#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xq9 s THR 10 N 0.00 0.21 -0.01 3.17 -4.23 -1.26 -5.15 115.64 108.37 1xq9 s THR 10 Ca 0.00 -0.15 0.04 0.00 -1.18 0.00 0.00 61.69 60.40 1xq9 s THR 10 Cb 0.00 -0.19 -0.01 0.00 1.34 0.00 0.00 72.50 73.64 1xq9 s THR 10 CO 0.00 0.04 -0.13 -0.89 -0.54 0.00 0.00 174.62 173.09 1xq9 s THR 11 N -0.12 1.07 0.15 3.99 2.01 -1.26 -3.86 115.64 117.62 1xq9 s THR 11 Ca 0.00 -0.57 0.07 0.00 0.31 0.00 0.00 61.69 61.50 1xq9 s THR 11 Cb -0.01 -0.89 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 1xq9 s THR 11 CO -0.00 0.30 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.90 1xq9 s TYR 12 N -0.28 2.83 -0.18 4.92 1.51 0.21 -4.93 117.35 121.43 1xq9 s TYR 12 Ca 0.05 -0.13 0.01 0.00 -1.01 0.00 0.00 57.07 55.99 1xq9 s TYR 12 Cb -0.06 -1.41 0.03 0.00 -0.11 0.00 0.00 41.96 40.42 1xq9 s TYR 12 CO -0.00 0.50 -0.17 0.99 -1.11 0.00 0.00 175.55 175.76 1xq9 s THR 13 N -1.57 1.89 -0.08 -0.71 2.01 -1.26 -0.13 115.64 115.78 1xq9 s THR 13 Ca 0.26 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.35 1xq9 s THR 13 Cb -0.10 -1.77 -0.03 0.00 0.01 0.00 0.00 72.50 70.61 1xq9 s THR 13 CO 0.17 0.43 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.23 1xq9 s LEU 14 N 1.34 3.07 -0.30 4.42 2.96 -0.29 -4.12 118.68 125.76 1xq9 s LEU 14 Ca 0.03 -0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 53.83 1xq9 s LEU 14 Cb -0.14 -1.67 0.05 0.00 0.50 0.00 0.00 46.19 44.93 1xq9 s LEU 14 CO -0.11 0.32 0.01 -0.69 -1.32 0.00 0.00 176.35 174.57 1xq9 s VAL 15 N -0.58 3.11 -0.03 1.68 1.01 -0.88 -0.37 120.40 124.34 1xq9 s VAL 15 Ca 0.09 -1.33 -0.16 0.00 0.00 0.00 0.00 61.98 60.57 1xq9 s VAL 15 Cb -0.12 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 1xq9 s VAL 15 CO 0.02 -0.11 0.44 -0.76 0.00 0.00 0.00 175.10 174.69 1xq9 s LEU 16 N 1.28 4.43 -0.10 3.92 1.43 0.15 -0.62 118.68 129.17 1xq9 s LEU 16 Ca -0.05 0.95 -0.02 0.00 -1.03 0.00 0.00 54.13 53.98 1xq9 s LEU 16 Cb -0.20 -2.64 0.04 0.00 0.03 0.00 0.00 46.19 43.42 1xq9 s LEU 16 CO -0.00 0.23 0.03 -0.22 0.23 0.00 0.00 176.35 176.62 1xq9 s LEU 17 N -0.61 0.53 0.63 1.79 0.20 0.10 0.38 118.68 121.71 1xq9 s LEU 17 Ca 0.25 -0.23 -0.10 0.00 0.69 0.00 0.00 54.13 54.73 1xq9 s LEU 17 Cb -0.17 -0.36 -0.02 0.00 -0.43 0.00 0.00 46.19 45.22 1xq9 s LEU 17 CO 0.13 -0.25 1.02 -0.60 -0.29 0.00 0.00 176.35 176.36 1xq9 s ARG 18 N 2.03 3.28 0.30 1.98 3.52 -1.26 -2.06 118.95 126.73 1xq9 s ARG 18 Ca 0.04 0.53 -0.10 0.00 -0.13 0.00 0.00 55.73 56.07 1xq9 s ARG 18 Cb -0.13 -2.11 -0.07 0.00 -1.56 0.00 0.00 34.95 31.08 1xq9 s ARG 18 CO -0.06 -0.70 0.63 -3.38 -0.81 0.00 0.00 175.30 170.98 1xq9 s HIS 19 N -3.18 3.44 1.14 5.12 -3.43 -1.19 -3.15 115.29 114.03 1xq9 s HIS 19 Ca 0.55 0.92 -0.19 0.00 -0.80 0.00 0.00 55.06 55.55 1xq9 s HIS 19 Cb -0.11 -2.32 0.27 0.00 -1.43 0.00 0.00 32.58 28.99 1xq9 s HIS 19 CO 0.52 0.13 1.20 0.20 -2.00 0.00 0.00 174.74 174.78 1xq9 s GLY 20 N -2.70 1.67 0.61 -1.38 0.00 -1.26 -3.96 107.32 100.30 1xq9 s GLY 20 Ca 0.49 -1.12 -0.18 0.00 0.00 0.00 0.00 44.72 43.91 1xq9 s GLY 20 CO 0.25 -0.24 0.44 -2.21 0.00 0.00 0.00 173.10 171.33 1xq9 n GLU 21 N -4.47 0.40 -4.70 2.90 2.13 -1.26 -4.82 120.64 110.82 1xq9 n GLU 21 Ca 0.15 0.16 -0.31 0.00 0.66 0.00 0.00 57.16 57.82 1xq9 n GLU 21 Cb 0.60 -1.66 -0.08 0.00 0.27 0.00 0.00 31.44 30.57 1xq9 n GLU 21 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1xq9 s SER 22 N -1.23 3.88 0.34 4.31 1.04 -1.26 -2.80 113.70 117.98 1xq9 s SER 22 Ca 0.66 -1.62 0.04 0.00 0.48 0.00 0.00 55.95 55.51 1xq9 s SER 22 Cb -0.42 0.40 0.66 0.00 0.10 0.00 0.00 66.02 66.77 1xq9 s SER 22 CO 0.57 -0.81 1.94 0.71 0.98 0.00 0.00 173.24 176.63 1xq9 h THR 23 N 1.48 1.04 0.00 2.02 1.35 -1.65 -2.96 112.91 114.18 1xq9 h THR 23 Ca -0.43 -0.29 -0.05 0.00 -0.55 0.00 0.00 66.41 65.09 1xq9 h THR 23 Cb 1.30 0.10 -0.01 0.00 -1.73 0.00 0.00 68.15 67.82 1xq9 h THR 23 CO 0.72 0.16 -0.22 -0.50 -0.25 0.00 0.00 175.52 175.44 1xq9 h TRP 24 N 0.86 0.00 -0.94 4.73 4.06 -1.96 -3.26 115.95 119.44 1xq9 h TRP 24 Ca 0.34 0.00 0.15 0.00 2.06 0.00 0.00 58.89 61.44 1xq9 h TRP 24 Cb 0.24 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 28.32 1xq9 h TRP 24 CO -0.00 0.22 0.60 -0.97 -3.56 0.00 0.00 178.44 174.72 1xq9 h ASN 25 N 0.00 0.72 -1.18 -3.49 -1.24 -1.87 0.12 115.58 108.64 1xq9 h ASN 25 Ca -0.00 0.05 -0.57 0.00 0.71 0.00 0.00 56.30 56.49 1xq9 h ASN 25 Cb 0.99 -0.09 -0.22 0.00 0.73 0.00 0.00 38.32 39.74 1xq9 h ASN 25 CO 0.03 0.34 0.68 0.29 -1.29 0.00 0.00 177.43 177.48 1xq9 n LYS 26 N -4.61 2.43 0.00 6.67 4.76 -1.23 -4.20 118.16 121.99 1xq9 n LYS 26 Ca 0.19 -2.70 0.00 0.00 -2.87 0.00 0.00 58.31 52.93 1xq9 n LYS 26 Cb 0.49 -2.10 0.00 0.00 -1.84 0.00 0.00 35.03 31.58 1xq9 n LYS 26 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1xq9 n GLU 27 N 0.00 2.00 -1.17 1.97 1.02 0.38 -5.07 120.64 119.76 1xq9 n GLU 27 Ca 0.49 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.57 1xq9 n GLU 27 Cb 0.50 -0.25 -0.03 0.00 -0.02 0.00 0.00 31.44 31.64 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 -0.16 -4.10 -4.76 1.62 4.13 -1.00 -4.92 115.26 106.07 1xq9 n ASN 28 Ca 0.00 0.15 -0.40 0.00 1.68 0.00 0.00 54.58 56.01 1xq9 n ASN 28 Cb 0.00 -2.13 -0.06 0.00 -1.54 0.00 0.00 39.78 36.05 1xq9 n ASN 28 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1xq9 s LYS 29 N -2.14 4.72 0.15 3.52 1.02 -1.26 -0.89 119.74 124.85 1xq9 s LYS 29 Ca 0.00 1.34 -0.31 0.00 0.02 0.00 0.00 55.97 57.02 1xq9 s LYS 29 Cb 0.00 -3.29 -0.11 0.00 -0.52 0.00 0.00 37.83 33.91 1xq9 s LYS 29 CO 0.00 0.49 1.78 -0.06 -0.92 0.00 0.00 175.35 176.64 1xq9 s PHE 30 N -0.98 2.42 -0.20 3.18 0.08 -0.30 -4.91 117.98 117.27 1xq9 s PHE 30 Ca 0.40 0.13 -0.09 0.00 0.12 0.00 0.00 56.93 57.48 1xq9 s PHE 30 Cb -0.24 -4.15 -0.09 0.00 -0.57 0.00 0.00 43.02 37.97 1xq9 s PHE 30 CO 0.29 -4.60 -0.26 -2.37 -0.10 0.00 0.00 175.22 168.18 1xq9 n THR 31 N 4.48 1.11 0.00 0.64 5.66 -1.26 -0.44 114.28 124.47 1xq9 n THR 31 Ca 0.17 -0.29 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 1xq9 n THR 31 Cb 0.37 -1.73 0.00 0.00 -1.55 0.00 0.00 70.33 67.42 1xq9 n THR 31 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xq9 n GLY 32 N 1.79 2.99 0.36 1.09 0.00 -1.26 -0.66 105.19 109.49 1xq9 n GLY 32 Ca -0.40 0.28 0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 12.35 0.17 -2.12 1.61 7.02 -1.26 -4.66 117.44 130.55 1xq9 n TRP 33 Ca 0.00 -0.08 -0.42 0.00 -1.02 0.00 0.00 57.50 55.98 1xq9 n TRP 33 Cb 0.00 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.86 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 -1.83 3.16 -1.41 -0.99 2.01 0.16 -4.90 115.64 111.83 1xq9 s THR 34 Ca 0.27 0.83 -0.11 0.00 0.31 0.00 0.00 61.69 62.99 1xq9 s THR 34 Cb 0.14 -3.53 0.07 0.00 0.01 0.00 0.00 72.50 69.18 1xq9 s THR 34 CO 0.21 0.06 2.26 -0.67 -0.69 0.00 0.00 174.62 175.80 1xq9 n ASP 35 N 3.96 5.64 -4.81 3.53 2.03 -1.26 -4.95 116.55 120.70 1xq9 n ASP 35 Ca 0.12 -2.92 -0.37 0.00 0.52 0.00 0.00 54.79 52.14 1xq9 n ASP 35 Cb 0.41 -1.54 -0.06 0.00 -0.72 0.00 0.00 41.12 39.21 1xq9 n ASP 35 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1xq9 s VAL 36 N 1.54 4.55 0.78 5.18 -7.23 -1.26 -4.86 120.40 119.09 1xq9 s VAL 36 Ca 0.49 1.34 -0.11 0.00 -1.81 0.00 0.00 61.98 61.89 1xq9 s VAL 36 Cb 0.14 -3.90 0.06 0.00 0.56 0.00 0.00 36.38 33.23 1xq9 s VAL 36 CO -0.05 0.28 1.08 -2.16 -0.31 0.00 0.00 175.10 173.94 1xq9 s PRO 37 N -1.78 2.22 0.92 4.82 0.04 -1.26 -3.87 135.00 136.10 1xq9 s PRO 37 Ca 0.41 0.93 -0.11 0.00 0.04 0.00 0.00 61.00 62.27 1xq9 s PRO 37 Cb -0.18 -1.91 0.13 0.00 0.04 0.00 0.00 34.50 32.58 1xq9 s PRO 37 CO 0.22 -1.60 1.01 1.28 0.04 0.00 0.00 177.00 177.95 1xq9 n LEU 38 N -3.46 2.69 -5.00 -3.56 4.77 -1.26 -2.26 117.00 108.93 1xq9 n LEU 38 Ca 0.08 0.40 -0.18 0.00 -0.03 0.00 0.00 56.01 56.28 1xq9 n LEU 38 Cb 0.54 -1.43 0.02 0.00 -2.33 0.00 0.00 43.42 40.22 1xq9 n LEU 38 CO 0.55 -2.43 0.20 -0.94 -1.33 0.00 0.00 177.39 173.45 1xq9 s SER 39 N -2.52 5.57 0.26 -1.43 1.04 -1.12 -4.38 113.70 111.11 1xq9 s SER 39 Ca 0.65 -0.31 -0.12 0.00 0.48 0.00 0.00 55.95 56.66 1xq9 s SER 39 Cb -0.23 -0.74 0.36 0.00 0.10 0.00 0.00 66.02 65.52 1xq9 s SER 39 CO 0.60 -0.85 1.56 -0.33 0.98 0.00 0.00 173.24 175.20 1xq9 h GLU 40 N 0.50 -0.01 -0.50 4.02 5.08 -1.96 -1.34 114.58 120.37 1xq9 h GLU 40 Ca -0.41 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.93 1xq9 h GLU 40 Cb 1.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1xq9 h GLU 40 CO 0.47 -0.00 0.22 -0.22 -1.00 0.00 0.00 179.01 178.48 1xq9 h LYS 41 N -0.01 0.73 0.00 2.33 3.64 -1.94 -2.46 116.57 118.87 1xq9 h LYS 41 Ca 0.42 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1xq9 h LYS 41 Cb 0.66 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1xq9 h LYS 41 CO -0.99 0.63 -0.15 0.78 -2.27 0.00 0.00 179.45 177.45 1xq9 h GLY 42 N 0.66 0.00 0.91 5.01 0.00 -1.37 -0.94 103.07 107.35 1xq9 h GLY 42 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.42 1xq9 h GLY 42 CO -0.02 0.00 -0.13 0.83 0.00 0.00 0.00 176.54 177.22 1xq9 h GLU 43 N 0.00 0.61 -0.66 4.80 4.39 -1.03 -2.78 114.58 119.91 1xq9 h GLU 43 Ca -0.00 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.43 1xq9 h GLU 43 Cb 0.49 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 1xq9 h GLU 43 CO 0.02 0.84 0.37 0.93 -1.16 0.00 0.00 179.01 180.01 1xq9 h GLU 44 N 0.36 0.91 -0.72 2.33 5.08 -0.83 -2.49 114.58 119.23 1xq9 h GLU 44 Ca 0.07 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1xq9 h GLU 44 Cb 0.65 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1xq9 h GLU 44 CO 0.04 0.66 0.26 0.93 -1.00 0.00 0.00 179.01 179.90 1xq9 h GLU 45 N 0.92 1.09 -0.08 2.33 5.08 -1.11 -1.83 114.58 120.97 1xq9 h GLU 45 Ca 0.24 -0.21 -0.18 0.00 -1.00 0.00 0.00 59.36 58.20 1xq9 h GLU 45 Cb 0.00 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 1xq9 h GLU 45 CO -0.04 0.91 -0.73 0.00 -1.00 0.00 0.00 179.01 178.15 1xq9 h ALA 46 N 1.12 0.59 -0.04 3.43 0.00 -1.29 -1.41 119.26 121.65 1xq9 h ALA 46 Ca 0.24 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1xq9 h ALA 46 Cb 0.25 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1xq9 h ALA 46 CO -0.01 0.76 0.01 0.82 0.00 0.00 0.00 179.25 180.82 1xq9 h ILE 47 N 0.29 1.18 0.10 0.00 2.04 -1.42 -1.75 117.51 117.95 1xq9 h ILE 47 Ca -0.03 -0.55 0.02 0.00 1.00 0.00 0.00 64.86 65.30 1xq9 h ILE 47 Cb 1.30 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 38.83 1xq9 h ILE 47 CO 0.13 0.15 -0.26 0.00 0.00 0.00 0.00 178.15 178.17 1xq9 h ALA 48 N 0.79 -0.42 -0.42 1.87 0.00 -1.29 0.13 119.26 119.92 1xq9 h ALA 48 Ca 0.01 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1xq9 h ALA 48 Cb 0.23 0.43 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 1xq9 h ALA 48 CO 0.00 -0.79 -0.37 0.00 0.00 0.00 0.00 179.25 178.09 1xq9 h ALA 49 N 0.30 -0.27 -0.71 0.00 0.00 -1.27 0.20 119.26 117.50 1xq9 h ALA 49 Ca 0.04 0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.19 1xq9 h ALA 49 Cb 0.49 0.79 -0.11 0.00 0.00 0.00 0.00 17.79 18.96 1xq9 h ALA 49 CO -0.16 -0.78 0.11 0.78 0.00 0.00 0.00 179.25 179.20 1xq9 h GLY 50 N -0.28 0.92 0.73 0.00 0.00 -0.75 -0.19 103.07 103.50 1xq9 h GLY 50 Ca 0.16 0.01 0.06 0.00 0.00 0.00 0.00 47.33 47.57 1xq9 h GLY 50 CO -0.56 -0.22 0.54 1.70 0.00 0.00 0.00 176.54 178.00 1xq9 h LYS 51 N 0.21 0.96 -0.26 4.80 3.64 0.20 0.38 116.57 126.50 1xq9 h LYS 51 Ca 0.40 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.57 1xq9 h LYS 51 Cb 0.68 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1xq9 h LYS 51 CO -0.54 0.64 -0.41 -0.92 -2.27 0.00 0.00 179.45 175.94 1xq9 h TYR 52 N 0.99 0.92 -0.28 1.91 3.20 0.06 -1.65 116.97 122.12 1xq9 h TYR 52 Ca 0.38 -0.31 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 1xq9 h TYR 52 Cb 0.16 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1xq9 h TYR 52 CO -0.03 1.10 0.16 -0.07 -1.64 0.00 0.00 178.16 177.68 1xq9 h LEU 53 N 0.48 0.35 -0.22 2.82 3.38 -0.57 -1.78 115.31 119.76 1xq9 h LEU 53 Ca 0.02 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.96 1xq9 h LEU 53 Cb 1.01 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 1xq9 h LEU 53 CO 0.09 0.31 -0.03 0.50 0.09 0.00 0.00 178.44 179.41 1xq9 h LYS 54 N 0.35 0.03 0.00 1.13 1.63 -0.89 -1.47 116.57 117.36 1xq9 h LYS 54 Ca 0.10 -0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.86 1xq9 h LYS 54 Cb 0.04 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 1xq9 h LYS 54 CO -0.02 0.02 -0.19 0.93 -3.45 0.00 0.00 179.45 176.75 1xq9 h GLU 55 N 0.03 0.00 -0.02 1.90 5.08 -0.96 -2.01 114.58 118.59 1xq9 h GLU 55 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1xq9 h GLU 55 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1xq9 h GLU 55 CO -0.20 0.19 -0.21 1.63 -1.00 0.00 0.00 179.01 179.42 1xq9 n LYS 56 N -3.81 1.83 -2.77 2.33 4.76 -0.70 -4.98 118.16 114.83 1xq9 n LYS 56 Ca -0.02 -1.51 -0.07 0.00 -2.87 0.00 0.00 58.31 53.84 1xq9 n LYS 56 Cb 0.29 -1.47 0.02 0.00 -1.84 0.00 0.00 35.03 32.03 1xq9 n LYS 56 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1xq9 n ASN 57 N 0.74 -3.29 -4.66 4.39 3.02 -0.62 -5.04 115.26 109.80 1xq9 n ASN 57 Ca 0.12 -0.15 -0.42 0.00 -0.03 0.00 0.00 54.58 54.10 1xq9 n ASN 57 Cb 0.54 -1.92 -0.04 0.00 -0.61 0.00 0.00 39.78 37.75 1xq9 n ASN 57 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1xq9 s PHE 58 N -3.02 3.39 0.09 3.10 0.40 -0.81 -5.04 117.98 116.10 1xq9 s PHE 58 Ca 0.16 1.30 0.04 0.00 -0.60 0.00 0.00 56.93 57.83 1xq9 s PHE 58 Cb -0.07 -3.08 -0.04 0.00 0.51 0.00 0.00 43.02 40.34 1xq9 s PHE 58 CO 0.20 -0.31 0.06 0.15 0.70 0.00 0.00 175.22 176.02 1xq9 s LYS 59 N 2.45 2.76 0.04 0.44 -0.14 -1.26 -4.67 119.74 119.36 1xq9 s LYS 59 Ca 0.39 -0.76 0.09 0.00 -1.36 0.00 0.00 55.97 54.33 1xq9 s LYS 59 Cb -0.16 -2.65 -0.03 0.00 -1.68 0.00 0.00 37.83 33.31 1xq9 s LYS 59 CO 0.11 0.55 -0.26 -0.06 -0.76 0.00 0.00 175.35 174.93 1xq9 s PHE 60 N -1.40 2.25 -0.19 3.18 0.08 -1.26 -4.77 117.98 115.87 1xq9 s PHE 60 Ca 0.28 -0.41 0.18 0.00 0.12 0.00 0.00 56.93 57.10 1xq9 s PHE 60 Cb -0.12 -1.35 -0.25 0.00 -0.57 0.00 0.00 43.02 40.73 1xq9 s PHE 60 CO 0.21 0.12 0.10 -0.25 -0.10 0.00 0.00 175.22 175.29 1xq9 n ASP 61 N 1.81 0.06 -3.82 1.36 9.92 0.90 -4.94 116.55 121.83 1xq9 n ASP 61 Ca -0.17 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 53.97 1xq9 n ASP 61 Cb 0.52 1.06 -0.12 0.00 -0.64 0.00 0.00 41.12 41.94 1xq9 n ASP 61 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1xq9 s VAL 62 N -2.55 0.02 -0.11 2.53 1.01 -1.17 -4.18 120.40 115.96 1xq9 s VAL 62 Ca -0.10 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.74 1xq9 s VAL 62 Cb 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 36.14 1xq9 s VAL 62 CO 0.83 -0.10 -0.22 -0.69 0.00 0.00 0.00 175.10 174.92 1xq9 s VAL 63 N -0.30 1.97 -0.11 2.92 1.01 -0.97 -2.16 120.40 122.78 1xq9 s VAL 63 Ca -0.04 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 1xq9 s VAL 63 Cb -0.03 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1xq9 s VAL 63 CO 0.01 0.54 0.05 -0.31 0.00 0.00 0.00 175.10 175.39 1xq9 s TYR 64 N 0.56 3.32 0.29 5.22 2.02 -0.64 -0.73 117.35 127.38 1xq9 s TYR 64 Ca -0.14 0.29 -0.04 0.00 -0.37 0.00 0.00 57.07 56.81 1xq9 s TYR 64 Cb -0.17 -1.87 -0.01 0.00 -0.40 0.00 0.00 41.96 39.51 1xq9 s TYR 64 CO 0.04 0.52 0.40 -0.08 -1.57 0.00 0.00 175.55 174.87 1xq9 s THR 65 N -0.79 0.00 0.05 -0.71 -1.32 0.11 -1.79 115.64 111.18 1xq9 s THR 65 Ca 0.13 -1.65 -0.01 0.00 -1.21 0.00 0.00 61.69 58.95 1xq9 s THR 65 Cb -0.12 -2.50 0.01 0.00 -1.51 0.00 0.00 72.50 68.38 1xq9 s THR 65 CO 0.03 0.00 0.06 -1.54 -2.21 0.00 0.00 174.62 170.96 1xq9 n SER 66 N -0.98 0.01 -1.01 8.08 3.41 -1.26 0.55 113.62 122.42 1xq9 n SER 66 Ca 0.01 -1.02 0.08 0.00 -0.26 0.00 0.00 58.87 57.68 1xq9 n SER 66 Cb 0.62 -0.05 0.24 0.00 -0.26 0.00 0.00 64.21 64.77 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 -2.07 1.39 -3.24 -3.33 0.24 -1.23 -3.83 118.33 106.26 1xq9 n VAL 67 Ca 0.01 -1.18 -0.40 0.00 -2.04 0.00 0.00 64.34 60.73 1xq9 n VAL 67 Cb 0.03 0.30 -0.07 0.00 -1.47 0.00 0.00 33.84 32.63 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 -1.47 4.08 0.28 1.34 1.02 -1.26 -4.96 118.68 117.70 1xq9 s LEU 68 Ca 0.37 0.57 0.17 0.00 0.02 0.00 0.00 54.13 55.26 1xq9 s LEU 68 Cb 0.22 -2.68 0.98 0.00 0.02 0.00 0.00 46.19 44.74 1xq9 s LEU 68 CO 0.20 -0.26 1.11 1.17 0.02 0.00 0.00 176.35 178.58 1xq9 n LYS 69 N 5.34 -0.04 0.25 1.70 4.81 -1.26 -0.59 118.16 128.37 1xq9 n LYS 69 Ca -0.04 0.94 0.13 0.00 -0.87 0.00 0.00 58.31 58.47 1xq9 n LYS 69 Cb 0.50 -1.74 0.52 0.00 0.02 0.00 0.00 35.03 34.33 1xq9 n LYS 69 CO 0.00 0.00 0.00 0.07 1.17 0.00 0.00 177.40 178.64 1xq9 h ARG 70 N 0.00 0.00 0.06 1.64 0.11 -1.92 -0.82 114.38 113.45 1xq9 h ARG 70 Ca 0.60 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 60.33 1xq9 h ARG 70 Cb 1.72 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.76 1xq9 h ARG 70 CO -0.47 0.10 -1.98 0.00 0.10 0.00 0.00 179.97 177.72 1xq9 n ALA 71 N -2.15 0.99 -0.19 0.08 0.00 0.25 -3.65 120.51 115.84 1xq9 n ALA 71 Ca 0.01 -0.71 -0.02 0.00 0.00 0.00 0.00 53.44 52.72 1xq9 n ALA 71 Cb 0.39 -0.47 0.05 0.00 0.00 0.00 0.00 19.45 19.42 1xq9 n ALA 71 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1xq9 h ILE 72 N -0.27 0.41 -0.39 0.00 2.04 -1.45 0.05 117.51 117.89 1xq9 h ILE 72 Ca -0.46 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 1xq9 h ILE 72 Cb 1.81 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 1xq9 h ILE 72 CO -0.06 0.00 0.22 0.00 0.00 0.00 0.00 178.15 178.31 1xq9 h THR 74 N 0.54 0.18 -0.61 0.00 2.02 -1.26 0.16 112.91 113.95 1xq9 h THR 74 Ca 0.14 -0.01 0.12 0.00 0.77 0.00 0.00 66.41 67.43 1xq9 h THR 74 Cb 0.02 0.19 -0.10 0.00 -1.74 0.00 0.00 68.15 66.52 1xq9 h THR 74 CO -0.02 0.00 0.06 0.00 0.37 0.00 0.00 175.52 175.93 1xq9 h ALA 75 N -0.94 0.67 -0.25 6.16 0.00 -0.87 -1.73 119.26 122.28 1xq9 h ALA 75 Ca -0.11 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1xq9 h ALA 75 Cb 0.85 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1xq9 h ALA 75 CO 0.19 -0.36 0.09 2.35 0.00 0.00 0.00 179.25 181.52 1xq9 h TRP 76 N 0.18 0.40 -0.03 0.00 2.91 -1.00 -1.17 115.95 117.23 1xq9 h TRP 76 Ca 0.32 -0.04 -0.05 0.00 1.13 0.00 0.00 58.89 60.26 1xq9 h TRP 76 Cb 0.51 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 29.04 1xq9 h TRP 76 CO -0.31 0.43 -0.20 -0.91 -1.03 0.00 0.00 178.44 176.42 1xq9 h ASN 77 N 0.25 0.05 -0.05 2.65 2.35 -0.37 -0.78 115.58 119.69 1xq9 h ASN 77 Ca 0.08 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1xq9 h ASN 77 Cb 0.21 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 1xq9 h ASN 77 CO -0.00 0.26 -0.03 0.58 -1.65 0.00 0.00 177.43 176.59 1xq9 h VAL 78 N 0.05 1.35 -0.69 2.81 2.07 -0.90 -2.33 116.25 118.61 1xq9 h VAL 78 Ca 0.01 -1.09 -0.06 0.00 0.82 0.00 0.00 66.70 66.38 1xq9 h VAL 78 Cb 0.39 1.98 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 1xq9 h VAL 78 CO 0.03 0.29 0.19 -0.07 0.02 0.00 0.00 177.57 178.03 1xq9 h LEU 79 N -0.31 1.01 0.50 2.57 3.38 -0.83 0.11 115.31 121.72 1xq9 h LEU 79 Ca 0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1xq9 h LEU 79 Cb 0.49 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1xq9 h LEU 79 CO 0.01 0.95 -0.24 0.50 0.09 0.00 0.00 178.44 179.75 1xq9 h LYS 80 N 1.02 -0.64 -0.68 1.13 3.64 -1.16 0.35 116.57 120.23 1xq9 h LYS 80 Ca 0.22 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.71 1xq9 h LYS 80 Cb 0.33 0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.23 1xq9 h LYS 80 CO -0.00 -0.40 0.37 1.15 -2.27 0.00 0.00 179.45 178.30 1xq9 h THR 81 N -0.73 0.94 -0.01 1.00 2.02 -1.27 -1.96 112.91 112.90 1xq9 h THR 81 Ca -0.07 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1xq9 h THR 81 Cb 0.54 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1xq9 h THR 81 CO 0.11 0.12 -0.02 0.00 0.37 0.00 0.00 175.52 176.11 1xq9 n ALA 82 N -2.37 2.65 -3.21 6.16 0.00 0.36 -4.85 120.51 119.26 1xq9 n ALA 82 Ca 0.09 -0.31 -0.15 0.00 0.00 0.00 0.00 53.44 53.07 1xq9 n ALA 82 Cb 0.20 -1.34 0.08 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.50 -2.65 -2.34 0.00 4.64 0.97 -4.94 116.55 111.72 1xq9 n ASP 83 Ca 0.21 -0.55 -0.03 0.00 -1.38 0.00 0.00 54.79 53.03 1xq9 n ASP 83 Cb 0.24 -4.54 0.05 0.00 -1.04 0.00 0.00 41.12 35.83 1xq9 n ASP 83 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 1xq9 n LEU 84 N -3.61 2.10 0.29 -2.67 4.77 0.29 -4.88 117.00 113.29 1xq9 n LEU 84 Ca -0.22 -3.18 0.19 0.00 -0.03 0.00 0.00 56.01 52.77 1xq9 n LEU 84 Cb 0.64 0.20 0.95 0.00 -2.33 0.00 0.00 43.42 42.88 1xq9 n LEU 84 CO 0.53 1.14 1.07 -0.07 -1.33 0.00 0.00 177.39 178.73 1xq9 h LEU 85 N 2.16 0.00 -0.22 2.23 -0.00 -1.91 -1.18 115.31 116.39 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 1.42 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.08 1xq9 h LEU 85 CO 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.69 1xq9 n HIS 86 N -2.95 0.82 -2.26 1.13 1.44 -1.26 -4.85 115.22 107.28 1xq9 n HIS 86 Ca -0.01 0.26 -0.42 0.00 -2.01 0.00 0.00 57.72 55.55 1xq9 n HIS 86 Cb 0.15 -0.93 -0.03 0.00 0.12 0.00 0.00 29.99 29.30 1xq9 n HIS 86 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1xq9 s VAL 87 N -3.16 3.40 0.45 0.61 1.01 -0.45 -4.96 120.40 117.30 1xq9 s VAL 87 Ca 0.09 1.10 -0.23 0.00 0.00 0.00 0.00 61.98 62.93 1xq9 s VAL 87 Cb 0.12 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 1xq9 s VAL 87 CO 0.52 0.14 1.17 -2.16 0.00 0.00 0.00 175.10 174.77 1xq9 s PRO 88 N 0.31 3.79 -0.11 2.72 0.04 -1.26 -4.86 135.00 135.64 1xq9 s PRO 88 Ca 0.58 1.80 0.03 0.00 0.04 0.00 0.00 61.00 63.45 1xq9 s PRO 88 Cb -0.35 -2.45 0.01 0.00 0.04 0.00 0.00 34.50 31.75 1xq9 s PRO 88 CO 0.35 -0.53 -0.20 0.08 0.04 0.00 0.00 177.00 176.73 1xq9 s VAL 89 N -1.52 1.82 -0.17 -0.36 1.01 -1.26 -2.28 120.40 117.64 1xq9 s VAL 89 Ca 0.63 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.74 1xq9 s VAL 89 Cb -0.29 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.48 1xq9 s VAL 89 CO 0.36 0.51 -0.14 -0.69 0.00 0.00 0.00 175.10 175.13 1xq9 s VAL 90 N 0.63 2.66 -0.19 2.92 1.01 0.09 -5.00 120.40 122.53 1xq9 s VAL 90 Ca -0.13 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 1xq9 s VAL 90 Cb -0.16 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 1xq9 s VAL 90 CO 0.03 0.50 -0.02 -0.54 0.00 0.00 0.00 175.10 175.08 1xq9 s LYS 91 N 1.04 3.62 -0.02 2.72 1.02 -1.26 0.04 119.74 126.90 1xq9 s LYS 91 Ca -0.01 -0.53 -0.01 0.00 0.02 0.00 0.00 55.97 55.44 1xq9 s LYS 91 Cb -0.15 -3.02 0.01 0.00 -0.52 0.00 0.00 37.83 34.16 1xq9 s LYS 91 CO -0.04 0.08 0.04 -0.08 -0.92 0.00 0.00 175.35 174.43 1xq9 s THR 92 N 0.82 -0.01 0.53 2.17 -1.32 0.19 -4.85 115.64 113.16 1xq9 s THR 92 Ca -0.00 0.05 0.17 0.00 -1.21 0.00 0.00 61.69 60.70 1xq9 s THR 92 Cb -0.14 -0.08 0.28 0.00 -1.51 0.00 0.00 72.50 71.05 1xq9 s THR 92 CO 0.02 0.02 2.16 4.11 -2.21 0.00 0.00 174.62 178.72 1xq9 h TRP 93 N 6.39 0.00 0.00 9.09 5.08 -1.89 0.14 115.95 134.76 1xq9 h TRP 93 Ca -0.29 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.68 1xq9 h TRP 93 Cb 1.19 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.35 1xq9 h TRP 93 CO 0.43 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.59 1xq9 h ARG 94 N 0.00 0.00 -0.11 0.12 3.08 -1.92 0.15 114.38 115.70 1xq9 h ARG 94 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xq9 h ARG 94 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1xq9 h ARG 94 CO -0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 1xq9 n LEU 95 N -2.56 2.76 -4.52 3.04 4.77 0.49 -4.19 117.00 116.78 1xq9 n LEU 95 Ca -0.02 -1.00 -0.33 0.00 -0.03 0.00 0.00 56.01 54.63 1xq9 n LEU 95 Cb 0.05 -0.06 0.13 0.00 -2.33 0.00 0.00 43.42 41.21 1xq9 n LEU 95 CO 0.13 0.50 0.24 0.59 -1.33 0.00 0.00 177.39 177.53 1xq9 n ASN 96 N 1.12 -0.93 -4.43 -1.43 3.02 0.51 -4.13 115.26 108.99 1xq9 n ASN 96 Ca 0.16 0.42 -0.38 0.00 -0.03 0.00 0.00 54.58 54.76 1xq9 n ASN 96 Cb 0.54 -1.32 0.04 0.00 -0.61 0.00 0.00 39.78 38.44 1xq9 n ASN 96 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1xq9 n GLU 97 N -2.42 0.39 -1.66 3.52 4.07 -1.26 -4.33 120.64 118.94 1xq9 n GLU 97 Ca 0.09 0.16 -0.50 0.00 -0.06 0.00 0.00 57.16 56.85 1xq9 n GLU 97 Cb 0.52 -1.63 -0.05 0.00 -0.06 0.00 0.00 31.44 30.22 1xq9 n GLU 97 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 1xq9 n ARG 98 N 0.04 1.72 -1.89 5.31 0.63 -1.26 -4.74 116.66 116.47 1xq9 n ARG 98 Ca 0.10 0.63 -0.42 0.00 -0.92 0.00 0.00 57.85 57.24 1xq9 n ARG 98 Cb 0.48 -2.37 -0.03 0.00 0.45 0.00 0.00 32.46 30.99 1xq9 n ARG 98 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1xq9 s HIS 99 N 2.27 3.00 -1.10 -0.14 5.65 -1.26 -4.43 115.29 119.28 1xq9 s HIS 99 Ca 0.88 0.55 0.14 0.00 0.25 0.00 0.00 55.06 56.89 1xq9 s HIS 99 Cb -0.83 -3.97 0.61 0.00 -1.18 0.00 0.00 32.58 27.21 1xq9 s HIS 99 CO 0.50 -3.63 1.48 0.66 -0.65 0.00 0.00 174.74 173.10 1xq9 n TYR 100 N 4.06 1.30 -3.86 3.88 4.01 -1.26 -1.84 117.16 123.45 1xq9 n TYR 100 Ca 0.14 -0.50 0.00 0.00 -0.16 0.00 0.00 57.90 57.38 1xq9 n TYR 100 Cb 0.38 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 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 0.92 2.97 0.03 2.72 0.00 -1.26 -1.78 105.19 108.79 1xq9 n GLY 101 Ca 0.21 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 46.01 1xq9 n GLY 101 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xq9 n SER 102 N 2.06 0.21 0.29 1.61 3.41 -0.27 -3.01 113.62 117.91 1xq9 n SER 102 Ca 0.00 0.53 0.18 0.00 -0.26 0.00 0.00 58.87 59.32 1xq9 n SER 102 Cb 0.00 -0.58 0.82 0.00 -0.26 0.00 0.00 64.21 64.19 1xq9 n SER 102 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1xq9 h LEU 103 N 0.00 0.00 -9.92 1.04 3.38 -1.60 -3.45 115.31 104.77 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 0.46 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.32 1xq9 h LEU 103 CO 0.00 0.03 0.78 1.67 0.09 0.00 0.00 178.44 181.01 1xq9 n GLN 104 N -3.19 2.67 0.00 1.13 7.27 -1.16 -1.23 117.38 122.87 1xq9 n GLN 104 Ca -0.01 0.94 0.00 0.00 0.07 0.00 0.00 57.00 58.00 1xq9 n GLN 104 Cb 0.24 -2.67 0.00 0.00 2.41 0.00 0.00 30.24 30.22 1xq9 n GLN 104 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1xq9 n GLY 105 N 0.66 2.75 3.81 1.69 0.00 0.41 -4.99 105.19 109.52 1xq9 n GLY 105 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 4.03 -0.03 0.99 1.02 -0.36 -4.76 118.68 119.57 1xq9 s LEU 106 Ca 0.00 1.78 -0.30 0.00 0.02 0.00 0.00 54.13 55.63 1xq9 s LEU 106 Cb 0.00 -4.40 -0.03 0.00 0.02 0.00 0.00 46.19 41.79 1xq9 s LEU 106 CO 0.00 -0.36 1.03 0.21 0.02 0.00 0.00 176.35 177.25 1xq9 s ASN 107 N -1.98 7.27 0.19 2.29 3.84 -1.26 -1.15 114.94 124.14 1xq9 s ASN 107 Ca 0.60 1.67 -0.13 0.00 0.21 0.00 0.00 52.86 55.21 1xq9 s ASN 107 Cb -0.13 -2.57 0.19 0.00 -0.55 0.00 0.00 41.25 38.20 1xq9 s ASN 107 CO 0.17 -0.37 1.72 0.11 -2.79 0.00 0.00 177.10 175.95 1xq9 h LYS 108 N 6.95 0.25 -0.07 0.43 1.57 -1.36 -0.08 116.57 124.25 1xq9 h LYS 108 Ca -0.37 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.32 1xq9 h LYS 108 Cb 1.19 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1xq9 h LYS 108 CO 0.80 0.17 -0.22 0.66 -0.57 0.00 0.00 179.45 180.28 1xq9 h SER 109 N 0.26 0.32 -0.01 0.86 4.64 -1.93 -2.03 113.55 115.65 1xq9 h SER 109 Ca 0.25 -0.61 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1xq9 h SER 109 Cb 0.33 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1xq9 h SER 109 CO -0.31 0.88 0.05 -0.08 -0.87 0.00 0.00 176.83 176.49 1xq9 h GLU 110 N -0.21 0.00 0.00 4.77 4.22 -1.86 0.10 114.58 121.60 1xq9 h GLU 110 Ca -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.42 1xq9 h GLU 110 Cb 0.85 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 1xq9 h GLU 110 CO 0.05 0.00 -1.22 0.25 -2.18 0.00 0.00 179.01 175.91 1xq9 n THR 111 N -3.21 0.53 1.06 0.32 -2.24 -0.08 -2.29 114.28 108.36 1xq9 n THR 111 Ca -0.03 -0.55 0.10 0.00 -2.27 0.00 0.00 64.05 61.31 1xq9 n THR 111 Cb 0.12 -0.29 0.55 0.00 -2.10 0.00 0.00 70.33 68.61 1xq9 n THR 111 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xq9 n ALA 112 N -2.21 2.13 0.00 6.98 0.00 0.29 -3.01 120.51 124.70 1xq9 n ALA 112 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1xq9 n ALA 112 Cb 0.57 -1.34 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 1xq9 n ALA 112 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1xq9 n LYS 113 N -1.23 5.68 -0.28 0.00 2.85 -0.79 -3.92 118.16 120.47 1xq9 n LYS 113 Ca 0.11 -0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.48 1xq9 n LYS 113 Cb 0.15 -0.60 0.27 0.00 -0.65 0.00 0.00 35.03 34.21 1xq9 n LYS 113 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1xq9 n LYS 114 N -1.09 2.43 -3.57 -1.58 5.02 -0.97 -4.95 118.16 113.45 1xq9 n LYS 114 Ca 0.00 -2.22 -0.07 0.00 -2.02 0.00 0.00 58.31 54.00 1xq9 n LYS 114 Cb 0.00 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.50 1xq9 n LYS 114 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1xq9 s TYR 115 N -1.26 -0.29 0.53 2.13 2.02 -1.16 -5.05 117.35 114.28 1xq9 s TYR 115 Ca 0.41 0.11 -0.19 0.00 -0.37 0.00 0.00 57.07 57.03 1xq9 s TYR 115 Cb 0.22 0.56 -0.09 0.00 -0.40 0.00 0.00 41.96 42.25 1xq9 s TYR 115 CO 0.29 -0.61 0.62 0.41 -1.57 0.00 0.00 175.55 174.69 1xq9 n GLY 116 N -0.30 -1.24 0.00 0.71 0.00 -1.26 -4.50 105.19 98.59 1xq9 n GLY 116 Ca -0.08 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 45.94 1xq9 n GLY 116 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1xq9 n GLU 117 N -0.02 0.04 0.02 1.61 0.28 -1.25 -2.69 120.64 118.63 1xq9 n GLU 117 Ca 0.12 0.13 0.11 0.00 -0.16 0.00 0.00 57.16 57.36 1xq9 n GLU 117 Cb 0.45 -1.50 -0.11 0.00 1.43 0.00 0.00 31.44 31.71 1xq9 n GLU 117 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1xq9 n GLU 118 N -1.47 0.57 0.08 3.44 -0.58 -1.26 -3.84 120.64 117.58 1xq9 n GLU 118 Ca 0.06 -0.10 -0.12 0.00 -0.42 0.00 0.00 57.16 56.58 1xq9 n GLU 118 Cb 0.23 -1.60 -0.08 0.00 -0.57 0.00 0.00 31.44 29.43 1xq9 n GLU 118 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1xq9 h GLN 119 N 0.00 -0.24 -0.36 3.49 1.08 -1.86 -2.94 115.11 114.28 1xq9 h GLN 119 Ca 0.00 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.32 1xq9 h GLN 119 Cb 0.94 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.42 1xq9 h GLN 119 CO 0.00 0.14 0.33 -0.39 -0.95 0.00 0.00 178.83 177.97 1xq9 h VAL 120 N -0.72 0.53 -0.05 -0.54 -1.51 -1.73 -2.11 116.25 110.11 1xq9 h VAL 120 Ca -0.03 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.39 1xq9 h VAL 120 Cb 0.50 0.75 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 1xq9 h VAL 120 CO 0.04 0.00 -0.19 0.50 -1.23 0.00 0.00 177.57 176.69 1xq9 h LYS 121 N 0.00 0.21 -0.88 5.19 3.64 -1.66 -2.01 116.57 121.07 1xq9 h LYS 121 Ca 0.17 -0.17 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1xq9 h LYS 121 Cb 0.83 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.63 1xq9 h LYS 121 CO -0.00 0.81 0.57 0.82 -2.27 0.00 0.00 179.45 179.38 1xq9 h ILE 122 N -0.33 1.04 0.00 2.00 2.04 -1.30 0.73 117.51 121.69 1xq9 h ILE 122 Ca -0.01 -0.33 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 1xq9 h ILE 122 Cb 0.84 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1xq9 h ILE 122 CO 0.04 0.18 -0.28 -0.50 0.00 0.00 0.00 178.15 177.58 1xq9 h TRP 123 N 0.97 0.00 0.00 1.37 6.55 -1.36 -2.86 115.95 120.62 1xq9 h TRP 123 Ca 0.38 0.00 -0.35 0.00 0.95 0.00 0.00 58.89 59.87 1xq9 h TRP 123 Cb 0.24 0.00 -0.06 0.00 -0.86 0.00 0.00 29.16 28.48 1xq9 h TRP 123 CO -0.00 0.28 -2.34 -2.13 -1.05 0.00 0.00 178.44 173.21 1xq9 n ARG 124 N -3.27 0.62 0.00 0.49 0.63 -0.76 -4.66 116.66 109.71 1xq9 n ARG 124 Ca 0.01 0.12 0.00 0.00 -0.92 0.00 0.00 57.85 57.07 1xq9 n ARG 124 Cb 0.55 -1.47 -0.00 0.00 0.45 0.00 0.00 32.46 31.99 1xq9 n ARG 124 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1xq9 n ARG 125 N -3.15 4.93 -0.43 -0.14 3.00 0.25 -5.02 116.66 116.10 1xq9 n ARG 125 Ca -0.41 -0.13 -0.04 0.00 -0.00 0.00 0.00 57.85 57.27 1xq9 n ARG 125 Cb 0.96 -0.65 0.02 0.00 0.00 0.00 0.00 32.46 32.79 1xq9 n ARG 125 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1xq9 n SER 126 N -0.77 0.06 -0.05 6.15 3.41 -1.08 -5.00 113.62 116.35 1xq9 n SER 126 Ca 0.00 -1.09 -0.06 0.00 -0.26 0.00 0.00 58.87 57.47 1xq9 n SER 126 Cb 0.02 -0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 63.79 1xq9 n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xq9 n TYR 127 N -2.05 0.00 -1.84 7.33 9.36 -1.26 -4.73 117.16 123.96 1xq9 n TYR 127 Ca 0.02 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.26 1xq9 n TYR 127 Cb 0.08 -0.42 0.02 0.00 -0.63 0.00 0.00 39.34 38.39 1xq9 n TYR 127 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1xq9 n ASP 128 N -2.56 0.41 -4.03 2.98 3.85 -1.26 -1.98 116.55 113.96 1xq9 n ASP 128 Ca -0.17 -2.19 -0.33 0.00 -0.71 0.00 0.00 54.79 51.40 1xq9 n ASP 128 Cb 0.74 -0.24 -0.13 0.00 -1.35 0.00 0.00 41.12 40.14 1xq9 n ASP 128 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 1xq9 s ILE 129 N -0.49 2.75 0.57 2.12 1.01 -1.26 -5.00 121.20 120.90 1xq9 s ILE 129 Ca 0.06 -2.61 -0.19 0.00 0.00 0.00 0.00 60.65 57.91 1xq9 s ILE 129 Cb 0.05 -2.93 -0.05 0.00 0.01 0.00 0.00 42.46 39.54 1xq9 s ILE 129 CO 0.00 -0.71 1.15 -2.16 0.00 0.00 0.00 174.94 173.23 1xq9 s PRO 130 N 0.53 3.18 0.86 2.79 0.04 -1.26 -4.41 135.00 136.71 1xq9 s PRO 130 Ca 0.13 1.67 -0.12 0.00 0.04 0.00 0.00 61.00 62.72 1xq9 s PRO 130 Cb -0.22 -1.97 0.10 0.00 0.04 0.00 0.00 34.50 32.45 1xq9 s PRO 130 CO -0.05 -1.01 1.10 -2.14 0.04 0.00 0.00 177.00 174.95 1xq9 s PRO 131 N -3.36 1.60 0.13 0.56 0.02 -1.26 -4.92 135.00 127.76 1xq9 s PRO 131 Ca 0.74 0.61 -0.35 0.00 0.02 0.00 0.00 61.00 62.02 1xq9 s PRO 131 Cb -0.26 -1.87 -0.16 0.00 0.02 0.00 0.00 34.50 32.24 1xq9 s PRO 131 CO 0.30 -1.95 1.39 -2.30 -0.33 0.00 0.00 177.00 174.11 1xq9 n PRO 132 N -3.65 1.50 -1.89 5.54 -0.01 -1.26 -4.80 135.00 130.42 1xq9 n PRO 132 Ca 0.07 0.54 -0.41 0.00 -0.01 0.00 0.00 63.50 63.69 1xq9 n PRO 132 Cb 0.57 -2.20 -0.01 0.00 -0.01 0.00 0.00 33.50 31.84 1xq9 n PRO 132 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 175.50 175.64 1xq9 s LYS 133 N 0.43 4.19 0.68 -0.52 1.02 -1.26 -1.11 119.74 123.16 1xq9 s LYS 133 Ca 0.80 2.46 -0.15 0.00 0.02 0.00 0.00 55.97 59.10 1xq9 s LYS 133 Cb -0.84 -3.03 0.01 0.00 -0.52 0.00 0.00 37.83 33.46 1xq9 s LYS 133 CO 0.45 -0.47 1.13 -0.51 -0.92 0.00 0.00 175.35 175.02 1xq9 s LEU 134 N -1.32 3.35 0.32 3.17 1.43 -0.17 -4.62 118.68 120.84 1xq9 s LEU 134 Ca 0.56 2.06 -0.21 0.00 -1.03 0.00 0.00 54.13 55.51 1xq9 s LEU 134 Cb -0.45 -4.56 -0.10 0.00 0.03 0.00 0.00 46.19 41.12 1xq9 s LEU 134 CO 0.54 -1.80 0.85 -1.81 0.23 0.00 0.00 176.35 174.36 1xq9 s ASP 135 N -2.51 7.09 0.52 2.29 1.11 -1.26 -4.84 116.67 119.07 1xq9 s ASP 135 Ca 0.68 1.60 0.28 0.00 0.18 0.00 0.00 52.55 55.29 1xq9 s ASP 135 Cb -0.22 -2.49 1.42 0.00 1.07 0.00 0.00 42.92 42.69 1xq9 s ASP 135 CO 0.43 -0.13 1.92 0.11 1.18 0.00 0.00 175.17 178.69 1xq9 h LYS 136 N 2.82 0.04 0.00 8.23 1.57 -2.00 -2.33 116.57 124.90 1xq9 h LYS 136 Ca -0.48 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1xq9 h LYS 136 Cb 1.19 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1xq9 h LYS 136 CO 0.64 0.03 -0.75 0.39 -0.57 0.00 0.00 179.45 179.19 1xq9 n GLU 137 N -4.33 0.12 -1.88 3.15 4.71 -1.26 -4.74 120.64 116.42 1xq9 n GLU 137 Ca 0.16 0.01 -0.38 0.00 -0.01 0.00 0.00 57.16 56.94 1xq9 n GLU 137 Cb 0.82 -1.55 0.03 0.00 -1.01 0.00 0.00 31.44 29.73 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 -3.43 5.38 0.30 1.62 2.15 -0.88 -4.94 116.67 116.87 1xq9 s ASP 138 Ca 0.08 2.65 0.26 0.00 0.43 0.00 0.00 52.55 55.97 1xq9 s ASP 138 Cb 0.16 -2.63 0.85 0.00 -0.30 0.00 0.00 42.92 41.01 1xq9 s ASP 138 CO 0.76 -1.49 1.76 -0.55 -0.17 0.00 0.00 175.17 175.48 1xq9 h ASN 139 N 1.46 0.00 1.23 -0.34 -0.00 -1.88 -2.79 115.58 113.26 1xq9 h ASN 139 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.79 1xq9 h ASN 139 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.61 1xq9 h ASN 139 CO 0.57 0.00 0.00 0.54 -0.00 0.00 0.00 177.43 178.54 1xq9 n ARG 140 N -2.49 0.24 -1.66 4.14 1.74 -1.26 -4.85 116.66 112.52 1xq9 n ARG 140 Ca 0.04 0.29 -0.55 0.00 -0.77 0.00 0.00 57.85 56.86 1xq9 n ARG 140 Cb 0.37 -1.83 -0.07 0.00 -1.02 0.00 0.00 32.46 29.91 1xq9 n ARG 140 CO 0.00 0.00 0.00 1.87 -1.52 0.00 0.00 177.63 177.98 1xq9 n TRP 141 N -2.27 1.84 -0.25 -1.55 -0.00 -1.06 -4.82 117.44 109.33 1xq9 n TRP 141 Ca 0.04 0.56 0.10 0.00 -0.00 0.00 0.00 57.50 58.21 1xq9 n TRP 141 Cb 0.36 -2.41 0.37 0.00 -0.00 0.00 0.00 31.31 29.63 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 6.13 0.70 0.00 5.87 0.11 -1.89 -2.82 132.00 140.10 1xq9 h PRO 142 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1xq9 h PRO 142 Cb 1.32 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1xq9 h PRO 142 CO 0.88 0.46 0.01 0.41 -0.21 0.00 0.00 178.00 179.55 1xq9 n GLY 143 N -1.44 -0.22 0.01 -0.55 0.00 -1.26 -0.91 105.19 100.82 1xq9 n GLY 143 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.28 1xq9 n GLY 143 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xq9 n HIS 144 N -1.21 0.04 -3.35 1.61 8.25 -1.06 -4.92 115.22 114.57 1xq9 n HIS 144 Ca 0.00 0.01 -0.41 0.00 -0.26 0.00 0.00 57.72 57.07 1xq9 n HIS 144 Cb 0.01 -0.21 -0.09 0.00 1.12 0.00 0.00 29.99 30.81 1xq9 n HIS 144 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1xq9 s ASN 145 N -3.58 6.23 0.60 0.41 3.84 -0.09 -4.95 114.94 117.41 1xq9 s ASN 145 Ca 0.03 -0.08 0.29 0.00 0.21 0.00 0.00 52.86 53.30 1xq9 s ASN 145 Cb 0.15 -2.22 1.30 0.00 -0.55 0.00 0.00 41.25 39.94 1xq9 s ASN 145 CO 0.87 -0.36 1.69 -0.37 -2.79 0.00 0.00 177.10 176.15 1xq9 h VAL 146 N 5.54 0.22 -1.11 -5.21 -1.51 -1.91 0.52 116.25 112.78 1xq9 h VAL 146 Ca -0.29 0.00 0.31 0.00 -1.23 0.00 0.00 66.70 65.48 1xq9 h VAL 146 Cb 1.14 0.40 -0.07 0.00 -2.13 0.00 0.00 31.29 30.63 1xq9 h VAL 146 CO 0.71 0.00 0.76 0.58 -1.23 0.00 0.00 177.57 178.39 1xq9 h VAL 147 N 0.00 0.45 -0.36 7.19 2.07 -1.92 0.24 116.25 123.92 1xq9 h VAL 147 Ca 0.32 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.69 1xq9 h VAL 147 Cb 1.81 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 1xq9 h VAL 147 CO -0.00 0.03 0.03 -1.22 0.02 0.00 0.00 177.57 176.43 1xq9 n TYR 148 N -4.42 1.22 0.02 1.57 4.01 0.18 -4.64 117.16 115.11 1xq9 n TYR 148 Ca 0.26 -1.12 0.14 0.00 -0.16 0.00 0.00 57.90 57.01 1xq9 n TYR 148 Cb 1.07 -0.42 0.59 0.00 -0.31 0.00 0.00 39.34 40.27 1xq9 n TYR 148 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1xq9 h LYS 149 N 1.71 0.18 -0.56 -0.72 3.64 -0.57 -2.81 116.57 117.43 1xq9 h LYS 149 Ca 0.10 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.28 1xq9 h LYS 149 Cb 1.65 -0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 33.31 1xq9 h LYS 149 CO 0.35 0.12 0.17 0.09 -2.27 0.00 0.00 179.45 177.90 1xq9 n ASN 150 N -4.45 3.93 -3.87 4.20 3.02 -1.26 -4.89 115.26 111.93 1xq9 n ASN 150 Ca 0.07 -3.36 -0.19 0.00 -0.03 0.00 0.00 54.58 51.07 1xq9 n ASN 150 Cb 0.39 -0.68 -0.16 0.00 -0.61 0.00 0.00 39.78 38.71 1xq9 n ASN 150 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xq9 s VAL 151 N -3.06 0.44 -0.00 2.41 1.01 -1.06 -5.09 120.40 115.05 1xq9 s VAL 151 Ca 0.50 -0.07 -0.37 0.00 0.00 0.00 0.00 61.98 62.04 1xq9 s VAL 151 Cb 0.41 -0.49 -0.16 0.00 0.00 0.00 0.00 36.38 36.14 1xq9 s VAL 151 CO 0.09 0.21 1.48 -2.65 0.00 0.00 0.00 175.10 174.22 1xq9 n PRO 152 N 4.10 1.26 0.26 2.72 -0.02 -1.26 -4.80 135.00 137.26 1xq9 n PRO 152 Ca -0.25 0.46 0.10 0.00 -2.02 0.00 0.00 63.50 61.79 1xq9 n PRO 152 Cb 0.51 -2.13 0.71 0.00 -0.02 0.00 0.00 33.50 32.56 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 5.47 0.00 0.00 -0.52 1.57 -1.95 -1.57 116.57 119.57 1xq9 h LYS 153 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1xq9 h LYS 153 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1xq9 h LYS 153 CO 0.84 0.07 0.00 -0.40 -0.57 0.00 0.00 179.45 179.39 1xq9 n ASP 154 N -4.11 0.00 0.02 0.86 5.68 -1.26 -2.58 116.55 115.16 1xq9 n ASP 154 Ca -0.03 -0.57 0.12 0.00 -0.50 0.00 0.00 54.79 53.81 1xq9 n ASP 154 Cb 0.16 -0.02 0.26 0.00 -1.14 0.00 0.00 41.12 40.38 1xq9 n ASP 154 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xq9 n ALA 155 N -1.02 3.16 -2.70 2.12 0.00 -0.59 -4.93 120.51 116.55 1xq9 n ALA 155 Ca 0.14 -0.28 -0.37 0.00 0.00 0.00 0.00 53.44 52.94 1xq9 n ALA 155 Cb 0.07 -1.18 -0.07 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 -3.47 4.30 0.45 0.00 1.43 -1.07 -5.05 118.68 115.26 1xq9 s LEU 156 Ca 0.10 0.63 -0.23 0.00 -1.03 0.00 0.00 54.13 53.59 1xq9 s LEU 156 Cb 0.16 -2.44 -0.08 0.00 0.03 0.00 0.00 46.19 43.87 1xq9 s LEU 156 CO 0.69 0.15 1.15 -2.16 0.23 0.00 0.00 176.35 176.40 1xq9 s PRO 157 N 0.12 3.84 0.27 1.29 0.04 -1.26 -4.92 135.00 134.38 1xq9 s PRO 157 Ca 0.19 1.75 0.20 0.00 0.04 0.00 0.00 61.00 63.18 1xq9 s PRO 157 Cb -0.14 -2.45 0.10 0.00 0.04 0.00 0.00 34.50 32.05 1xq9 s PRO 157 CO 0.06 -0.48 1.27 0.74 0.04 0.00 0.00 177.00 178.64 1xq9 h PHE 158 N 2.16 0.00 -1.70 0.56 -1.00 -1.97 -3.42 116.94 111.57 1xq9 h PHE 158 Ca -0.49 0.00 0.12 0.00 2.81 0.00 0.00 57.97 60.41 1xq9 h PHE 158 Cb 1.24 0.00 -0.21 0.00 3.61 0.00 0.00 35.95 40.59 1xq9 h PHE 158 CO 0.54 0.19 0.59 -0.08 -1.61 0.00 0.00 178.31 177.95 1xq9 s THR 159 N -3.16 0.00 0.03 -1.55 -1.32 -1.26 -1.00 115.64 107.38 1xq9 s THR 159 Ca 0.02 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.52 1xq9 s THR 159 Cb 0.08 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 70.05 1xq9 s THR 159 CO 0.75 0.00 -0.07 -1.61 -2.21 0.00 0.00 174.62 171.48 1xq9 s GLU 160 N -1.76 0.49 0.27 7.08 2.02 -0.77 -4.93 118.70 121.11 1xq9 s GLU 160 Ca 0.02 -0.60 0.09 0.00 0.02 0.00 0.00 54.97 54.51 1xq9 s GLU 160 Cb -0.01 -0.31 -0.04 0.00 0.10 0.00 0.00 34.13 33.87 1xq9 s GLU 160 CO -0.02 0.06 0.03 0.00 0.02 0.00 0.00 175.26 175.35 1xq9 h LEU 162 N 1.81 0.38 -0.48 0.00 6.46 -1.83 0.14 115.31 121.79 1xq9 h LEU 162 Ca -0.44 0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 57.32 1xq9 h LEU 162 Cb 1.25 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 41.14 1xq9 h LEU 162 CO 0.61 0.13 0.12 0.50 -0.62 0.00 0.00 178.44 179.18 1xq9 h LYS 163 N 0.36 0.77 -0.83 1.25 3.64 -1.78 -0.28 116.57 119.70 1xq9 h LYS 163 Ca 0.51 -0.18 0.08 0.00 -1.27 0.00 0.00 60.65 59.78 1xq9 h LYS 163 Cb 1.35 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 33.00 1xq9 h LYS 163 CO -0.20 0.74 0.49 -0.44 -2.27 0.00 0.00 179.45 177.78 1xq9 h ASP 164 N 0.65 0.74 -0.19 4.20 3.32 -1.04 -0.58 116.42 123.52 1xq9 h ASP 164 Ca 0.15 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1xq9 h ASP 164 Cb 0.32 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1xq9 h ASP 164 CO 0.00 0.45 0.08 0.74 -1.72 0.00 0.00 179.24 178.80 1xq9 h THR 165 N 0.87 1.15 -0.08 0.35 2.02 -0.69 -1.91 112.91 114.62 1xq9 h THR 165 Ca 0.38 -0.44 0.03 0.00 0.77 0.00 0.00 66.41 67.15 1xq9 h THR 165 Cb 0.26 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 1xq9 h THR 165 CO -0.21 0.14 -0.12 0.58 0.37 0.00 0.00 175.52 176.29 1xq9 h VAL 166 N 0.16 0.68 -0.77 3.16 2.07 -0.83 0.23 116.25 120.96 1xq9 h VAL 166 Ca 0.06 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.65 1xq9 h VAL 166 Cb 0.15 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1xq9 h VAL 166 CO -0.01 0.00 0.51 -0.33 0.02 0.00 0.00 177.57 177.76 1xq9 h GLU 167 N -0.16 0.79 0.00 1.57 5.08 -0.96 -0.97 114.58 119.93 1xq9 h GLU 167 Ca 0.07 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1xq9 h GLU 167 Cb 0.26 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1xq9 h GLU 167 CO -0.18 0.52 -0.68 0.07 -1.00 0.00 0.00 179.01 177.74 1xq9 h ARG 168 N 0.81 0.00 -0.04 2.33 0.11 -1.08 -3.34 114.38 113.17 1xq9 h ARG 168 Ca 0.34 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.33 1xq9 h ARG 168 Cb 0.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 1xq9 h ARG 168 CO -0.12 0.00 -0.32 0.28 0.10 0.00 0.00 179.97 179.92 1xq9 h VAL 169 N 0.00 1.46 -0.34 0.08 2.07 -0.25 -3.39 116.25 115.88 1xq9 h VAL 169 Ca 0.00 -1.80 -0.01 0.00 0.82 0.00 0.00 66.70 65.72 1xq9 h VAL 169 Cb 0.92 2.46 -0.02 0.00 -1.52 0.00 0.00 31.29 33.14 1xq9 h VAL 169 CO 0.00 0.51 0.18 -0.07 0.02 0.00 0.00 177.57 178.21 1xq9 h LEU 170 N -0.25 0.40 -1.23 2.57 -0.00 -1.32 -1.50 115.31 113.98 1xq9 h LEU 170 Ca -0.03 -0.02 0.05 0.00 -0.00 0.00 0.00 57.88 57.88 1xq9 h LEU 170 Cb 1.00 -0.10 -0.05 0.00 -0.00 0.00 0.00 40.66 41.50 1xq9 h LEU 170 CO 0.06 0.33 0.54 -0.65 -0.00 0.00 0.00 178.44 178.73 1xq9 h PRO 171 N 0.46 0.95 0.00 1.13 0.11 -1.76 -0.84 132.00 132.06 1xq9 h PRO 171 Ca 0.12 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.09 1xq9 h PRO 171 Cb 0.02 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.90 1xq9 h PRO 171 CO -0.02 0.63 -0.40 0.35 -0.21 0.00 0.00 178.00 178.35 1xq9 h PHE 172 N 0.98 0.00 -0.00 0.65 3.57 -1.48 0.99 116.94 121.64 1xq9 h PHE 172 Ca 0.34 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.81 1xq9 h PHE 172 Cb 0.11 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.85 1xq9 h PHE 172 CO -0.00 0.40 -0.12 2.35 -2.23 0.00 0.00 178.31 178.71 1xq9 h TRP 173 N 0.00 0.13 -0.24 0.41 2.91 -1.25 -1.26 115.95 116.65 1xq9 h TRP 173 Ca -0.00 -0.07 -0.07 0.00 1.13 0.00 0.00 58.89 59.88 1xq9 h TRP 173 Cb 0.86 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 29.48 1xq9 h TRP 173 CO 0.00 0.84 -0.15 0.74 -1.03 0.00 0.00 178.44 178.84 1xq9 h PHE 174 N -0.61 0.44 0.17 2.65 0.04 -1.05 0.73 116.94 119.30 1xq9 h PHE 174 Ca -0.01 -0.07 -0.33 0.00 2.80 0.00 0.00 57.97 60.36 1xq9 h PHE 174 Cb 0.87 -0.12 0.01 0.00 2.20 0.00 0.00 35.95 38.91 1xq9 h PHE 174 CO 0.18 0.54 -1.64 -0.44 -0.60 0.00 0.00 178.31 176.36 1xq9 h ASP 175 N 0.38 0.55 0.00 2.17 3.32 -0.90 -3.38 116.42 118.56 1xq9 h ASP 175 Ca 0.07 -0.92 -0.01 0.00 0.02 0.00 0.00 57.03 56.19 1xq9 h ASP 175 Cb 0.49 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1xq9 h ASP 175 CO 0.03 1.74 -0.56 1.41 -1.72 0.00 0.00 179.24 180.14 1xq9 n HIS 176 N -3.70 0.00 -0.03 4.55 8.25 -0.55 -4.55 115.22 119.19 1xq9 n HIS 176 Ca -0.25 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.12 1xq9 n HIS 176 Cb 1.02 -0.03 -0.04 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 -0.04 0.98 0.31 1.59 2.04 -1.10 -2.79 117.51 118.50 1xq9 h ILE 177 Ca -0.01 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1xq9 h ILE 177 Cb 0.54 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1xq9 h ILE 177 CO -0.01 0.03 -0.15 0.00 0.00 0.00 0.00 178.15 178.02 1xq9 h ALA 178 N 1.09 -0.42 -0.96 1.87 0.00 0.22 -2.32 119.26 118.74 1xq9 h ALA 178 Ca 0.07 -0.19 0.29 0.00 0.00 0.00 0.00 54.91 55.08 1xq9 h ALA 178 Cb 0.03 0.16 -0.17 0.00 0.00 0.00 0.00 17.79 17.81 1xq9 h ALA 178 CO -0.06 -0.51 0.18 -1.35 0.00 0.00 0.00 179.25 177.51 1xq9 h PRO 179 N -0.87 0.05 0.09 0.00 0.11 -1.74 -1.17 132.00 128.48 1xq9 h PRO 179 Ca -0.04 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.08 1xq9 h PRO 179 Cb 0.52 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.58 1xq9 h PRO 179 CO 0.07 0.04 -0.26 -0.44 -0.21 0.00 0.00 178.00 177.19 1xq9 h ASP 180 N 0.05 -0.76 -0.51 -2.05 5.19 -1.14 0.56 116.42 117.77 1xq9 h ASP 180 Ca 0.64 0.09 0.09 0.00 -0.62 0.00 0.00 57.03 57.23 1xq9 h ASP 180 Cb 1.40 0.29 -0.07 0.00 0.18 0.00 0.00 39.33 41.13 1xq9 h ASP 180 CO -0.83 -0.35 0.08 0.40 -3.12 0.00 0.00 179.24 175.43 1xq9 h ILE 181 N -0.46 0.69 0.00 0.35 2.04 -1.04 0.66 117.51 119.75 1xq9 h ILE 181 Ca 0.04 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1xq9 h ILE 181 Cb 0.50 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1xq9 h ILE 181 CO -0.17 0.04 0.00 -0.07 0.00 0.00 0.00 178.15 177.95 1xq9 h LEU 182 N 0.21 0.00 -2.26 1.44 3.38 -0.15 -2.08 115.31 115.87 1xq9 h LEU 182 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1xq9 h LEU 182 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1xq9 h LEU 182 CO -0.36 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.17 1xq9 n ALA 183 N -1.98 2.41 -1.13 1.53 0.00 0.21 -4.93 120.51 116.61 1xq9 n ALA 183 Ca -0.02 -1.08 -0.05 0.00 0.00 0.00 0.00 53.44 52.30 1xq9 n ALA 183 Cb 0.08 -0.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 1xq9 n ALA 183 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xq9 n ASN 184 N 1.29 -3.76 -4.89 0.00 4.13 -0.78 -5.04 115.26 106.21 1xq9 n ASN 184 Ca 0.20 0.11 -0.35 0.00 1.68 0.00 0.00 54.58 56.23 1xq9 n ASN 184 Cb 0.52 -1.66 -0.05 0.00 -1.54 0.00 0.00 39.78 37.05 1xq9 n ASN 184 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1xq9 s LYS 185 N -2.02 3.41 -0.26 3.52 -2.85 -1.11 -5.05 119.74 115.38 1xq9 s LYS 185 Ca 0.00 -0.27 -0.22 0.00 -1.00 0.00 0.00 55.97 54.48 1xq9 s LYS 185 Cb 0.00 -3.11 -0.01 0.00 -2.06 0.00 0.00 37.83 32.65 1xq9 s LYS 185 CO 0.00 0.71 0.72 0.15 0.10 0.00 0.00 175.35 177.03 1xq9 s LYS 186 N -1.60 4.09 0.00 1.78 -0.14 -1.26 -4.10 119.74 118.50 1xq9 s LYS 186 Ca 0.23 0.65 0.05 0.00 -1.36 0.00 0.00 55.97 55.54 1xq9 s LYS 186 Cb -0.12 -3.67 -0.03 0.00 -1.68 0.00 0.00 37.83 32.33 1xq9 s LYS 186 CO 0.13 -0.51 -0.15 0.54 -0.76 0.00 0.00 175.35 174.60 1xq9 s VAL 187 N 2.70 2.99 -0.09 3.17 0.11 -1.26 -0.07 120.40 127.95 1xq9 s VAL 187 Ca 0.30 -0.97 0.01 0.00 -2.93 0.00 0.00 61.98 58.39 1xq9 s VAL 187 Cb -0.15 -2.23 -0.03 0.00 -1.53 0.00 0.00 36.38 32.44 1xq9 s VAL 187 CO 0.09 0.44 -0.10 -0.32 -3.33 0.00 0.00 175.10 171.88 1xq9 s MET 188 N -1.18 2.91 -0.41 1.54 1.75 -0.92 -2.08 119.30 120.92 1xq9 s MET 188 Ca 0.14 -0.61 -0.10 0.00 -1.25 0.00 0.00 55.69 53.87 1xq9 s MET 188 Cb -0.11 -2.58 0.07 0.00 2.84 0.00 0.00 34.83 35.06 1xq9 s MET 188 CO 0.04 0.51 0.26 0.08 -0.65 0.00 0.00 175.02 175.26 1xq9 s VAL 189 N -0.42 4.37 -0.74 10.11 1.01 0.21 -1.63 120.40 133.32 1xq9 s VAL 189 Ca 0.06 -1.27 -0.17 0.00 0.00 0.00 0.00 61.98 60.60 1xq9 s VAL 189 Cb -0.12 -3.62 0.16 0.00 0.00 0.00 0.00 36.38 32.80 1xq9 s VAL 189 CO 0.02 -0.46 0.77 0.00 0.00 0.00 0.00 175.10 175.44 1xq9 s ALA 190 N 1.47 3.70 0.00 5.51 0.00 -0.74 -0.72 121.76 130.97 1xq9 s ALA 190 Ca 0.03 -2.80 0.00 0.00 0.00 0.00 0.00 51.96 49.19 1xq9 s ALA 190 Cb -0.22 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.32 1xq9 s ALA 190 CO 0.03 -2.39 0.00 0.00 0.00 0.00 0.00 175.76 173.41 1xq9 n ALA 191 N 5.29 0.00 -2.46 0.00 0.00 -0.88 -3.98 120.51 118.48 1xq9 n ALA 191 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.23 1xq9 n ALA 191 Cb 0.45 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.79 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 3.36 2.34 0.24 0.00 3.76 -1.26 -3.19 115.29 120.55 1xq9 s HIS 192 Ca 0.00 -0.33 -0.05 0.00 -0.15 0.00 0.00 55.06 54.53 1xq9 s HIS 192 Cb 0.00 -1.10 0.41 0.00 1.11 0.00 0.00 32.58 33.00 1xq9 s HIS 192 CO 0.00 0.59 1.78 0.78 -0.85 0.00 0.00 174.74 177.04 1xq9 h GLY 193 N 2.76 1.20 1.06 -2.22 0.00 -1.95 0.43 103.07 104.35 1xq9 h GLY 193 Ca -0.44 -0.24 -0.12 0.00 0.00 0.00 0.00 47.33 46.52 1xq9 h GLY 193 CO 0.54 0.04 -0.21 3.43 0.00 0.00 0.00 176.54 180.34 1xq9 h ASN 194 N 0.64 0.94 -0.23 0.19 -0.26 -1.97 -0.41 115.58 114.48 1xq9 h ASN 194 Ca 0.39 -0.40 -0.20 0.00 -0.56 0.00 0.00 56.30 55.53 1xq9 h ASN 194 Cb 0.45 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.46 1xq9 h ASN 194 CO -0.30 1.13 -0.63 0.77 -1.06 0.00 0.00 177.43 177.35 1xq9 h SER 195 N 0.74 0.97 0.12 5.81 4.64 -1.62 -2.10 113.55 122.10 1xq9 h SER 195 Ca 0.10 -0.56 -0.04 0.00 -0.47 0.00 0.00 61.79 60.82 1xq9 h SER 195 Cb 0.78 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1xq9 h SER 195 CO 0.06 1.36 -0.16 -0.07 -0.87 0.00 0.00 176.83 177.15 1xq9 h LEU 196 N 0.63 0.09 -1.24 5.97 3.38 -0.17 -1.78 115.31 122.19 1xq9 h LEU 196 Ca -0.01 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1xq9 h LEU 196 Cb 1.25 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1xq9 h LEU 196 CO 0.14 0.27 -0.35 0.03 0.09 0.00 0.00 178.44 178.62 1xq9 h ARG 197 N 0.10 0.00 -0.64 1.13 3.08 -0.80 -0.87 114.38 116.37 1xq9 h ARG 197 Ca 0.02 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1xq9 h ARG 197 Cb 0.35 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 1xq9 h ARG 197 CO 0.02 0.35 0.12 0.78 -1.07 0.00 0.00 179.97 180.17 1xq9 h GLY 198 N 1.40 1.14 0.68 0.04 0.00 -0.64 -1.05 103.07 104.63 1xq9 h GLY 198 Ca -0.00 -0.75 -0.00 0.00 0.00 0.00 0.00 47.33 46.58 1xq9 h GLY 198 CO 0.05 0.69 -0.00 -2.00 0.00 0.00 0.00 176.54 175.28 1xq9 h LEU 199 N 0.97 0.03 -0.80 3.11 5.85 -1.13 -2.93 115.31 120.40 1xq9 h LEU 199 Ca 0.20 -0.33 -0.12 0.00 0.84 0.00 0.00 57.88 58.46 1xq9 h LEU 199 Cb 0.42 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1xq9 h LEU 199 CO 0.01 0.36 -0.49 -0.37 -0.34 0.00 0.00 178.44 177.60 1xq9 h VAL 200 N -0.30 1.34 -0.61 1.05 -1.51 -1.19 -1.42 116.25 113.61 1xq9 h VAL 200 Ca 0.00 -1.72 0.11 0.00 -1.23 0.00 0.00 66.70 63.87 1xq9 h VAL 200 Cb 0.34 1.81 -0.12 0.00 -2.13 0.00 0.00 31.29 31.19 1xq9 h VAL 200 CO 0.00 0.51 -0.29 0.50 -1.23 0.00 0.00 177.57 177.06 1xq9 h LYS 201 N 0.21 -0.12 -0.13 5.19 3.64 -1.12 0.12 116.57 124.36 1xq9 h LYS 201 Ca 0.01 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1xq9 h LYS 201 Cb 0.94 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 1xq9 h LYS 201 CO 0.08 -0.08 0.04 1.25 -2.27 0.00 0.00 179.45 178.47 1xq9 h HIS 202 N -0.12 0.21 0.03 1.91 2.76 -1.45 0.39 115.15 118.88 1xq9 h HIS 202 Ca 0.26 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.40 1xq9 h HIS 202 Cb 0.54 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.44 1xq9 h HIS 202 CO -0.61 0.33 -0.02 -0.07 -1.30 0.00 0.00 177.93 176.26 1xq9 h LEU 203 N 0.04 -0.04 -0.76 0.26 3.38 -0.55 -2.39 115.31 115.25 1xq9 h LEU 203 Ca 0.04 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1xq9 h LEU 203 Cb 0.22 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1xq9 h LEU 203 CO -0.00 0.05 0.00 0.47 0.09 0.00 0.00 178.44 179.05 1xq9 n ASP 204 N -5.07 1.17 -4.05 -0.43 10.43 0.34 -4.44 116.55 114.50 1xq9 n ASP 204 Ca -0.08 -1.47 -0.36 0.00 2.57 0.00 0.00 54.79 55.45 1xq9 n ASP 204 Cb 0.08 -0.03 -0.02 0.00 1.84 0.00 0.00 41.12 42.99 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 -0.06 -2.23 -4.76 -2.24 5.15 -0.29 -4.93 115.26 105.90 1xq9 n ASN 205 Ca 0.18 -1.19 -0.40 0.00 -0.60 0.00 0.00 54.58 52.57 1xq9 n ASN 205 Cb 0.28 -2.22 -0.05 0.00 -0.53 0.00 0.00 39.78 37.26 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 -7.18 4.55 1.09 1.20 1.43 0.12 -5.00 118.68 114.90 1xq9 s LEU 206 Ca 0.26 2.19 -0.13 0.00 -1.03 0.00 0.00 54.13 55.43 1xq9 s LEU 206 Cb -0.13 -3.66 0.21 0.00 0.03 0.00 0.00 46.19 42.65 1xq9 s LEU 206 CO 0.94 -0.10 0.89 -1.54 0.23 0.00 0.00 176.35 176.77 1xq9 n SER 207 N 1.18 -1.29 -0.14 2.29 3.41 -1.26 -4.85 113.62 112.95 1xq9 n SER 207 Ca -0.01 0.03 -0.05 0.00 -0.26 0.00 0.00 58.87 58.58 1xq9 n SER 207 Cb 0.45 -1.28 0.01 0.00 -0.26 0.00 0.00 64.21 63.14 1xq9 n SER 207 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1xq9 h GLU 208 N -2.34 -0.14 0.00 4.33 5.08 -1.99 -3.00 114.58 116.52 1xq9 h GLU 208 Ca -0.55 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1xq9 h GLU 208 Cb 1.32 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1xq9 h GLU 208 CO 0.45 -0.09 0.00 0.00 -1.00 0.00 0.00 179.01 178.36 1xq9 n ALA 209 N -2.97 -0.04 -0.33 3.43 0.00 -1.26 -2.65 120.51 116.69 1xq9 n ALA 209 Ca 0.03 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.64 1xq9 n ALA 209 Cb 0.32 0.26 0.41 0.00 0.00 0.00 0.00 19.45 20.43 1xq9 n ALA 209 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1xq9 h ASP 210 N 0.00 0.62 0.41 0.00 3.32 -1.93 -0.94 116.42 117.90 1xq9 h ASP 210 Ca 0.00 0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 1xq9 h ASP 210 Cb 0.00 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1xq9 h ASP 210 CO 0.00 0.18 -0.28 1.62 -1.72 0.00 0.00 179.24 179.03 1xq9 h VAL 211 N 0.58 1.02 0.00 -1.35 3.04 -1.41 -0.32 116.25 117.81 1xq9 h VAL 211 Ca 0.58 -1.04 -0.04 0.00 -1.01 0.00 0.00 66.70 65.19 1xq9 h VAL 211 Cb 1.16 1.59 -0.01 0.00 -2.01 0.00 0.00 31.29 32.03 1xq9 h VAL 211 CO -0.35 0.28 -0.18 -0.07 -1.01 0.00 0.00 177.57 176.23 1xq9 h LEU 212 N 0.00 0.00 -0.25 3.16 3.38 -0.94 -2.96 115.31 117.71 1xq9 h LEU 212 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xq9 h LEU 212 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1xq9 h LEU 212 CO 0.04 0.18 -0.29 -1.84 0.09 0.00 0.00 178.44 176.62 1xq9 n GLU 213 N -3.21 0.47 -2.82 1.13 0.28 -0.21 -4.85 120.64 111.44 1xq9 n GLU 213 Ca 0.02 -0.25 -0.42 0.00 -0.16 0.00 0.00 57.16 56.35 1xq9 n GLU 213 Cb 0.51 -1.49 -0.04 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 -2.70 4.03 -0.35 -1.84 2.96 -0.73 -5.03 118.68 115.02 1xq9 s LEU 214 Ca 0.20 0.80 -0.09 0.00 -0.22 0.00 0.00 54.13 54.82 1xq9 s LEU 214 Cb 0.19 -3.27 0.03 0.00 0.50 0.00 0.00 46.19 43.64 1xq9 s LEU 214 CO 0.57 -0.74 0.16 0.20 -1.32 0.00 0.00 176.35 175.22 1xq9 s ASN 215 N 1.65 5.52 -0.32 3.68 0.02 -1.26 -5.01 114.94 119.22 1xq9 s ASN 215 Ca 0.38 -0.99 -0.21 0.00 -1.02 0.00 0.00 52.86 51.02 1xq9 s ASN 215 Cb -0.13 -1.96 -0.01 0.00 0.02 0.00 0.00 41.25 39.18 1xq9 s ASN 215 CO 0.14 -0.33 0.66 -0.63 0.02 0.00 0.00 177.10 176.95 1xq9 s ILE 216 N 1.50 4.90 0.69 0.60 1.01 -1.26 -4.99 121.20 123.66 1xq9 s ILE 216 Ca 0.01 0.86 -0.15 0.00 0.00 0.00 0.00 60.65 61.37 1xq9 s ILE 216 Cb -0.19 -4.04 0.02 0.00 0.01 0.00 0.00 42.46 38.26 1xq9 s ILE 216 CO 0.05 -0.20 1.14 -2.16 0.00 0.00 0.00 174.94 173.77 1xq9 s PRO 217 N 2.69 2.53 0.31 2.79 0.04 -1.26 -4.96 135.00 137.14 1xq9 s PRO 217 Ca 0.26 1.50 -0.24 0.00 0.04 0.00 0.00 61.00 62.56 1xq9 s PRO 217 Cb -0.15 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 1xq9 s PRO 217 CO 0.13 -1.48 0.89 0.95 0.04 0.00 0.00 177.00 177.52 1xq9 s THR 218 N -2.26 4.32 -0.49 1.26 -4.23 -1.26 -4.04 115.64 108.93 1xq9 s THR 218 Ca 0.69 1.65 0.00 0.00 -1.18 0.00 0.00 61.69 62.85 1xq9 s THR 218 Cb -0.23 -3.93 0.00 0.00 1.34 0.00 0.00 72.50 69.68 1xq9 s THR 218 CO 0.44 0.11 0.00 0.61 -0.54 0.00 0.00 174.62 175.23 1xq9 n GLY 219 N 0.47 0.59 3.28 3.99 0.00 -1.19 -4.83 105.19 107.49 1xq9 n GLY 219 Ca 0.01 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.71 3.27 0.30 1.61 1.01 -1.26 -4.49 120.40 119.13 1xq9 s VAL 220 Ca 0.00 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 1xq9 s VAL 220 Cb 0.00 -2.56 -0.11 0.00 0.00 0.00 0.00 36.38 33.71 1xq9 s VAL 220 CO 0.00 0.32 1.56 -2.84 0.00 0.00 0.00 175.10 174.15 1xq9 s PRO 221 N 1.43 4.14 -0.36 2.72 0.02 -1.26 -4.46 135.00 137.24 1xq9 s PRO 221 Ca 0.04 2.54 -0.03 0.00 0.02 0.00 0.00 61.00 63.57 1xq9 s PRO 221 Cb -0.15 -3.03 0.08 0.00 0.02 0.00 0.00 34.50 31.41 1xq9 s PRO 221 CO -0.03 -0.60 0.11 -1.17 -0.33 0.00 0.00 177.00 174.98 1xq9 s LEU 222 N -0.64 4.58 -0.22 -5.54 2.96 0.16 -2.28 118.68 117.69 1xq9 s LEU 222 Ca 0.62 -1.60 -0.18 0.00 -0.22 0.00 0.00 54.13 52.75 1xq9 s LEU 222 Cb -0.47 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.40 1xq9 s LEU 222 CO 0.49 -0.40 0.52 -0.69 -1.32 0.00 0.00 176.35 174.94 1xq9 s VAL 223 N 1.23 5.09 -0.14 1.68 1.01 0.02 -0.68 120.40 128.61 1xq9 s VAL 223 Ca 0.01 0.92 -0.04 0.00 0.00 0.00 0.00 61.98 62.88 1xq9 s VAL 223 Cb -0.21 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 1xq9 s VAL 223 CO -0.02 0.14 -0.00 -0.31 0.00 0.00 0.00 175.10 174.91 1xq9 s TYR 224 N 1.91 3.12 -0.29 5.22 1.51 0.50 -0.77 117.35 128.55 1xq9 s TYR 224 Ca 0.23 -0.05 -0.08 0.00 -1.01 0.00 0.00 57.07 56.15 1xq9 s TYR 224 Cb -0.15 -1.94 -0.01 0.00 -0.11 0.00 0.00 41.96 39.75 1xq9 s TYR 224 CO 0.09 0.17 0.11 -1.21 -1.11 0.00 0.00 175.55 173.60 1xq9 s GLU 225 N -0.02 3.42 0.07 -0.62 0.41 -0.68 -1.13 118.70 120.15 1xq9 s GLU 225 Ca 0.03 -0.65 0.09 0.00 -0.41 0.00 0.00 54.97 54.03 1xq9 s GLU 225 Cb -0.13 -3.45 -0.03 0.00 -1.78 0.00 0.00 34.13 28.74 1xq9 s GLU 225 CO 0.02 -0.33 -0.23 -0.51 -0.49 0.00 0.00 175.26 173.72 1xq9 s LEU 226 N 1.60 2.40 0.00 1.80 1.43 0.81 0.07 118.68 126.79 1xq9 s LEU 226 Ca 0.05 -0.56 -0.09 0.00 -1.03 0.00 0.00 54.13 52.50 1xq9 s LEU 226 Cb -0.16 -1.38 0.15 0.00 0.03 0.00 0.00 46.19 44.83 1xq9 s LEU 226 CO 0.05 0.23 0.94 -0.90 0.23 0.00 0.00 176.35 176.90 1xq9 n ASP 227 N 1.42 0.37 0.23 2.29 5.68 -0.65 0.64 116.55 126.53 1xq9 n ASP 227 Ca -0.17 -1.52 0.18 0.00 -0.50 0.00 0.00 54.79 52.78 1xq9 n ASP 227 Cb 0.52 -0.69 0.86 0.00 -1.14 0.00 0.00 41.12 40.67 1xq9 n ASP 227 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1xq9 h GLU 228 N 0.00 0.00 -0.74 0.11 4.57 -1.90 0.24 114.58 116.86 1xq9 h GLU 228 Ca -0.30 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.67 1xq9 h GLU 228 Cb 0.91 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 29.38 1xq9 h GLU 228 CO 0.24 0.00 0.26 0.09 -1.18 0.00 0.00 179.01 178.42 1xq9 n ASN 229 N -3.51 4.93 -2.05 1.04 3.02 -1.26 -4.96 115.26 112.47 1xq9 n ASN 229 Ca 0.01 -3.21 -0.07 0.00 -0.03 0.00 0.00 54.58 51.28 1xq9 n ASN 229 Cb 0.36 -0.75 -0.01 0.00 -0.61 0.00 0.00 39.78 38.77 1xq9 n ASN 229 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1xq9 n LEU 230 N -0.10 -0.60 -4.78 3.41 4.77 0.84 -4.97 117.00 115.57 1xq9 n LEU 230 Ca 0.41 0.28 -0.38 0.00 -0.03 0.00 0.00 56.01 56.29 1xq9 n LEU 230 Cb 1.39 -1.53 -0.06 0.00 -2.33 0.00 0.00 43.42 40.89 1xq9 n LEU 230 CO 0.44 -0.17 0.11 -1.59 -1.33 0.00 0.00 177.39 174.85 1xq9 s LYS 231 N -4.22 4.12 0.71 3.23 -2.85 -1.26 -4.79 119.74 114.67 1xq9 s LYS 231 Ca 0.00 0.38 -0.16 0.00 -1.00 0.00 0.00 55.97 55.19 1xq9 s LYS 231 Cb 0.00 -3.32 0.01 0.00 -2.06 0.00 0.00 37.83 32.45 1xq9 s LYS 231 CO 0.00 0.44 1.03 -2.30 0.10 0.00 0.00 175.35 174.63 1xq9 n PRO 232 N 2.71 0.61 -0.09 1.78 -0.02 -1.26 -1.64 135.00 137.08 1xq9 n PRO 232 Ca -0.11 0.26 -0.15 0.00 -2.02 0.00 0.00 63.50 61.48 1xq9 n PRO 232 Cb 0.52 -2.28 -0.08 0.00 -0.02 0.00 0.00 33.50 31.64 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 -2.42 1.01 -3.78 4.25 5.41 0.11 -4.78 119.36 119.17 1xq9 n ILE 233 Ca 0.14 -0.34 -0.06 0.00 1.00 0.00 0.00 62.75 63.48 1xq9 n ILE 233 Cb 0.49 -1.33 -0.02 0.00 -0.71 0.00 0.00 39.64 38.07 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 -2.35 1.54 -0.16 0.38 -2.85 -1.24 -5.04 119.74 110.02 1xq9 s LYS 234 Ca -0.24 -0.83 -0.11 0.00 -1.00 0.00 0.00 55.97 53.78 1xq9 s LYS 234 Cb 0.07 0.54 0.05 0.00 -2.06 0.00 0.00 37.83 36.44 1xq9 s LYS 234 CO 0.38 -0.70 0.41 -3.38 0.10 0.00 0.00 175.35 172.16 1xq9 s HIS 235 N -3.69 -0.54 -0.00 1.78 -3.43 -1.26 -1.69 115.29 106.46 1xq9 s HIS 235 Ca 0.10 1.21 -0.08 0.00 -0.80 0.00 0.00 55.06 55.49 1xq9 s HIS 235 Cb -0.04 0.22 0.00 0.00 -1.43 0.00 0.00 32.58 31.33 1xq9 s HIS 235 CO 0.03 -0.29 0.15 1.52 -2.00 0.00 0.00 174.74 174.16 1xq9 s TYR 236 N 0.89 0.01 -0.16 0.38 -0.85 0.05 -4.97 117.35 112.71 1xq9 s TYR 236 Ca -0.05 -0.06 -0.22 0.00 -0.52 0.00 0.00 57.07 56.21 1xq9 s TYR 236 Cb -0.06 -0.03 -0.03 0.00 0.38 0.00 0.00 41.96 42.22 1xq9 s TYR 236 CO -0.07 -0.28 0.68 0.71 -1.52 0.00 0.00 175.55 175.07 1xq9 s TYR 237 N -1.28 3.44 -1.16 -3.49 2.02 -1.26 -0.80 117.35 114.82 1xq9 s TYR 237 Ca -0.14 1.07 -0.20 0.00 -0.37 0.00 0.00 57.07 57.44 1xq9 s TYR 237 Cb -0.07 -2.84 0.07 0.00 -0.40 0.00 0.00 41.96 38.72 1xq9 s TYR 237 CO 0.02 -0.11 1.58 -0.51 -1.57 0.00 0.00 175.55 174.95 1xq9 s LEU 238 N 1.65 3.79 0.16 -1.29 1.43 -0.97 -4.92 118.68 118.53 1xq9 s LEU 238 Ca 0.33 -2.03 -0.15 0.00 -1.03 0.00 0.00 54.13 51.25 1xq9 s LEU 238 Cb -0.16 -2.56 0.02 0.00 0.03 0.00 0.00 46.19 43.52 1xq9 s LEU 238 CO 0.13 -1.29 0.41 -0.76 0.23 0.00 0.00 176.35 175.06 1xq9 s LEU 239 N 4.38 0.46 0.11 1.79 1.43 -1.26 -4.48 118.68 121.11 1xq9 s LEU 239 Ca 0.49 -0.51 -0.31 0.00 -1.03 0.00 0.00 54.13 52.78 1xq9 s LEU 239 Cb 0.02 1.77 -0.07 0.00 0.03 0.00 0.00 46.19 47.94 1xq9 s LEU 239 CO -0.01 -0.92 1.26 1.51 0.23 0.00 0.00 176.35 178.42 1xq9 s ASP 240 N -2.86 7.00 0.00 2.29 -4.77 -1.26 -4.90 116.67 112.16 1xq9 s ASP 240 Ca 0.08 2.17 0.00 0.00 -3.30 0.00 0.00 52.55 51.50 1xq9 s ASP 240 Cb 0.01 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 39.26 1xq9 s ASP 240 CO -0.06 -0.51 0.17 -1.20 0.70 0.00 0.00 175.17 174.27 1xq9 n SER 241 N 3.62 0.52 0.00 2.11 7.64 -1.26 -1.74 113.62 124.51 1xq9 n SER 241 Ca 0.09 -0.35 0.00 0.00 1.01 0.00 0.00 58.87 59.61 1xq9 n SER 241 Cb 0.45 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 1xq9 n SER 241 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xq9 n GLU 242 N 0.93 1.81 0.09 1.43 -0.58 -1.26 -4.54 120.64 118.52 1xq9 n GLU 242 Ca 0.00 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.52 1xq9 n GLU 242 Cb 0.09 -0.89 -0.13 0.00 -0.57 0.00 0.00 31.44 29.93 1xq9 n GLU 242 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1xq9 h GLU 243 N 0.00 0.58 -0.17 3.49 5.08 -1.74 -3.19 114.58 118.63 1xq9 h GLU 243 Ca 0.00 -0.79 0.05 0.00 -1.00 0.00 0.00 59.36 57.61 1xq9 h GLU 243 Cb 0.79 0.27 -0.05 0.00 0.50 0.00 0.00 28.75 30.25 1xq9 h GLU 243 CO 0.00 1.36 -0.15 1.25 -1.00 0.00 0.00 179.01 180.47 1xq9 h LEU 244 N 0.18 -0.47 -0.62 1.33 5.85 -1.77 1.22 115.31 121.04 1xq9 h LEU 244 Ca -0.18 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.68 1xq9 h LEU 244 Cb 1.87 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 43.09 1xq9 h LEU 244 CO 0.23 -0.19 0.33 0.11 -0.34 0.00 0.00 178.44 178.58 1xq9 h LYS 245 N -0.16 0.61 0.29 1.25 1.57 -1.80 -1.12 116.57 117.21 1xq9 h LYS 245 Ca 0.11 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1xq9 h LYS 245 Cb 0.32 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1xq9 h LYS 245 CO -0.27 0.40 -0.14 -0.22 -0.57 0.00 0.00 179.45 178.65 1xq9 h LYS 246 N 0.63 -0.38 0.00 3.15 3.64 -1.38 -2.97 116.57 119.26 1xq9 h LYS 246 Ca 0.28 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1xq9 h LYS 246 Cb 0.17 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1xq9 h LYS 246 CO -0.18 -0.20 0.00 1.17 -2.27 0.00 0.00 179.45 177.98 1xq9 n LYS 247 N -5.22 0.12 -3.00 1.90 3.00 0.42 -4.29 118.16 111.09 1xq9 n LYS 247 Ca -0.10 0.11 -0.44 0.00 -0.00 0.00 0.00 58.31 57.89 1xq9 n LYS 247 Cb 0.20 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.73 1xq9 n LYS 247 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1xq9 n MET 248 N -1.14 3.67 0.00 1.64 2.81 -0.47 -4.71 117.12 118.93 1xq9 n MET 248 Ca 0.03 -4.14 0.00 0.00 -1.81 0.00 0.00 57.70 51.78 1xq9 n MET 248 Cb 0.03 -2.76 0.00 0.00 -0.71 0.00 0.00 33.22 29.78 1xq9 n MET 248 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08