00 55.97 56.62 1xq9 s LYS 186 Cb -0.18 -3.76 -0.02 0.00 -0.52 0.00 0.00 37.83 33.36 1xq9 s LYS 186 CO 0.19 -0.64 -0.21 0.14 -0.92 0.00 0.00 175.35 173.92 1xq9 s VAL 187 N 2.67 2.49 -0.08 3.17 -7.23 -1.26 -0.26 120.40 119.91 1xq9 s VAL 187 Ca 0.25 -0.93 0.03 0.00 -1.81 0.00 0.00 61.98 59.51 1xq9 s VAL 187 Cb -0.15 -1.92 -0.02 0.00 0.56 0.00 0.00 36.38 34.85 1xq9 s VAL 187 CO 0.13 0.58 -0.15 -0.32 -0.31 0.00 0.00 175.10 175.03 1xq9 s MET 188 N -0.55 2.81 -0.36 4.82 1.75 -1.09 -2.40 119.30 124.27 1xq9 s MET 188 Ca 0.08 -0.71 -0.03 0.00 -1.25 0.00 0.00 55.69 53.77 1xq9 s MET 188 Cb -0.11 -2.45 0.07 0.00 2.84 0.00 0.00 34.83 35.19 1xq9 s MET 188 CO 0.00 0.46 0.12 0.08 -0.65 0.00 0.00 175.02 175.03 1xq9 s VAL 189 N -0.31 3.32 -0.36 10.11 1.01 0.15 -1.18 120.40 133.14 1xq9 s VAL 189 Ca 0.03 -1.61 -0.12 0.00 0.00 0.00 0.00 61.98 60.27 1xq9 s VAL 189 Cb -0.13 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1xq9 s VAL 189 CO 0.03 -0.38 0.23 0.00 0.00 0.00 0.00 175.10 174.98 1xq9 s ALA 190 N 1.24 3.41 0.00 5.51 0.00 -0.44 -0.77 121.76 130.71 1xq9 s ALA 190 Ca 0.01 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.42 1xq9 s ALA 190 Cb -0.21 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.25 1xq9 s ALA 190 CO -0.01 -1.19 0.00 0.00 0.00 0.00 0.00 175.76 174.56 1xq9 n ALA 191 N 5.07 0.00 -2.52 0.00 0.00 0.50 -4.06 120.51 119.51 1xq9 n ALA 191 Ca -0.12 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.05 1xq9 n ALA 191 Cb 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.83 1xq9 n ALA 191 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1xq9 s HIS 192 N 0.12 2.50 0.17 0.00 3.76 -1.26 -1.34 115.29 119.25 1xq9 s HIS 192 Ca 0.00 -0.27 -0.25 0.00 -0.15 0.00 0.00 55.06 54.38 1xq9 s HIS 192 Cb 0.00 -1.21 0.03 0.00 1.11 0.00 0.00 32.58 32.51 1xq9 s HIS 192 CO 0.00 0.53 1.48 0.41 -0.85 0.00 0.00 174.74 176.30 1xq9 n GLY 193 N 0.03 -2.32 0.18 -2.22 0.00 -1.26 -0.46 105.19 99.13 1xq9 n GLY 193 Ca -0.11 1.12 -0.13 0.00 0.00 0.00 0.00 46.02 46.90 1xq9 n GLY 193 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1xq9 h ASN 194 N 0.00 0.58 -0.57 1.61 4.21 -1.96 -0.53 115.58 118.92 1xq9 h ASN 194 Ca 0.21 -0.45 -0.01 0.00 1.21 0.00 0.00 56.30 57.25 1xq9 h ASN 194 Cb 0.45 -0.16 -0.03 0.00 -1.12 0.00 0.00 38.32 37.46 1xq9 h ASN 194 CO -0.92 0.91 0.32 0.77 -1.29 0.00 0.00 177.43 177.22 1xq9 h SER 195 N 0.25 0.72 -0.07 5.81 4.64 -1.75 -2.30 113.55 120.86 1xq9 h SER 195 Ca 0.04 -0.05 -0.13 0.00 -0.47 0.00 0.00 61.79 61.18 1xq9 h SER 195 Cb 0.73 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1xq9 h SER 195 CO 0.05 0.59 -0.39 -0.07 -0.87 0.00 0.00 176.83 176.14 1xq9 h LEU 196 N 0.82 0.62 -1.53 5.97 4.07 -0.48 -3.03 115.31 121.76 1xq9 h LEU 196 Ca 0.21 -0.27 -0.05 0.00 0.08 0.00 0.00 57.88 57.85 1xq9 h LEU 196 Cb 0.03 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 1xq9 h LEU 196 CO -0.03 0.95 -0.22 0.03 -1.08 0.00 0.00 178.44 178.08 1xq9 h ARG 197 N 0.49 0.00 -0.06 1.13 3.08 -0.58 -1.41 114.38 117.03 1xq9 h ARG 197 Ca 0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1xq9 h ARG 197 Cb 0.89 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 1xq9 h ARG 197 CO 0.08 0.22 0.02 0.78 -1.07 0.00 0.00 179.97 180.00 1xq9 h GLY 198 N 1.19 0.10 0.44 0.04 0.00 -1.31 0.49 103.07 104.03 1xq9 h GLY 198 Ca -0.00 -0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.28 1xq9 h GLY 198 CO 0.03 0.06 -0.34 1.41 0.00 0.00 0.00 176.54 177.69 1xq9 h LEU 199 N -0.11 -0.98 -0.39 3.11 4.07 -1.36 -2.97 115.31 116.68 1xq9 h LEU 199 Ca 0.02 0.11 0.04 0.00 0.08 0.00 0.00 57.88 58.13 1xq9 h LEU 199 Cb 0.23 0.37 -0.04 0.00 1.08 0.00 0.00 40.66 42.29 1xq9 h LEU 199 CO -0.00 -0.44 0.14 0.58 -1.08 0.00 0.00 178.44 177.64 1xq9 h VAL 200 N -0.60 0.89 -0.96 1.22 2.07 -1.20 -0.67 116.25 117.01 1xq9 h VAL 200 Ca 0.02 -0.10 0.20 0.00 0.82 0.00 0.00 66.70 67.63 1xq9 h VAL 200 Cb 0.61 0.57 -0.09 0.00 -1.52 0.00 0.00 31.29 30.86 1xq9 h VAL 200 CO -0.18 0.05 0.61 0.50 0.02 0.00 0.00 177.57 178.58 1xq9 h LYS 201 N 0.30 0.57 0.28 1.57 3.64 -0.80 0.26 116.57 122.39 1xq9 h LYS 201 Ca 0.18 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1xq9 h LYS 201 Cb 0.15 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1xq9 h LYS 201 CO -0.18 0.38 -0.14 1.25 -2.27 0.00 0.00 179.45 178.50 1xq9 h HIS 202 N 0.59 -0.35 -0.69 1.91 2.76 -1.22 -1.44 115.15 116.72 1xq9 h HIS 202 Ca 0.52 -0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.82 1xq9 h HIS 202 Cb 1.04 0.12 -0.13 0.00 1.55 0.00 0.00 27.41 29.98 1xq9 h HIS 202 CO -0.00 -0.22 -0.22 -0.07 -1.30 0.00 0.00 177.93 176.12 1xq9 h LEU 203 N -0.65 -0.81 -1.46 0.26 3.38 -0.12 -0.75 115.31 115.16 1xq9 h LEU 203 Ca -0.04 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1xq9 h LEU 203 Cb 0.29 0.48 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1xq9 h LEU 203 CO 0.06 -0.26 0.00 0.47 0.09 0.00 0.00 178.44 178.81 1xq9 n ASP 204 N -5.47 2.15 -3.33 -0.43 10.43 0.80 -4.37 116.55 116.34 1xq9 n ASP 204 Ca 0.08 -1.89 -0.24 0.00 2.57 0.00 0.00 54.79 55.31 1xq9 n ASP 204 Cb 0.37 -0.22 0.02 0.00 1.84 0.00 0.00 41.12 43.13 1xq9 n ASP 204 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1xq9 n ASN 205 N 0.65 -4.99 -4.79 -2.24 5.15 -0.29 -4.94 115.26 103.81 1xq9 n ASN 205 Ca 0.15 -0.42 -0.33 0.00 -0.60 0.00 0.00 54.58 53.38 1xq9 n ASN 205 Cb 0.37 -4.05 0.00 0.00 -0.53 0.00 0.00 39.78 35.57 1xq9 n ASN 205 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1xq9 s LEU 206 N -6.74 3.60 0.69 1.20 1.43 -0.56 -5.03 118.68 113.27 1xq9 s LEU 206 Ca 0.41 1.91 -0.05 0.00 -1.03 0.00 0.00 54.13 55.37 1xq9 s LEU 206 Cb -0.20 -4.55 0.07 0.00 0.03 0.00 0.00 46.19 41.54 1xq9 s LEU 206 CO 0.51 -1.14 0.99 -0.94 0.23 0.00 0.00 176.35 176.00 1xq9 s SER 207 N -2.45 4.78 0.28 2.29 1.04 -1.26 -4.87 113.70 113.51 1xq9 s SER 207 Ca 0.66 0.32 0.02 0.00 0.48 0.00 0.00 55.95 57.43 1xq9 s SER 207 Cb -0.18 -0.96 0.61 0.00 0.10 0.00 0.00 66.02 65.60 1xq9 s SER 207 CO 0.32 -1.59 1.78 -0.33 0.98 0.00 0.00 173.24 174.40 1xq9 h GLU 208 N -0.53 0.70 -0.50 4.02 5.08 -1.99 -1.53 114.58 119.83 1xq9 h GLU 208 Ca -0.43 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 57.79 1xq9 h GLU 208 Cb 1.31 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1xq9 h GLU 208 CO 0.57 0.47 -0.06 0.00 -1.00 0.00 0.00 179.01 178.98 1xq9 h ALA 209 N 1.59 0.68 -0.07 3.43 0.00 -2.01 -3.10 119.26 119.78 1xq9 h ALA 209 Ca 0.51 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 1xq9 h ALA 209 Cb 0.73 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1xq9 h ALA 209 CO -0.36 0.54 -0.64 -0.44 0.00 0.00 0.00 179.25 178.36 1xq9 h ASP 210 N 0.78 0.32 0.00 0.00 3.32 -1.79 -3.03 116.42 116.02 1xq9 h ASP 210 Ca 0.13 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 1xq9 h ASP 210 Cb 0.61 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1xq9 h ASP 210 CO 0.04 0.88 -0.06 1.62 -1.72 0.00 0.00 179.24 179.99 1xq9 h VAL 211 N 0.20 1.11 -0.02 -1.35 3.04 -1.32 -2.52 116.25 115.39 1xq9 h VAL 211 Ca -0.01 -0.46 -0.15 0.00 -1.01 0.00 0.00 66.70 65.06 1xq9 h VAL 211 Cb 1.16 1.10 -0.02 0.00 -2.01 0.00 0.00 31.29 31.53 1xq9 h VAL 211 CO 0.10 0.14 -0.69 -0.07 -1.01 0.00 0.00 177.57 176.04 1xq9 h LEU 212 N 0.15 0.12 -0.09 3.16 3.38 -1.45 -3.22 115.31 117.36 1xq9 h LEU 212 Ca 0.03 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1xq9 h LEU 212 Cb 0.21 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1xq9 h LEU 212 CO 0.01 0.77 0.00 -1.84 0.09 0.00 0.00 178.44 177.47 1xq9 n GLU 213 N -3.76 0.07 -3.44 1.13 0.28 -0.95 -4.76 120.64 109.20 1xq9 n GLU 213 Ca -0.02 0.16 -0.40 0.00 -0.16 0.00 0.00 57.16 56.74 1xq9 n GLU 213 Cb 0.68 -1.60 -0.10 0.00 1.43 0.00 0.00 31.44 31.85 1xq9 n GLU 213 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1xq9 s LEU 214 N -3.45 4.33 -0.08 -1.84 2.96 -1.20 -5.05 118.68 114.34 1xq9 s LEU 214 Ca 0.10 -0.14 -0.03 0.00 -0.22 0.00 0.00 54.13 53.84 1xq9 s LEU 214 Cb 0.14 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1xq9 s LEU 214 CO 0.45 -0.26 0.08 0.54 -1.32 0.00 0.00 176.35 175.83 1xq9 s ASN 215 N 1.72 5.79 -0.22 3.68 4.22 -1.26 -5.03 114.94 123.84 1xq9 s ASN 215 Ca 0.11 0.27 -0.05 0.00 -2.14 0.00 0.00 52.86 51.05 1xq9 s ASN 215 Cb -0.16 -1.74 -0.02 0.00 1.28 0.00 0.00 41.25 40.60 1xq9 s ASN 215 CO 0.11 0.36 0.01 -0.63 -2.04 0.00 0.00 177.10 174.91 1xq9 s ILE 216 N -1.02 3.84 0.66 0.54 1.01 -1.26 -5.09 121.20 119.87 1xq9 s ILE 216 Ca 0.17 -0.34 -0.14 0.00 0.00 0.00 0.00 60.65 60.34 1xq9 s ILE 216 Cb -0.12 -2.76 -0.00 0.00 0.01 0.00 0.00 42.46 39.58 1xq9 s ILE 216 CO 0.06 0.40 1.08 -2.16 0.00 0.00 0.00 174.94 174.32 1xq9 s PRO 217 N 1.40 2.94 0.04 2.79 0.04 -1.26 -4.96 135.00 135.99 1xq9 s PRO 217 Ca 0.05 1.22 -0.20 0.00 0.04 0.00 0.00 61.00 62.11 1xq9 s PRO 217 Cb -0.15 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 1xq9 s PRO 217 CO 0.00 -1.12 0.58 0.95 0.04 0.00 0.00 177.00 177.46 1xq9 s THR 218 N -2.58 4.81 -0.32 1.26 -4.23 -1.26 -4.25 115.64 109.07 1xq9 s THR 218 Ca 0.63 1.23 0.00 0.00 -1.18 0.00 0.00 61.69 62.37 1xq9 s THR 218 Cb -0.17 -3.91 0.00 0.00 1.34 0.00 0.00 72.50 69.75 1xq9 s THR 218 CO 0.44 0.49 0.00 0.61 -0.54 0.00 0.00 174.62 175.62 1xq9 n GLY 219 N 2.05 0.61 3.06 3.99 0.00 -1.04 -4.91 105.19 108.96 1xq9 n GLY 219 Ca -0.09 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 1xq9 n GLY 219 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xq9 s VAL 220 N -2.11 2.17 0.12 1.61 1.01 -1.26 -4.14 120.40 117.80 1xq9 s VAL 220 Ca 0.00 -1.69 -0.34 0.00 0.00 0.00 0.00 61.98 59.95 1xq9 s VAL 220 Cb 0.00 -2.31 -0.14 0.00 0.00 0.00 0.00 36.38 33.93 1xq9 s VAL 220 CO 0.00 -0.08 1.59 -2.65 0.00 0.00 0.00 175.10 173.96 1xq9 n PRO 221 N 4.42 2.05 -3.67 2.72 -0.02 -1.26 -4.69 135.00 134.55 1xq9 n PRO 221 Ca -0.12 0.74 -0.38 0.00 -2.02 0.00 0.00 63.50 61.71 1xq9 n PRO 221 Cb 0.42 -2.50 -0.12 0.00 -0.02 0.00 0.00 33.50 31.28 1xq9 n PRO 221 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1xq9 s LEU 222 N 1.24 4.06 -0.21 2.45 2.96 0.77 -1.39 118.68 128.57 1xq9 s LEU 222 Ca 0.81 -0.52 -0.08 0.00 -0.22 0.00 0.00 54.13 54.11 1xq9 s LEU 222 Cb -0.71 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 43.95 1xq9 s LEU 222 CO 0.40 -0.19 0.09 -0.69 -1.32 0.00 0.00 176.35 174.65 1xq9 s VAL 223 N 1.60 4.93 -0.18 1.68 1.01 -0.09 -1.04 120.40 128.31 1xq9 s VAL 223 Ca 0.04 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 1xq9 s VAL 223 Cb -0.17 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 1xq9 s VAL 223 CO 0.06 0.41 0.01 -0.31 0.00 0.00 0.00 175.10 175.27 1xq9 s TYR 224 N 0.72 3.11 -0.19 5.22 1.51 0.17 -1.17 117.35 126.72 1xq9 s TYR 224 Ca 0.05 -0.19 -0.11 0.00 -1.01 0.00 0.00 57.07 55.80 1xq9 s TYR 224 Cb -0.13 -2.03 -0.05 0.00 -0.11 0.00 0.00 41.96 39.64 1xq9 s TYR 224 CO 0.02 -0.01 0.18 -1.21 -1.11 0.00 0.00 175.55 173.42 1xq9 s GLU 225 N 0.52 4.20 0.12 -0.62 8.01 0.36 -0.49 118.70 130.79 1xq9 s GLU 225 Ca -0.00 -0.13 0.10 0.00 0.01 0.00 0.00 54.97 54.95 1xq9 s GLU 225 Cb -0.14 -3.44 -0.04 0.00 -4.31 0.00 0.00 34.13 26.21 1xq9 s GLU 225 CO 0.02 0.25 -0.25 -0.51 0.01 0.00 0.00 175.26 174.78 1xq9 s LEU 226 N 0.48 2.30 0.85 1.80 1.02 -0.99 0.57 118.68 124.71 1xq9 s LEU 226 Ca 0.11 -0.72 -0.10 0.00 0.02 0.00 0.00 54.13 53.44 1xq9 s LEU 226 Cb -0.12 -1.11 0.16 0.00 0.02 0.00 0.00 46.19 45.14 1xq9 s LEU 226 CO 0.00 0.14 1.18 1.51 0.02 0.00 0.00 176.35 179.21 1xq9 s ASP 227 N -1.96 3.71 0.00 2.29 1.47 0.81 -4.51 116.67 118.49 1xq9 s ASP 227 Ca 0.11 0.05 0.00 0.00 1.18 0.00 0.00 52.55 53.89 1xq9 s ASP 227 Cb -0.10 -0.26 0.00 0.00 -0.34 0.00 0.00 42.92 42.22 1xq9 s ASP 227 CO 0.05 -2.32 0.87 1.21 0.68 0.00 0.00 175.17 175.66 1xq9 n GLU 228 N -3.35 0.00 -0.10 2.11 4.07 -1.26 -0.24 120.64 121.87 1xq9 n GLU 228 Ca 0.15 0.37 0.05 0.00 -0.06 0.00 0.00 57.16 57.67 1xq9 n GLU 228 Cb 0.60 -1.53 0.10 0.00 -0.06 0.00 0.00 31.44 30.55 1xq9 n GLU 228 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1xq9 n ASN 229 N -1.37 2.44 -0.19 4.31 5.03 -1.26 -4.98 115.26 119.25 1xq9 n ASN 229 Ca 0.00 -1.76 -0.02 0.00 0.87 0.00 0.00 54.58 53.66 1xq9 n ASN 229 Cb 0.03 -0.13 -0.01 0.00 -1.02 0.00 0.00 39.78 38.66 1xq9 n ASN 229 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1xq9 n LEU 230 N 0.49 -0.04 -4.71 3.41 4.77 0.66 -5.03 117.00 116.56 1xq9 n LEU 230 Ca 0.09 0.06 -0.42 0.00 -0.03 0.00 0.00 56.01 55.71 1xq9 n LEU 230 Cb 0.35 -1.05 -0.03 0.00 -2.33 0.00 0.00 43.42 40.36 1xq9 n LEU 230 CO 0.07 -0.26 0.73 -0.75 -1.33 0.00 0.00 177.39 175.85 1xq9 s LYS 231 N -1.41 4.52 0.36 3.23 2.20 -1.26 -4.76 119.74 122.62 1xq9 s LYS 231 Ca 0.00 1.48 -0.28 0.00 -0.36 0.00 0.00 55.97 56.81 1xq9 s LYS 231 Cb 0.00 -3.46 -0.12 0.00 -1.51 0.00 0.00 37.83 32.75 1xq9 s LYS 231 CO 0.00 -0.12 1.34 -2.30 -0.36 0.00 0.00 175.35 173.91 1xq9 n PRO 232 N 4.07 2.26 -0.02 4.03 -0.02 -1.26 -0.13 135.00 143.93 1xq9 n PRO 232 Ca 0.07 0.79 -0.22 0.00 -2.02 0.00 0.00 63.50 62.13 1xq9 n PRO 232 Cb 0.50 -2.42 -0.13 0.00 -0.02 0.00 0.00 33.50 31.42 1xq9 n PRO 232 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1xq9 n ILE 233 N 0.32 1.74 -3.73 4.25 5.41 0.19 -4.76 119.36 122.77 1xq9 n ILE 233 Ca 0.04 -0.54 -0.02 0.00 1.00 0.00 0.00 62.75 63.23 1xq9 n ILE 233 Cb 0.37 -1.79 -0.01 0.00 -0.71 0.00 0.00 39.64 37.50 1xq9 n ILE 233 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1xq9 s LYS 234 N -2.52 0.94 -0.04 0.38 -2.85 -1.16 -5.03 119.74 109.47 1xq9 s LYS 234 Ca -0.24 -0.53 -0.14 0.00 -1.00 0.00 0.00 55.97 54.06 1xq9 s LYS 234 Cb 0.07 0.31 0.02 0.00 -2.06 0.00 0.00 37.83 36.17 1xq9 s LYS 234 CO 0.73 -0.43 0.31 -3.38 0.10 0.00 0.00 175.35 172.68 1xq9 s HIS 235 N -2.89 -0.21 -0.01 1.78 -3.43 -1.26 -0.49 115.29 108.79 1xq9 s HIS 235 Ca 0.14 0.38 -0.20 0.00 -0.80 0.00 0.00 55.06 54.58 1xq9 s HIS 235 Cb 0.01 0.10 0.04 0.00 -1.43 0.00 0.00 32.58 31.29 1xq9 s HIS 235 CO 0.01 -0.34 0.42 1.52 -2.00 0.00 0.00 174.74 174.35 1xq9 s TYR 236 N -1.03 -0.32 -0.03 0.38 -0.85 -0.32 -4.97 117.35 110.22 1xq9 s TYR 236 Ca -0.11 0.47 -0.23 0.00 -0.52 0.00 0.00 57.07 56.68 1xq9 s TYR 236 Cb -0.05 0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.45 1xq9 s TYR 236 CO 0.03 -0.49 0.68 0.71 -1.52 0.00 0.00 175.55 174.97 1xq9 s TYR 237 N -1.56 3.64 -1.24 -3.49 2.02 -1.26 -0.91 117.35 114.54 1xq9 s TYR 237 Ca -0.11 1.28 -0.06 0.00 -0.37 0.00 0.00 57.07 57.80 1xq9 s TYR 237 Cb -0.03 -2.75 0.19 0.00 -0.40 0.00 0.00 41.96 38.97 1xq9 s TYR 237 CO 0.04 0.20 1.98 -0.11 -1.57 0.00 0.00 175.55 176.09 1xq9 n LEU 238 N 3.29 7.15 -3.64 -1.29 7.94 -0.48 -4.84 117.00 125.13 1xq9 n LEU 238 Ca -0.03 -4.88 -0.12 0.00 -1.11 0.00 0.00 56.01 49.86 1xq9 n LEU 238 Cb 0.51 -1.38 -0.07 0.00 0.53 0.00 0.00 43.42 43.01 1xq9 n LEU 238 CO 0.46 1.72 0.38 -0.22 -1.11 0.00 0.00 177.39 178.61 1xq9 s LEU 239 N -1.60 -0.72 0.00 -1.96 1.98 -1.26 -4.62 118.68 110.50 1xq9 s LEU 239 Ca 0.43 1.42 0.00 0.00 -2.89 0.00 0.00 54.13 53.09 1xq9 s LEU 239 Cb 0.13 2.36 0.00 0.00 0.66 0.00 0.00 46.19 49.34 1xq9 s LEU 239 CO -0.02 -0.24 0.00 -0.67 -1.89 0.00 0.00 176.35 173.53 1xq9 n ASP 240 N 3.14 0.00 -0.20 3.68 -0.08 -1.26 -4.58 116.55 117.25 1xq9 n ASP 240 Ca -0.16 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.28 1xq9 n ASP 240 Cb 0.56 0.00 0.47 0.00 2.34 0.00 0.00 41.12 44.50 1xq9 n ASP 240 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1xq9 h SER 241 N 0.00 0.46 0.00 1.67 0.02 -2.01 -2.31 113.55 111.38 1xq9 h SER 241 Ca 0.00 0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 60.82 1xq9 h SER 241 Cb 0.00 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 1xq9 h SER 241 CO 0.00 0.23 -1.59 -0.62 -1.14 0.00 0.00 176.83 173.70 1xq9 n GLU 242 N -4.50 1.52 0.17 3.45 -0.58 -1.26 -4.39 120.64 115.04 1xq9 n GLU 242 Ca 0.16 0.03 0.17 0.00 -0.42 0.00 0.00 57.16 57.10 1xq9 n GLU 242 Cb 0.54 -1.22 0.79 0.00 -0.57 0.00 0.00 31.44 30.98 1xq9 n GLU 242 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1xq9 h GLU 243 N 0.00 0.00 -0.51 3.49 4.81 -1.91 0.30 114.58 120.76 1xq9 h GLU 243 Ca -0.23 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.91 1xq9 h GLU 243 Cb 1.45 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.81 1xq9 h GLU 243 CO -0.01 0.00 -0.01 1.25 -0.73 0.00 0.00 179.01 179.51 1xq9 h LEU 244 N 0.00 0.85 -0.03 1.64 5.85 -1.62 -2.52 115.31 119.48 1xq9 h LEU 244 Ca 0.12 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 1xq9 h LEU 244 Cb 0.59 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1xq9 h LEU 244 CO -0.00 0.92 -0.27 0.50 -0.34 0.00 0.00 178.44 179.24 1xq9 h LYS 245 N 0.81 0.23 0.00 1.25 3.64 -1.17 -3.23 116.57 118.10 1xq9 h LYS 245 Ca 0.15 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1xq9 h LYS 245 Cb 0.50 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1xq9 h LYS 245 CO 0.02 0.90 0.00 -0.22 -2.27 0.00 0.00 179.45 177.88 1xq9 h LYS 246 N -0.36 0.00 0.00 1.90 1.63 -1.42 -1.94 116.57 116.38 1xq9 h LYS 246 Ca -0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1xq9 h LYS 246 Cb 0.97 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.60 1xq9 h LYS 246 CO 0.06 0.00 -1.26 1.17 -3.45 0.00 0.00 179.45 175.96 1xq9 n LYS 247 N -2.80 0.52 0.27 1.90 3.00 -0.95 -4.15 118.16 115.95 1xq9 n LYS 247 Ca -0.02 0.00 0.16 0.00 -0.00 0.00 0.00 58.31 58.45 1xq9 n LYS 247 Cb 0.06 -1.68 0.65 0.00 0.00 0.00 0.00 35.03 34.06 1xq9 n LYS 247 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.40 177.92 1xq9 h MET 248 N 0.00 0.00 0.00 1.64 2.86 -1.36 -3.44 114.93 114.63 1xq9 h MET 248 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1xq9 h MET 248 Cb 0.92 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.58 1xq9 h MET 248 CO 0.00 0.03 0.00 -0.25 1.06 0.00 0.00 176.91 177.75