#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qxs s PRO 2 N 0.00 3.02 -0.37 3.17 0.02 -1.26 -4.95 135.00 134.63 1qxs s PRO 2 Ca 0.00 1.99 -0.15 0.00 0.02 0.00 0.00 61.00 62.86 1qxs s PRO 2 Cb 0.00 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.46 1qxs s PRO 2 CO 0.00 -1.21 0.34 0.42 -0.33 0.00 0.00 177.00 176.22 1qxs s ILE 3 N -1.46 5.19 -0.68 2.83 1.01 -0.61 -4.83 121.20 122.65 1qxs s ILE 3 Ca 0.75 -0.23 -0.26 0.00 0.00 0.00 0.00 60.65 60.91 1qxs s ILE 3 Cb -0.35 -3.87 -0.01 0.00 0.01 0.00 0.00 42.46 38.24 1qxs s ILE 3 CO 0.39 -0.20 1.75 -0.54 0.00 0.00 0.00 174.94 176.34 1qxs s LYS 4 N 1.93 2.75 0.14 2.79 -0.14 -1.26 0.69 119.74 126.64 1qxs s LYS 4 Ca 0.09 0.29 0.04 0.00 -1.36 0.00 0.00 55.97 55.03 1qxs s LYS 4 Cb -0.17 -4.46 -0.04 0.00 -1.68 0.00 0.00 37.83 31.48 1qxs s LYS 4 CO 0.12 -2.68 0.15 0.08 -0.76 0.00 0.00 175.35 172.26 1qxs s VAL 5 N 8.44 4.66 -0.08 3.17 1.01 0.50 -1.91 120.40 136.20 1qxs s VAL 5 Ca 0.61 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 1qxs s VAL 5 Cb -0.11 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 32.95 1qxs s VAL 5 CO 0.16 -0.06 0.04 -0.83 0.00 0.00 0.00 175.10 174.41 1qxs s GLY 6 N -2.98 0.37 -0.21 4.51 0.00 -0.20 -1.13 107.32 107.68 1qxs s GLY 6 Ca 0.31 -0.05 -0.20 0.00 0.00 0.00 0.00 44.72 44.78 1qxs s GLY 6 CO 0.24 1.32 0.61 -0.42 0.00 0.00 0.00 173.10 174.85 1qxs s ILE 7 N 2.06 5.03 -0.30 0.90 1.01 -0.54 -1.43 121.20 127.93 1qxs s ILE 7 Ca 0.04 1.13 -0.14 0.00 0.00 0.00 0.00 60.65 61.68 1qxs s ILE 7 Cb -0.13 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 1qxs s ILE 7 CO -0.05 0.10 0.33 0.21 0.00 0.00 0.00 174.94 175.54 1qxs s ASN 8 N 1.26 6.18 0.00 3.58 3.04 -0.26 -1.69 114.94 127.04 1qxs s ASN 8 Ca 0.27 0.02 0.00 0.00 0.04 0.00 0.00 52.86 53.20 1qxs s ASN 8 Cb -0.16 -2.19 0.00 0.00 -1.54 0.00 0.00 41.25 37.37 1qxs s ASN 8 CO 0.10 -0.22 0.00 0.61 -3.04 0.00 0.00 177.10 174.55 1qxs n GLY 9 N 4.87 -1.74 2.59 1.21 0.00 0.21 -1.59 105.19 110.74 1qxs n GLY 9 Ca -0.10 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 1qxs n GLY 9 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1qxs n PHE 10 N -0.23 3.16 -1.04 1.61 7.35 -1.23 -4.14 117.46 122.94 1qxs n PHE 10 Ca 0.00 -3.01 0.00 0.00 -0.76 0.00 0.00 57.45 53.68 1qxs n PHE 10 Cb 0.00 -2.53 0.00 0.00 0.35 0.00 0.00 39.48 37.30 1qxs n PHE 10 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1qxs n GLY 11 N 3.90 2.07 0.36 7.13 0.00 -1.26 -4.59 105.19 112.79 1qxs n GLY 11 Ca 0.61 -1.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.62 1qxs n GLY 11 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1qxs h ARG 12 N 0.00 -0.43 -0.13 1.61 9.65 -1.94 0.24 114.38 123.38 1qxs h ARG 12 Ca 0.00 0.03 -0.23 0.00 -1.10 0.00 0.00 59.98 58.68 1qxs h ARG 12 Cb 0.00 0.10 0.01 0.00 -1.39 0.00 0.00 29.97 28.69 1qxs h ARG 12 CO 0.00 -0.29 -0.83 0.82 2.80 0.00 0.00 179.97 182.48 1qxs h ILE 13 N -0.45 1.28 -0.45 1.20 1.08 -1.91 -2.26 117.51 116.01 1qxs h ILE 13 Ca 0.08 -2.03 0.09 0.00 -0.39 0.00 0.00 64.86 62.62 1qxs h ILE 13 Cb 0.58 2.05 -0.09 0.00 -3.07 0.00 0.00 36.82 36.29 1qxs h ILE 13 CO -0.35 0.64 -0.12 1.23 -0.69 0.00 0.00 178.15 178.86 1qxs h GLY 14 N 0.56 0.30 2.00 5.37 0.00 -1.63 0.47 103.07 110.15 1qxs h GLY 14 Ca -0.07 0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.34 1qxs h GLY 14 CO 0.17 -0.17 -0.38 3.21 0.00 0.00 0.00 176.54 179.36 1qxs h ARG 15 N -0.01 0.00 0.02 4.80 3.08 -0.52 -2.07 114.38 119.67 1qxs h ARG 15 Ca 0.21 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.06 1qxs h ARG 15 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1qxs h ARG 15 CO -0.47 0.38 -0.94 0.52 -1.07 0.00 0.00 179.97 178.39 1qxs h MET 16 N 0.00 0.14 -0.37 0.04 2.86 -0.44 -1.26 114.93 115.91 1qxs h MET 16 Ca -0.00 -0.18 -0.14 0.00 -2.06 0.00 0.00 59.70 57.32 1qxs h MET 16 Cb 0.76 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 1qxs h MET 16 CO 0.05 0.98 -0.31 0.28 1.06 0.00 0.00 176.91 178.97 1qxs h VAL 17 N 0.07 1.28 -0.61 -2.22 2.07 0.09 -0.90 116.25 116.03 1qxs h VAL 17 Ca -0.04 -1.47 -0.05 0.00 0.82 0.00 0.00 66.70 65.95 1qxs h VAL 17 Cb 1.61 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 32.76 1qxs h VAL 17 CO 0.14 0.49 0.20 0.15 0.02 0.00 0.00 177.57 178.57 1qxs h PHE 18 N 0.66 0.97 0.00 1.57 3.04 -1.36 -1.93 116.94 119.89 1qxs h PHE 18 Ca 0.07 -0.09 0.00 0.00 3.98 0.00 0.00 57.97 61.92 1qxs h PHE 18 Cb 0.89 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 39.12 1qxs h PHE 18 CO 0.06 0.80 0.00 1.96 -2.02 0.00 0.00 178.31 179.11 1qxs h GLN 19 N 0.87 0.00 0.15 1.11 4.20 -1.09 -2.70 115.11 117.65 1qxs h GLN 19 Ca 0.20 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 1qxs h GLN 19 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1qxs h GLN 19 CO -0.01 0.00 -0.07 0.00 -0.67 0.00 0.00 178.83 178.08 1qxs h ALA 20 N 2.12 -0.20 -0.36 3.87 0.00 -0.38 -1.35 119.26 122.95 1qxs h ALA 20 Ca 0.00 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.76 1qxs h ALA 20 Cb 0.54 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 1qxs h ALA 20 CO 0.00 -0.38 -0.42 -0.07 0.00 0.00 0.00 179.25 178.39 1qxs h LEU 21 N -0.68 -1.38 -0.27 0.00 3.38 -1.21 -0.48 115.31 114.67 1qxs h LEU 21 Ca -0.02 0.21 0.04 0.00 0.09 0.00 0.00 57.88 58.20 1qxs h LEU 21 Cb 0.50 0.60 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 1qxs h LEU 21 CO 0.03 -0.37 0.01 0.00 0.09 0.00 0.00 178.44 178.20 1qxs h GLU 23 N 0.09 -0.01 0.00 0.00 4.81 -0.65 0.70 114.58 119.52 1qxs h GLU 23 Ca 0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1qxs h GLU 23 Cb 0.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1qxs h GLU 23 CO -0.21 -0.01 0.00 -0.44 -0.73 0.00 0.00 179.01 177.62 1qxs h ASP 24 N -0.01 0.00 -1.92 1.04 3.32 -0.63 -3.47 116.42 114.74 1qxs h ASP 24 Ca 0.13 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 1qxs h ASP 24 Cb 0.22 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.77 1qxs h ASP 24 CO -0.29 0.00 -0.04 0.61 -1.72 0.00 0.00 179.24 177.80 1qxs n GLY 25 N 0.30 0.54 0.70 2.75 0.00 0.12 -4.99 105.19 104.61 1qxs n GLY 25 Ca 0.03 -0.50 0.06 0.00 0.00 0.00 0.00 46.02 45.61 1qxs n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qxs n LEU 26 N -1.04 2.96 -4.68 0.99 4.77 -0.07 -4.68 117.00 115.25 1qxs n LEU 26 Ca -0.01 -1.92 -0.42 0.00 -0.03 0.00 0.00 56.01 53.63 1qxs n LEU 26 Cb 0.51 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 1qxs n LEU 26 CO 0.03 0.73 0.65 -0.22 -1.33 0.00 0.00 177.39 177.25 1qxs s LEU 27 N -1.00 4.21 -0.77 2.23 2.96 -1.26 0.51 118.68 125.56 1qxs s LEU 27 Ca 0.25 1.29 0.00 0.00 -0.22 0.00 0.00 54.13 55.45 1qxs s LEU 27 Cb 0.13 -3.32 0.00 0.00 0.50 0.00 0.00 46.19 43.50 1qxs s LEU 27 CO 0.17 -0.39 0.00 0.61 -1.32 0.00 0.00 176.35 175.42 1qxs n GLY 28 N 3.31 0.79 0.00 7.98 0.00 -0.87 -4.76 105.19 111.65 1qxs n GLY 28 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1qxs n GLY 28 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1qxs n THR 29 N -2.37 0.00 -0.02 2.61 -1.04 -1.22 -4.96 114.28 107.28 1qxs n THR 29 Ca -0.07 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.78 1qxs n THR 29 Cb 0.45 -0.30 -0.14 0.00 -1.82 0.00 0.00 70.33 68.52 1qxs n THR 29 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1qxs n GLU 30 N -0.71 0.70 -5.16 -2.82 -0.58 -1.10 -4.46 120.64 106.51 1qxs n GLU 30 Ca 0.00 0.25 -0.31 0.00 -0.42 0.00 0.00 57.16 56.68 1qxs n GLU 30 Cb 0.00 -1.71 -0.17 0.00 -0.57 0.00 0.00 31.44 28.99 1qxs n GLU 30 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1qxs s ILE 31 N -2.56 1.94 -0.54 -3.67 1.01 0.18 -1.57 121.20 115.98 1qxs s ILE 31 Ca -0.16 -0.97 -0.07 0.00 0.00 0.00 0.00 60.65 59.45 1qxs s ILE 31 Cb 0.07 -1.67 0.14 0.00 0.01 0.00 0.00 42.46 41.02 1qxs s ILE 31 CO 0.78 0.54 0.39 -0.62 0.00 0.00 0.00 174.94 176.03 1qxs s ASP 32 N 0.18 5.61 -0.74 3.58 -1.08 0.22 -2.04 116.67 122.40 1qxs s ASP 32 Ca -0.13 -2.30 -0.26 0.00 -0.52 0.00 0.00 52.55 49.35 1qxs s ASP 32 Cb -0.16 -1.95 0.01 0.00 -1.46 0.00 0.00 42.92 39.35 1qxs s ASP 32 CO 0.06 -0.56 1.56 -0.69 0.52 0.00 0.00 175.17 176.06 1qxs s VAL 33 N 0.77 3.59 0.21 1.11 1.01 -1.26 -0.37 120.40 125.46 1qxs s VAL 33 Ca 0.11 0.16 0.07 0.00 0.00 0.00 0.00 61.98 62.31 1qxs s VAL 33 Cb -0.22 -4.51 -0.09 0.00 0.00 0.00 0.00 36.38 31.55 1qxs s VAL 33 CO -0.03 -1.46 1.49 0.58 0.00 0.00 0.00 175.10 175.68 1qxs h VAL 34 N 6.51 1.49 -1.54 2.92 2.07 -1.45 -3.41 116.25 122.84 1qxs h VAL 34 Ca -0.20 -2.44 0.08 0.00 0.82 0.00 0.00 66.70 64.97 1qxs h VAL 34 Cb 1.08 2.32 -0.25 0.00 -1.52 0.00 0.00 31.29 32.92 1qxs h VAL 34 CO 1.27 0.70 0.53 0.00 0.02 0.00 0.00 177.57 180.09 1qxs s ALA 35 N -3.39 -1.97 0.50 1.67 0.00 -1.25 -2.67 121.76 114.66 1qxs s ALA 35 Ca -0.02 1.74 0.07 0.00 0.00 0.00 0.00 51.96 53.75 1qxs s ALA 35 Cb 0.11 -1.14 0.03 0.00 0.00 0.00 0.00 23.12 22.12 1qxs s ALA 35 CO 0.80 -0.26 0.50 0.14 0.00 0.00 0.00 175.76 176.93 1qxs s VAL 36 N -0.39 2.20 -0.35 0.00 -7.23 0.01 -1.47 120.40 113.16 1qxs s VAL 36 Ca 0.01 -1.30 0.01 0.00 -1.81 0.00 0.00 61.98 58.90 1qxs s VAL 36 Cb -0.03 -2.49 0.19 0.00 0.56 0.00 0.00 36.38 34.61 1qxs s VAL 36 CO -0.03 0.00 0.78 0.54 -0.31 0.00 0.00 175.10 176.07 1qxs s VAL 37 N -2.62 -0.71 0.00 1.32 0.11 -0.68 -2.86 120.40 114.96 1qxs s VAL 37 Ca 0.47 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.52 1qxs s VAL 37 Cb -0.04 -0.20 0.00 0.00 -1.53 0.00 0.00 36.38 34.62 1qxs s VAL 37 CO 0.28 0.00 0.00 -0.67 -3.33 0.00 0.00 175.10 171.38 1qxs n ASP 38 N 4.47 0.41 0.00 3.54 -0.08 -1.26 0.66 116.55 124.28 1qxs n ASP 38 Ca 0.08 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 1qxs n ASP 38 Cb 0.58 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.04 1qxs n ASP 38 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 1qxs n MET 39 N 0.00 0.00 -1.01 -0.67 2.81 -1.26 -3.23 117.12 113.76 1qxs n MET 39 Ca 0.00 0.62 0.00 0.00 -1.81 0.00 0.00 57.70 56.51 1qxs n MET 39 Cb 0.00 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.01 1qxs n MET 39 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1qxs n ASN 40 N -2.24 0.23 -2.39 7.83 0.23 -1.26 -4.13 115.26 113.53 1qxs n ASN 40 Ca 0.00 -0.91 -0.14 0.00 -0.53 0.00 0.00 54.58 53.01 1qxs n ASN 40 Cb 0.00 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 37.73 1qxs n ASN 40 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 1qxs n THR 41 N -0.80 1.96 -3.15 5.53 -1.04 -1.26 -4.80 114.28 110.71 1qxs n THR 41 Ca 0.00 -3.66 -0.45 0.00 -2.04 0.00 0.00 64.05 57.89 1qxs n THR 41 Cb 0.00 -0.07 -0.02 0.00 -1.82 0.00 0.00 70.33 68.42 1qxs n THR 41 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1qxs s ASP 42 N -3.68 6.80 0.48 8.00 -1.08 -1.26 -4.50 116.67 121.43 1qxs s ASP 42 Ca 0.40 -2.57 0.21 0.00 -0.52 0.00 0.00 52.55 50.07 1qxs s ASP 42 Cb 0.37 -2.29 1.24 0.00 -1.46 0.00 0.00 42.92 40.78 1qxs s ASP 42 CO -0.00 -0.74 1.96 0.00 0.52 0.00 0.00 175.17 176.92 1qxs h ALA 43 N 8.00 2.33 -0.37 3.66 0.00 -1.80 0.63 119.26 131.71 1qxs h ALA 43 Ca 0.15 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1qxs h ALA 43 Cb 1.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1qxs h ALA 43 CO 0.95 -0.50 0.03 0.93 0.00 0.00 0.00 179.25 180.66 1qxs h GLU 44 N 0.19 0.56 0.03 0.00 5.08 -1.90 0.79 114.58 119.34 1qxs h GLU 44 Ca 0.30 -0.11 -0.28 0.00 -1.00 0.00 0.00 59.36 58.27 1qxs h GLU 44 Cb 0.93 -0.09 0.02 0.00 0.50 0.00 0.00 28.75 30.12 1qxs h GLU 44 CO -0.05 0.56 -1.10 -0.92 -1.00 0.00 0.00 179.01 176.50 1qxs h TYR 45 N 0.54 1.05 -0.61 4.33 3.20 -1.31 -2.81 116.97 121.35 1qxs h TYR 45 Ca 0.12 -0.59 -0.01 0.00 3.14 0.00 0.00 58.73 61.39 1qxs h TYR 45 Cb 0.30 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 1qxs h TYR 45 CO 0.01 1.43 0.36 0.74 -1.64 0.00 0.00 178.16 179.06 1qxs h PHE 46 N 0.37 0.80 0.39 -3.82 -1.00 -0.82 -1.59 116.94 111.28 1qxs h PHE 46 Ca -0.15 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.62 1qxs h PHE 46 Cb 1.76 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 41.06 1qxs h PHE 46 CO 0.11 0.54 -0.19 0.00 -1.61 0.00 0.00 178.31 177.16 1qxs h ALA 47 N 1.56 -0.53 -0.59 2.45 0.00 -0.82 -1.59 119.26 119.74 1qxs h ALA 47 Ca 0.22 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.09 1qxs h ALA 47 Cb -0.02 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 17.87 1qxs h ALA 47 CO -0.04 -0.71 -0.00 -0.92 0.00 0.00 0.00 179.25 177.57 1qxs h TYR 48 N -0.69 -0.04 -0.43 0.00 3.20 -1.22 0.37 116.97 118.16 1qxs h TYR 48 Ca -0.05 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1qxs h TYR 48 Cb 0.49 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 1qxs h TYR 48 CO -0.01 -0.15 0.26 1.96 -1.64 0.00 0.00 178.16 178.58 1qxs h GLN 49 N 0.12 0.57 -0.36 1.82 4.20 -1.18 -0.94 115.11 119.34 1qxs h GLN 49 Ca 0.30 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.88 1qxs h GLN 49 Cb 0.48 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1qxs h GLN 49 CO -0.50 0.42 -0.13 0.52 -0.67 0.00 0.00 178.83 178.46 1qxs h MET 50 N 0.57 0.72 -0.83 1.46 2.86 -0.58 -3.24 114.93 115.89 1qxs h MET 50 Ca 0.15 -0.30 0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1qxs h MET 50 Cb -0.02 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.56 1qxs h MET 50 CO -0.03 0.90 0.52 -0.09 1.06 0.00 0.00 176.91 179.27 1qxs h ARG 51 N 0.51 0.97 -5.29 1.72 2.43 -0.03 -3.37 114.38 111.31 1qxs h ARG 51 Ca 0.09 -0.06 -0.67 0.00 -0.81 0.00 0.00 59.98 58.52 1qxs h ARG 51 Cb 0.66 -0.22 -0.32 0.00 -0.42 0.00 0.00 29.97 29.67 1qxs h ARG 51 CO 0.04 0.64 -0.85 0.71 -1.51 0.00 0.00 179.97 179.00 1qxs s TYR 52 N -6.09 2.65 -0.08 2.20 2.02 -0.38 -2.53 117.35 115.13 1qxs s TYR 52 Ca -0.13 -1.04 -0.00 0.00 -0.37 0.00 0.00 57.07 55.53 1qxs s TYR 52 Cb 0.17 -1.77 0.02 0.00 -0.40 0.00 0.00 41.96 39.98 1qxs s TYR 52 CO 0.79 -0.43 -0.04 0.34 -1.57 0.00 0.00 175.55 174.64 1qxs s ASP 53 N 0.49 1.71 0.25 2.29 -1.08 -1.05 -4.72 116.67 114.57 1qxs s ASP 53 Ca -0.14 -0.18 -0.03 0.00 -0.52 0.00 0.00 52.55 51.68 1qxs s ASP 53 Cb -0.17 -0.61 0.49 0.00 -1.46 0.00 0.00 42.92 41.17 1qxs s ASP 53 CO 0.05 -0.13 1.74 0.74 0.52 0.00 0.00 175.17 178.09 1qxs h THR 54 N 6.22 0.68 0.00 1.71 2.02 -1.96 -2.69 112.91 118.89 1qxs h THR 54 Ca -0.27 -0.17 -0.40 0.00 0.77 0.00 0.00 66.41 66.34 1qxs h THR 54 Cb 1.13 0.13 -0.07 0.00 -1.74 0.00 0.00 68.15 67.60 1qxs h THR 54 CO 0.36 0.09 -2.47 0.55 0.37 0.00 0.00 175.52 174.42 1qxs n VAL 55 N -4.95 1.47 1.35 3.16 3.14 -1.26 -4.64 118.33 116.60 1qxs n VAL 55 Ca 0.15 -0.53 0.09 0.00 -2.96 0.00 0.00 64.34 61.09 1qxs n VAL 55 Cb 0.43 -1.48 0.34 0.00 -1.06 0.00 0.00 33.84 32.07 1qxs n VAL 55 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1qxs n HIS 56 N -3.41 0.21 -3.21 1.45 8.25 -1.24 -4.99 115.22 112.27 1qxs n HIS 56 Ca -0.47 -0.10 0.00 0.00 -0.26 0.00 0.00 57.72 56.89 1qxs n HIS 56 Cb 0.96 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.07 1qxs n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qxs n GLY 57 N 1.02 -1.85 3.75 -1.41 0.00 -1.01 -4.87 105.19 100.81 1qxs n GLY 57 Ca 0.14 -1.51 -0.39 0.00 0.00 0.00 0.00 46.02 44.26 1qxs n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qxs s LYS 58 N 0.00 4.31 0.23 1.61 1.02 -1.26 -2.52 119.74 123.13 1qxs s LYS 58 Ca 0.00 0.66 -0.32 0.00 0.02 0.00 0.00 55.97 56.33 1qxs s LYS 58 Cb 0.00 -3.37 -0.14 0.00 -0.52 0.00 0.00 37.83 33.80 1qxs s LYS 58 CO 0.00 0.30 1.37 0.34 -0.92 0.00 0.00 175.35 176.44 1qxs n PHE 59 N 3.04 2.02 0.19 3.18 7.35 -1.05 -4.89 117.46 127.29 1qxs n PHE 59 Ca -0.07 0.47 0.06 0.00 -0.76 0.00 0.00 57.45 57.15 1qxs n PHE 59 Cb 0.51 -2.43 0.30 0.00 0.35 0.00 0.00 39.48 38.21 1qxs n PHE 59 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1qxs h LYS 60 N 4.12 0.00 -5.79 -4.13 6.56 -1.94 -3.44 116.57 111.95 1qxs h LYS 60 Ca -0.45 0.00 -0.64 0.00 -1.06 0.00 0.00 60.65 58.50 1qxs h LYS 60 Cb 1.29 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.89 1qxs h LYS 60 CO 0.75 0.37 -0.42 0.71 -2.06 0.00 0.00 179.45 178.80 1qxs s TYR 61 N -3.49 3.60 0.34 -1.35 1.51 -1.26 -5.07 117.35 111.64 1qxs s TYR 61 Ca 0.01 0.58 -0.28 0.00 -1.01 0.00 0.00 57.07 56.37 1qxs s TYR 61 Cb 0.10 -1.98 -0.09 0.00 -0.11 0.00 0.00 41.96 39.87 1qxs s TYR 61 CO 0.69 0.67 1.18 -2.00 -1.11 0.00 0.00 175.55 174.98 1qxs s GLU 62 N -1.39 4.35 -0.04 -0.62 2.12 -1.26 -5.00 118.70 116.86 1qxs s GLU 62 Ca 0.22 1.93 0.05 0.00 0.36 0.00 0.00 54.97 57.53 1qxs s GLU 62 Cb -0.13 -2.96 -0.02 0.00 0.26 0.00 0.00 34.13 31.27 1qxs s GLU 62 CO 0.11 -0.09 -0.19 0.08 -0.54 0.00 0.00 175.26 174.63 1qxs s VAL 63 N -1.25 2.64 0.17 3.70 1.01 -1.26 -4.25 120.40 121.15 1qxs s VAL 63 Ca 0.50 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 1qxs s VAL 63 Cb -0.33 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 1qxs s VAL 63 CO 0.43 0.58 0.20 0.42 0.00 0.00 0.00 175.10 176.74 1qxs s THR 64 N -0.68 0.06 0.29 3.92 -4.23 -0.86 -5.01 115.64 109.11 1qxs s THR 64 Ca 0.11 -1.68 0.06 0.00 -1.18 0.00 0.00 61.69 59.00 1qxs s THR 64 Cb -0.10 -2.08 -0.06 0.00 1.34 0.00 0.00 72.50 71.60 1qxs s THR 64 CO -0.00 -0.25 -0.04 0.42 -0.54 0.00 0.00 174.62 174.21 1qxs s THR 65 N -4.04 1.55 0.23 3.99 -4.23 -1.26 0.33 115.64 112.21 1qxs s THR 65 Ca 0.24 -2.10 -0.22 0.00 -1.18 0.00 0.00 61.69 58.43 1qxs s THR 65 Cb 0.05 -2.50 0.05 0.00 1.34 0.00 0.00 72.50 71.44 1qxs s THR 65 CO 0.04 -0.25 0.88 0.28 -0.54 0.00 0.00 174.62 175.02 1qxs s THR 66 N -3.07 0.00 0.10 3.99 -1.32 -0.29 -4.92 115.64 110.14 1qxs s THR 66 Ca 0.30 -0.80 -0.04 0.00 -1.21 0.00 0.00 61.69 59.94 1qxs s THR 66 Cb 0.05 -2.23 -0.05 0.00 -1.51 0.00 0.00 72.50 68.75 1qxs s THR 66 CO 0.12 0.00 0.31 -0.54 -2.21 0.00 0.00 174.62 172.31 1qxs s LYS 67 N -3.20 3.56 0.21 7.08 1.02 -1.26 -0.88 119.74 126.28 1qxs s LYS 67 Ca 0.14 -0.18 0.14 0.00 0.02 0.00 0.00 55.97 56.08 1qxs s LYS 67 Cb -0.03 -2.94 -0.02 0.00 -0.52 0.00 0.00 37.83 34.31 1qxs s LYS 67 CO 0.05 0.54 1.29 0.66 -0.92 0.00 0.00 175.35 176.97 1qxs h SER 68 N 3.08 0.00 -3.64 2.83 4.64 -1.94 -3.46 113.55 115.06 1qxs h SER 68 Ca -0.46 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.67 1qxs h SER 68 Cb 1.17 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.98 1qxs h SER 68 CO 0.73 0.61 -0.49 -0.55 -0.87 0.00 0.00 176.83 176.25 1qxs s SER 69 N -6.37 -0.22 0.65 4.97 0.15 -1.26 -5.02 113.70 106.59 1qxs s SER 69 Ca 0.02 0.44 0.27 0.00 0.70 0.00 0.00 55.95 57.38 1qxs s SER 69 Cb 0.08 0.40 1.45 0.00 -1.71 0.00 0.00 66.02 66.25 1qxs s SER 69 CO 0.77 -0.11 1.83 -0.65 1.20 0.00 0.00 173.24 176.29 1qxs h PRO 70 N 6.35 0.00 -1.93 5.44 0.11 -2.03 -2.40 132.00 137.53 1qxs h PRO 70 Ca -0.31 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.33 1qxs h PRO 70 Cb 1.18 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.12 1qxs h PRO 70 CO 0.38 0.00 0.36 -1.13 -0.21 0.00 0.00 178.00 177.40 1qxs n SER 71 N -3.05 6.42 -4.14 -2.05 3.41 -1.26 -4.90 113.62 108.05 1qxs n SER 71 Ca 0.01 -3.16 -0.20 0.00 -0.26 0.00 0.00 58.87 55.26 1qxs n SER 71 Cb 0.51 -1.22 -0.13 0.00 -0.26 0.00 0.00 64.21 63.11 1qxs n SER 71 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1qxs s VAL 72 N -2.13 1.09 0.00 -3.33 1.01 -0.90 -5.10 120.40 111.04 1qxs s VAL 72 Ca 0.56 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1qxs s VAL 72 Cb 0.36 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.74 1qxs s VAL 72 CO -0.19 -0.04 0.16 0.00 0.00 0.00 0.00 175.10 175.03 1qxs n ALA 73 N 1.79 0.00 -2.71 5.51 0.00 -1.26 -4.88 120.51 118.97 1qxs n ALA 73 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.93 1qxs n ALA 73 Cb 0.55 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.95 1qxs n ALA 73 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1qxs s LYS 74 N -0.32 3.61 0.13 0.00 1.02 -1.26 -5.01 119.74 117.90 1qxs s LYS 74 Ca 0.00 -0.10 -0.34 0.00 0.02 0.00 0.00 55.97 55.55 1qxs s LYS 74 Cb 0.00 -2.93 -0.17 0.00 -0.52 0.00 0.00 37.83 34.21 1qxs s LYS 74 CO 0.00 0.53 1.04 -0.25 -0.92 0.00 0.00 175.35 175.75 1qxs n ASP 75 N 0.40 0.59 0.00 2.83 9.92 -1.26 -4.85 116.55 124.18 1qxs n ASP 75 Ca -0.05 1.14 0.00 0.00 -0.53 0.00 0.00 54.79 55.35 1qxs n ASP 75 Cb 0.52 -1.10 0.00 0.00 -0.64 0.00 0.00 41.12 39.90 1qxs n ASP 75 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1qxs n ASP 76 N 1.91 1.21 -4.19 -2.24 5.75 -0.93 -2.65 116.55 115.41 1qxs n ASP 76 Ca 0.17 -1.22 -0.29 0.00 -0.01 0.00 0.00 54.79 53.45 1qxs n ASP 76 Cb 0.20 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.13 1qxs n ASP 76 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1qxs s THR 77 N -0.22 1.72 -0.01 2.12 2.01 -0.06 -2.38 115.64 118.83 1qxs s THR 77 Ca 0.00 -0.87 -0.14 0.00 0.31 0.00 0.00 61.69 60.99 1qxs s THR 77 Cb 0.00 -1.47 -0.06 0.00 0.01 0.00 0.00 72.50 70.98 1qxs s THR 77 CO 0.00 0.48 0.39 -0.22 -0.69 0.00 0.00 174.62 174.59 1qxs s LEU 78 N 0.05 4.47 -0.23 4.42 2.96 0.29 -1.14 118.68 129.50 1qxs s LEU 78 Ca -0.06 0.94 0.01 0.00 -0.22 0.00 0.00 54.13 54.79 1qxs s LEU 78 Cb -0.13 -2.56 0.06 0.00 0.50 0.00 0.00 46.19 44.06 1qxs s LEU 78 CO 0.04 0.33 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.64 1qxs s VAL 79 N -1.07 1.60 -0.33 1.68 1.01 0.15 0.10 120.40 123.55 1qxs s VAL 79 Ca 0.23 -1.23 0.01 0.00 0.00 0.00 0.00 61.98 60.99 1qxs s VAL 79 Cb -0.16 -1.83 0.08 0.00 0.00 0.00 0.00 36.38 34.47 1qxs s VAL 79 CO 0.13 -0.06 0.04 -0.69 0.00 0.00 0.00 175.10 174.52 1qxs s VAL 80 N 1.37 2.69 -0.98 2.92 1.01 -0.24 -2.04 120.40 125.13 1qxs s VAL 80 Ca -0.06 -1.85 -0.12 0.00 0.00 0.00 0.00 61.98 59.96 1qxs s VAL 80 Cb -0.19 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 1qxs s VAL 80 CO -0.06 -0.35 0.74 0.59 0.00 0.00 0.00 175.10 176.01 1qxs n ASN 81 N 4.47 -5.83 0.00 3.32 3.02 -1.26 -2.07 115.26 116.92 1qxs n ASN 81 Ca -0.06 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 1qxs n ASN 81 Cb 0.42 -3.51 0.00 0.00 -0.61 0.00 0.00 39.78 36.09 1qxs n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qxs n GLY 82 N -1.68 1.15 3.77 7.41 0.00 -1.26 -4.96 105.19 109.62 1qxs n GLY 82 Ca -0.12 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 1qxs n GLY 82 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qxs s HIS 83 N -0.01 3.03 -0.25 1.61 5.04 -0.88 -5.02 115.29 118.81 1qxs s HIS 83 Ca 0.00 1.55 0.01 0.00 -1.54 0.00 0.00 55.06 55.08 1qxs s HIS 83 Cb 0.00 -3.38 0.05 0.00 0.04 0.00 0.00 32.58 29.29 1qxs s HIS 83 CO 0.00 -1.34 -0.10 1.03 -2.34 0.00 0.00 174.74 171.99 1qxs s ARG 84 N -2.40 2.50 -0.19 2.88 0.52 -1.26 -1.07 118.95 119.93 1qxs s ARG 84 Ca 0.59 -1.18 -0.09 0.00 -0.52 0.00 0.00 55.73 54.52 1qxs s ARG 84 Cb -0.30 -2.88 -0.05 0.00 0.52 0.00 0.00 34.95 32.24 1qxs s ARG 84 CO 0.37 -0.48 0.12 0.42 0.02 0.00 0.00 175.30 175.75 1qxs s ILE 85 N 1.19 5.30 0.09 1.52 1.09 0.28 -4.84 121.20 125.84 1qxs s ILE 85 Ca -0.04 0.15 -0.13 0.00 -1.10 0.00 0.00 60.65 59.52 1qxs s ILE 85 Cb -0.18 -3.40 -0.06 0.00 -1.06 0.00 0.00 42.46 37.76 1qxs s ILE 85 CO -0.06 0.47 0.47 -0.22 -0.10 0.00 0.00 174.94 175.50 1qxs s LEU 86 N 0.17 4.38 -0.48 2.97 2.96 -1.09 0.10 118.68 127.69 1qxs s LEU 86 Ca 0.08 0.96 -0.08 0.00 -0.22 0.00 0.00 54.13 54.88 1qxs s LEU 86 Cb -0.11 -3.03 0.12 0.00 0.50 0.00 0.00 46.19 43.67 1qxs s LEU 86 CO -0.01 0.17 0.33 0.00 -1.32 0.00 0.00 176.35 175.53 1qxs s VAL 88 N 1.20 2.81 -0.05 0.00 -7.23 -1.13 -4.80 120.40 111.20 1qxs s VAL 88 Ca 0.07 -0.07 -0.30 0.00 -1.81 0.00 0.00 61.98 59.88 1qxs s VAL 88 Cb -0.25 -3.20 -0.02 0.00 0.56 0.00 0.00 36.38 33.47 1qxs s VAL 88 CO -0.02 -0.22 1.04 -0.75 -0.31 0.00 0.00 175.10 174.84 1qxs s LYS 89 N -5.22 4.46 1.08 4.82 2.36 -1.26 -4.46 119.74 121.52 1qxs s LYS 89 Ca 0.58 1.47 -0.20 0.00 -2.55 0.00 0.00 55.97 55.27 1qxs s LYS 89 Cb -0.11 -3.50 0.06 0.00 -1.05 0.00 0.00 37.83 33.23 1qxs s LYS 89 CO 0.46 -0.23 -0.26 0.00 1.55 0.00 0.00 175.35 176.86 1qxs n ALA 90 N 4.55 -3.92 -2.36 3.13 0.00 -1.20 -5.01 120.51 115.71 1qxs n ALA 90 Ca 0.08 -1.28 -0.10 0.00 0.00 0.00 0.00 53.44 52.14 1qxs n ALA 90 Cb 0.49 -1.26 -0.09 0.00 0.00 0.00 0.00 19.45 18.59 1qxs n ALA 90 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1qxs s GLN 91 N -3.15 1.09 -0.08 0.00 -1.52 -1.26 -5.03 119.66 109.71 1qxs s GLN 91 Ca 0.48 -1.41 0.14 0.00 -1.95 0.00 0.00 55.36 52.62 1qxs s GLN 91 Cb -0.06 0.30 -0.20 0.00 -0.22 0.00 0.00 33.01 32.82 1qxs s GLN 91 CO 0.60 -0.35 0.19 -2.13 -0.25 0.00 0.00 175.29 173.35 1qxs n ARG 92 N -0.18 1.09 -3.92 2.91 0.63 -1.26 -4.86 116.66 111.07 1qxs n ARG 92 Ca -0.04 -0.07 -0.31 0.00 -0.92 0.00 0.00 57.85 56.51 1qxs n ARG 92 Cb 0.64 -1.35 -0.15 0.00 0.45 0.00 0.00 32.46 32.04 1qxs n ARG 92 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1qxs s ASN 93 N -4.19 4.25 0.55 6.15 3.04 -1.26 -4.99 114.94 118.49 1qxs s ASN 93 Ca -0.06 -1.65 0.39 0.00 0.04 0.00 0.00 52.86 51.58 1qxs s ASN 93 Cb 0.07 -1.28 1.57 0.00 -1.54 0.00 0.00 41.25 40.07 1qxs s ASN 93 CO 0.59 -0.33 1.76 -0.65 -3.04 0.00 0.00 177.10 175.43 1qxs h PRO 94 N 7.86 0.00 0.00 0.43 0.11 -1.87 0.91 132.00 139.44 1qxs h PRO 94 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1qxs h PRO 94 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1qxs h PRO 94 CO 0.47 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.26 1qxs n ALA 95 N -2.77 1.38 -1.00 -0.75 0.00 -1.18 -2.06 120.51 114.13 1qxs n ALA 95 Ca 0.28 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.74 1qxs n ALA 95 Cb 1.37 -1.13 0.31 0.00 0.00 0.00 0.00 19.45 20.00 1qxs n ALA 95 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1qxs n ASP 96 N -1.48 4.58 -4.86 0.00 8.00 0.32 -4.16 116.55 118.94 1qxs n ASP 96 Ca 0.02 -3.07 -0.35 0.00 0.71 0.00 0.00 54.79 52.10 1qxs n ASP 96 Cb 0.09 -0.63 -0.06 0.00 -0.02 0.00 0.00 41.12 40.51 1qxs n ASP 96 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qxs s LEU 97 N -2.87 4.33 -0.00 0.64 2.01 -0.87 -4.97 118.68 116.95 1qxs s LEU 97 Ca 0.49 0.88 0.00 0.00 0.01 0.00 0.00 54.13 55.51 1qxs s LEU 97 Cb 0.39 -3.12 0.00 0.00 0.01 0.00 0.00 46.19 43.47 1qxs s LEU 97 CO 0.11 0.13 0.90 -0.81 1.01 0.00 0.00 176.35 177.70 1qxs n PRO 98 N 0.80 1.00 -0.23 1.29 -0.04 -1.26 -4.46 135.00 132.10 1qxs n PRO 98 Ca -0.07 -0.01 0.04 0.00 -0.04 0.00 0.00 63.50 63.42 1qxs n PRO 98 Cb 0.52 -1.10 0.14 0.00 -0.04 0.00 0.00 33.50 33.02 1qxs n PRO 98 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1qxs h TRP 99 N 0.00 0.04 -0.21 0.54 -0.00 -1.88 0.44 115.95 114.88 1qxs h TRP 99 Ca 0.00 0.05 0.01 0.00 -0.00 0.00 0.00 58.89 58.95 1qxs h TRP 99 Cb 0.90 0.09 -0.02 0.00 -0.00 0.00 0.00 29.16 30.14 1qxs h TRP 99 CO 0.00 -0.17 0.11 0.78 -0.00 0.00 0.00 178.44 179.16 1qxs h GLY 100 N 0.15 0.28 1.20 1.49 0.00 0.02 0.30 103.07 106.51 1qxs h GLY 100 Ca 0.38 -0.08 -0.11 0.00 0.00 0.00 0.00 47.33 47.51 1qxs h GLY 100 CO -0.57 0.07 -0.15 1.70 0.00 0.00 0.00 176.54 177.59 1qxs h LYS 101 N 0.24 0.93 -0.17 4.80 3.64 -1.52 -2.92 116.57 121.57 1qxs h LYS 101 Ca 0.08 -0.36 -0.12 0.00 -1.27 0.00 0.00 60.65 58.99 1qxs h LYS 101 Cb 0.01 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1qxs h LYS 101 CO -0.05 1.02 -0.40 -0.07 -2.27 0.00 0.00 179.45 177.67 1qxs h LEU 102 N 0.82 0.39 0.00 5.20 -0.00 0.04 -3.47 115.31 118.30 1qxs h LEU 102 Ca 0.12 -0.17 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1qxs h LEU 102 Cb 0.70 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.25 1qxs h LEU 102 CO 0.05 0.76 0.00 0.61 -0.00 0.00 0.00 178.44 179.86 1qxs n GLY 103 N -0.12 1.13 3.71 0.83 0.00 0.88 -5.06 105.19 106.58 1qxs n GLY 103 Ca -0.01 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1qxs n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qxs s VAL 104 N -2.00 5.08 -0.05 1.61 1.01 -0.21 -4.75 120.40 121.09 1qxs s VAL 104 Ca 0.00 1.31 0.07 0.00 0.00 0.00 0.00 61.98 63.36 1qxs s VAL 104 Cb 0.00 -3.98 -0.11 0.00 0.00 0.00 0.00 36.38 32.29 1qxs s VAL 104 CO 0.00 0.26 0.09 -1.84 0.00 0.00 0.00 175.10 173.61 1qxs n GLU 105 N 3.84 1.73 -4.06 2.72 0.28 -0.81 -3.81 120.64 120.53 1qxs n GLU 105 Ca -0.03 -0.03 -0.33 0.00 -0.16 0.00 0.00 57.16 56.61 1qxs n GLU 105 Cb 0.51 -1.20 -0.15 0.00 1.43 0.00 0.00 31.44 32.03 1qxs n GLU 105 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1qxs s TYR 106 N -2.34 3.06 -0.09 -1.84 1.51 -1.03 0.18 117.35 116.79 1qxs s TYR 106 Ca -0.03 -1.93 0.00 0.00 -1.01 0.00 0.00 57.07 54.10 1qxs s TYR 106 Cb 0.04 -1.96 -0.03 0.00 -0.11 0.00 0.00 41.96 39.90 1qxs s TYR 106 CO 0.33 -0.83 -0.09 0.14 -1.11 0.00 0.00 175.55 173.99 1qxs s VAL 107 N 1.21 3.48 -0.50 0.71 -7.23 -0.50 -1.03 120.40 116.54 1qxs s VAL 107 Ca -0.02 -0.54 -0.18 0.00 -1.81 0.00 0.00 61.98 59.43 1qxs s VAL 107 Cb -0.17 -2.44 0.07 0.00 0.56 0.00 0.00 36.38 34.40 1qxs s VAL 107 CO -0.08 0.56 0.56 -0.63 -0.31 0.00 0.00 175.10 175.20 1qxs s ILE 108 N -0.37 4.99 -0.86 -0.62 1.01 -0.51 -1.27 121.20 123.58 1qxs s ILE 108 Ca 0.05 -0.74 -0.25 0.00 0.00 0.00 0.00 60.65 59.70 1qxs s ILE 108 Cb -0.12 -4.26 0.03 0.00 0.01 0.00 0.00 42.46 38.12 1qxs s ILE 108 CO 0.02 -0.76 1.40 -0.70 0.00 0.00 0.00 174.94 174.90 1qxs s GLU 109 N 2.29 3.31 -0.16 2.79 -6.30 0.08 -1.11 118.70 119.61 1qxs s GLU 109 Ca 0.11 -0.57 0.14 0.00 -2.50 0.00 0.00 54.97 52.14 1qxs s GLU 109 Cb -0.22 -4.71 0.39 0.00 0.00 0.00 0.00 34.13 29.59 1qxs s GLU 109 CO 0.09 -2.24 1.20 -1.13 0.02 0.00 0.00 175.26 173.20 1qxs n SER 110 N 9.48 1.66 -0.03 -1.70 3.41 -0.62 -2.26 113.62 123.56 1qxs n SER 110 Ca 0.18 -3.48 -0.14 0.00 -0.26 0.00 0.00 58.87 55.17 1qxs n SER 110 Cb 0.50 -0.48 -0.11 0.00 -0.26 0.00 0.00 64.21 63.87 1qxs n SER 110 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1qxs h THR 111 N 1.81 1.51 0.00 6.66 1.35 -1.77 -3.44 112.91 119.04 1qxs h THR 111 Ca -0.03 -1.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.20 1qxs h THR 111 Cb 1.13 2.55 0.00 0.00 -1.73 0.00 0.00 68.15 70.10 1qxs h THR 111 CO 0.01 0.44 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 1qxs n GLY 112 N 0.73 0.70 1.01 5.82 0.00 -1.26 -4.94 105.19 107.24 1qxs n GLY 112 Ca -0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.02 1qxs n GLY 112 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qxs n LEU 113 N 0.00 3.53 -2.48 0.99 4.77 -1.26 -4.56 117.00 117.99 1qxs n LEU 113 Ca 0.00 -2.09 0.01 0.00 -0.03 0.00 0.00 56.01 53.90 1qxs n LEU 113 Cb 0.00 -0.38 0.04 0.00 -2.33 0.00 0.00 43.42 40.76 1qxs n LEU 113 CO 0.00 0.83 0.04 0.49 -1.33 0.00 0.00 177.39 177.42 1qxs n PHE 114 N 0.95 0.82 0.64 -1.77 3.72 -1.26 -4.87 117.46 115.69 1qxs n PHE 114 Ca 0.18 -1.71 0.10 0.00 -0.05 0.00 0.00 57.45 55.98 1qxs n PHE 114 Cb 0.56 -0.14 0.43 0.00 -0.94 0.00 0.00 39.48 39.39 1qxs n PHE 114 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1qxs n THR 115 N -0.36 0.66 -2.58 4.37 -2.24 -1.26 -3.50 114.28 109.38 1qxs n THR 115 Ca 0.05 0.15 -0.43 0.00 -2.27 0.00 0.00 64.05 61.55 1qxs n THR 115 Cb 0.89 -0.85 -0.02 0.00 -2.10 0.00 0.00 70.33 68.25 1qxs n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qxs s ALA 116 N -3.04 3.66 0.07 6.98 0.00 -1.26 -2.53 121.76 125.63 1qxs s ALA 116 Ca 0.09 0.29 -0.12 0.00 0.00 0.00 0.00 51.96 52.22 1qxs s ALA 116 Cb 0.12 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 1qxs s ALA 116 CO 0.37 -1.05 0.62 1.17 0.00 0.00 0.00 175.76 176.87 1qxs n LYS 117 N 6.30 -0.17 0.20 0.00 3.00 0.27 0.15 118.16 127.91 1qxs n LYS 117 Ca 0.12 0.61 0.07 0.00 -0.00 0.00 0.00 58.31 59.11 1qxs n LYS 117 Cb 0.46 -0.89 0.40 0.00 0.00 0.00 0.00 35.03 35.00 1qxs n LYS 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qxs h ALA 118 N 0.22 1.08 -0.28 3.14 0.00 -1.87 -1.58 119.26 119.96 1qxs h ALA 118 Ca 0.07 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.50 1qxs h ALA 118 Cb 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1qxs h ALA 118 CO -0.38 0.41 -0.53 0.00 0.00 0.00 0.00 179.25 178.75 1qxs h ALA 119 N 1.67 0.44 0.00 0.00 0.00 0.10 -3.06 119.26 118.41 1qxs h ALA 119 Ca -0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 54.91 54.28 1qxs h ALA 119 Cb 0.78 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1qxs h ALA 119 CO 0.04 0.64 -0.57 0.00 0.00 0.00 0.00 179.25 179.36 1qxs h ALA 120 N 0.67 0.82 0.00 0.00 0.00 -0.86 -2.92 119.26 116.97 1qxs h ALA 120 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1qxs h ALA 120 Cb 1.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1qxs h ALA 120 CO 0.12 0.71 0.00 0.39 0.00 0.00 0.00 179.25 180.47 1qxs n GLU 121 N -3.51 0.05 0.17 0.00 1.02 -0.61 -1.87 120.64 115.88 1qxs n GLU 121 Ca -0.00 0.30 0.03 0.00 -0.02 0.00 0.00 57.16 57.46 1qxs n GLU 121 Cb 0.65 -1.50 0.39 0.00 -0.02 0.00 0.00 31.44 30.97 1qxs n GLU 121 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1qxs h GLY 122 N 1.48 0.11 2.00 0.62 0.00 -1.55 -1.99 103.07 103.74 1qxs h GLY 122 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1qxs h GLY 122 CO 0.00 0.07 -0.04 0.45 0.00 0.00 0.00 176.54 177.01 1qxs h HIS 123 N 0.09 0.00 -0.39 5.60 3.86 -1.54 -2.07 115.15 120.70 1qxs h HIS 123 Ca 0.02 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.12 1qxs h HIS 123 Cb 0.49 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 1qxs h HIS 123 CO 0.00 0.04 -0.15 -0.07 0.86 0.00 0.00 177.93 178.62 1qxs h LEU 124 N 0.00 0.81 -0.52 2.43 3.38 -1.54 -1.61 115.31 118.26 1qxs h LEU 124 Ca -0.00 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 1qxs h LEU 124 Cb 0.11 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1qxs h LEU 124 CO 0.01 1.01 0.18 0.03 0.09 0.00 0.00 178.44 179.76 1qxs h ARG 125 N 0.59 0.80 0.00 1.13 3.08 -1.47 -0.71 114.38 117.81 1qxs h ARG 125 Ca 0.09 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1qxs h ARG 125 Cb 0.69 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1qxs h ARG 125 CO 0.05 0.73 0.22 0.41 -1.07 0.00 0.00 179.97 180.31 1qxs n GLY 126 N -0.72 -0.62 0.00 0.04 0.00 -0.99 -4.73 105.19 98.17 1qxs n GLY 126 Ca 0.02 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1qxs n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qxs n GLY 127 N -1.29 1.32 3.84 -0.02 0.00 -0.28 0.67 105.19 109.44 1qxs n GLY 127 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1qxs n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qxs s ALA 128 N -2.00 2.70 -0.06 4.61 0.00 -0.63 -4.46 121.76 121.92 1qxs s ALA 128 Ca 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 51.96 51.92 1qxs s ALA 128 Cb 0.00 -3.11 -0.11 0.00 0.00 0.00 0.00 23.12 19.90 1qxs s ALA 128 CO 0.00 -1.22 0.07 0.54 0.00 0.00 0.00 175.76 175.15 1qxs n ARG 129 N -3.10 2.01 -3.95 0.00 1.74 0.13 -4.27 116.66 109.21 1qxs n ARG 129 Ca 0.07 -0.02 -0.10 0.00 -0.77 0.00 0.00 57.85 57.03 1qxs n ARG 129 Cb 0.55 -1.21 -0.12 0.00 -1.02 0.00 0.00 32.46 30.66 1qxs n ARG 129 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1qxs s LYS 130 N -2.31 0.23 -0.00 5.56 -0.14 0.26 -4.81 119.74 118.53 1qxs s LYS 130 Ca -0.04 -0.44 0.03 0.00 -1.36 0.00 0.00 55.97 54.16 1qxs s LYS 130 Cb 0.03 0.07 -0.01 0.00 -1.68 0.00 0.00 37.83 36.25 1qxs s LYS 130 CO 0.34 -0.03 -0.09 0.08 -0.76 0.00 0.00 175.35 174.89 1qxs s VAL 131 N -1.05 0.67 -0.22 3.17 1.01 -0.13 -1.41 120.40 122.45 1qxs s VAL 131 Ca -0.11 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.47 1qxs s VAL 131 Cb -0.07 -0.57 0.05 0.00 0.00 0.00 0.00 36.38 35.78 1qxs s VAL 131 CO -0.01 0.16 -0.10 -0.69 0.00 0.00 0.00 175.10 174.47 1qxs s VAL 132 N -0.26 1.74 -0.18 2.92 1.01 -0.40 -1.97 120.40 123.27 1qxs s VAL 132 Ca 0.03 -1.18 -0.26 0.00 0.00 0.00 0.00 61.98 60.56 1qxs s VAL 132 Cb -0.04 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 1qxs s VAL 132 CO -0.00 0.08 0.89 -0.63 0.00 0.00 0.00 175.10 175.44 1qxs s ILE 133 N 1.33 4.83 -0.02 2.22 1.01 -0.30 -0.74 121.20 129.54 1qxs s ILE 133 Ca -0.04 1.75 -0.01 0.00 0.00 0.00 0.00 60.65 62.35 1qxs s ILE 133 Cb -0.17 -4.19 -0.02 0.00 0.01 0.00 0.00 42.46 38.08 1qxs s ILE 133 CO -0.07 -0.03 2.22 -1.54 0.00 0.00 0.00 174.94 175.52 1qxs n SER 134 N 5.50 5.39 -3.61 3.58 3.41 -0.96 -2.12 113.62 124.82 1qxs n SER 134 Ca 0.06 -2.45 -0.00 0.00 -0.26 0.00 0.00 58.87 56.22 1qxs n SER 134 Cb 0.48 -1.16 -0.01 0.00 -0.26 0.00 0.00 64.21 63.26 1qxs n SER 134 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qxs s ALA 135 N 0.04 -2.21 0.22 7.33 0.00 -1.12 -4.92 121.76 121.10 1qxs s ALA 135 Ca 0.10 1.02 -0.32 0.00 0.00 0.00 0.00 51.96 52.77 1qxs s ALA 135 Cb 0.05 0.18 -0.13 0.00 0.00 0.00 0.00 23.12 23.23 1qxs s ALA 135 CO -0.00 -0.90 1.60 -2.30 0.00 0.00 0.00 175.76 174.16 1qxs n PRO 136 N -0.36 2.47 -1.71 0.00 -0.02 -1.18 -4.25 135.00 129.95 1qxs n PRO 136 Ca -0.05 0.88 -0.06 0.00 -2.02 0.00 0.00 63.50 62.25 1qxs n PRO 136 Cb 0.61 -2.66 0.02 0.00 -0.02 0.00 0.00 33.50 31.45 1qxs n PRO 136 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qxs n ALA 137 N 3.05 0.37 -3.32 3.55 0.00 -1.26 -4.90 120.51 117.99 1qxs n ALA 137 Ca 0.14 -0.66 -0.15 0.00 0.00 0.00 0.00 53.44 52.77 1qxs n ALA 137 Cb 0.33 0.19 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 1qxs n ALA 137 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1qxs s SER 138 N -2.11 -0.34 0.00 0.00 1.04 -1.05 -4.96 113.70 106.28 1qxs s SER 138 Ca 0.18 0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.89 1qxs s SER 138 Cb -0.01 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1qxs s SER 138 CO 0.11 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.44 1qxs n GLY 139 N 1.15 1.33 2.68 7.32 0.00 -1.26 0.98 105.19 117.38 1qxs n GLY 139 Ca -0.21 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 1qxs n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qxs n GLY 140 N -0.28 1.11 3.75 -0.02 0.00 -1.26 -4.67 105.19 103.81 1qxs n GLY 140 Ca 0.00 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1qxs n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qxs s ALA 141 N -2.05 3.56 0.12 4.61 0.00 -1.26 -4.94 121.76 121.80 1qxs s ALA 141 Ca 0.00 1.23 -0.31 0.00 0.00 0.00 0.00 51.96 52.88 1qxs s ALA 141 Cb 0.00 -3.51 -0.08 0.00 0.00 0.00 0.00 23.12 19.53 1qxs s ALA 141 CO 0.00 -0.63 1.42 0.21 0.00 0.00 0.00 175.76 176.75 1qxs s LYS 142 N -0.67 4.30 -0.19 0.00 2.47 -1.24 -4.77 119.74 119.64 1qxs s LYS 142 Ca 0.55 2.12 -0.08 0.00 -1.56 0.00 0.00 55.97 57.01 1qxs s LYS 142 Cb -0.39 -3.23 -0.04 0.00 -1.46 0.00 0.00 37.83 32.70 1qxs s LYS 142 CO 0.44 -0.46 0.08 0.99 0.16 0.00 0.00 175.35 176.56 1qxs s THR 143 N 1.09 4.87 -0.05 3.43 2.01 -1.26 0.17 115.64 125.90 1qxs s THR 143 Ca 0.65 -0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.69 1qxs s THR 143 Cb -0.38 -3.21 -0.00 0.00 0.01 0.00 0.00 72.50 68.92 1qxs s THR 143 CO 0.31 0.44 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.75 1qxs s LEU 144 N 0.51 1.89 -0.19 4.42 1.43 0.88 -4.80 118.68 122.81 1qxs s LEU 144 Ca 0.04 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1qxs s LEU 144 Cb -0.12 -0.96 0.04 0.00 0.03 0.00 0.00 46.19 45.17 1qxs s LEU 144 CO 0.01 0.14 -0.11 -0.69 0.23 0.00 0.00 176.35 175.93 1qxs s VAL 145 N 0.14 1.63 0.08 -1.59 1.01 -1.26 -4.24 120.40 116.16 1qxs s VAL 145 Ca -0.06 -0.96 -0.36 0.00 0.00 0.00 0.00 61.98 60.60 1qxs s VAL 145 Cb -0.12 -1.68 -0.15 0.00 0.00 0.00 0.00 36.38 34.42 1qxs s VAL 145 CO 0.03 0.20 1.50 0.23 0.00 0.00 0.00 175.10 177.06 1qxs n MET 146 N 4.70 1.64 -0.89 2.72 2.81 -1.26 -1.22 117.12 125.62 1qxs n MET 146 Ca -0.15 0.59 0.00 0.00 -1.81 0.00 0.00 57.70 56.34 1qxs n MET 146 Cb 0.47 -2.31 0.00 0.00 -0.71 0.00 0.00 33.22 30.67 1qxs n MET 146 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qxs n GLY 147 N 3.13 0.64 0.87 3.03 0.00 -1.26 -4.82 105.19 106.77 1qxs n GLY 147 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1qxs n GLY 147 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1qxs n VAL 148 N -2.71 0.00 -1.93 1.61 0.31 -0.36 -4.93 118.33 110.33 1qxs n VAL 148 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1qxs n VAL 148 Cb 0.00 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.40 1qxs n VAL 148 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1qxs n ASN 149 N -2.29 0.00 0.23 4.52 6.94 -0.62 -4.93 115.26 119.11 1qxs n ASN 149 Ca 0.00 -1.08 0.16 0.00 -0.02 0.00 0.00 54.58 53.63 1qxs n ASN 149 Cb 0.18 -0.02 0.81 0.00 -2.36 0.00 0.00 39.78 38.39 1qxs n ASN 149 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 1qxs h HIS 150 N 0.00 0.00 0.00 -2.53 2.07 -1.91 -0.73 115.15 112.05 1qxs h HIS 150 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1qxs h HIS 150 Cb 1.03 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.01 1qxs h HIS 150 CO -0.12 0.00 0.00 0.72 -3.07 0.00 0.00 177.93 175.46 1qxs n HIS 151 N -2.59 0.92 0.51 6.12 8.25 -1.26 -2.23 115.22 124.94 1qxs n HIS 151 Ca -0.02 0.30 0.11 0.00 -0.26 0.00 0.00 57.72 57.86 1qxs n HIS 151 Cb 0.08 -0.99 0.45 0.00 1.12 0.00 0.00 29.99 30.64 1qxs n HIS 151 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1qxs n GLU 152 N -2.29 0.16 -1.58 -0.41 1.02 -0.28 -4.79 120.64 112.47 1qxs n GLU 152 Ca 0.04 0.32 -0.49 0.00 -0.02 0.00 0.00 57.16 57.01 1qxs n GLU 152 Cb 0.35 -1.76 -0.04 0.00 -0.02 0.00 0.00 31.44 29.97 1qxs n GLU 152 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1qxs n TYR 153 N -2.05 1.36 -3.93 -0.32 9.36 -0.95 -4.95 117.16 115.68 1qxs n TYR 153 Ca 0.03 0.66 -0.30 0.00 3.32 0.00 0.00 57.90 61.61 1qxs n TYR 153 Cb 0.27 -2.29 -0.16 0.00 -0.63 0.00 0.00 39.34 36.53 1qxs n TYR 153 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1qxs s ASN 154 N 0.05 3.87 0.39 2.98 2.47 -1.26 -5.02 114.94 118.42 1qxs s ASN 154 Ca 0.74 -1.23 0.21 0.00 0.42 0.00 0.00 52.86 53.00 1qxs s ASN 154 Cb -0.85 -1.17 1.21 0.00 -1.45 0.00 0.00 41.25 38.99 1qxs s ASN 154 CO 0.52 -0.25 1.69 -0.65 -3.72 0.00 0.00 177.10 174.68 1qxs h PRO 155 N 7.95 0.26 0.00 0.43 0.11 -1.83 0.17 132.00 139.09 1qxs h PRO 155 Ca -0.17 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1qxs h PRO 155 Cb 1.07 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1qxs h PRO 155 CO 0.42 0.17 -0.93 -1.13 -0.21 0.00 0.00 178.00 176.32 1qxs n SER 156 N -4.79 0.65 -0.08 -2.05 3.41 -1.26 -4.49 113.62 105.01 1qxs n SER 156 Ca 0.31 -0.34 -0.11 0.00 -0.26 0.00 0.00 58.87 58.47 1qxs n SER 156 Cb 1.10 0.73 -0.07 0.00 -0.26 0.00 0.00 64.21 65.71 1qxs n SER 156 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qxs n GLU 157 N -1.80 0.42 -3.21 4.33 4.71 -0.73 -4.93 120.64 119.44 1qxs n GLU 157 Ca 0.03 0.09 -0.44 0.00 -0.01 0.00 0.00 57.16 56.83 1qxs n GLU 157 Cb 0.40 -1.31 -0.06 0.00 -1.01 0.00 0.00 31.44 29.46 1qxs n GLU 157 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 1qxs s HIS 158 N -2.31 3.09 -0.02 -0.32 3.76 0.51 -4.83 115.29 115.17 1qxs s HIS 158 Ca -0.21 -0.73 0.08 0.00 -0.15 0.00 0.00 55.06 54.05 1qxs s HIS 158 Cb 0.05 -3.56 -0.13 0.00 1.11 0.00 0.00 32.58 30.06 1qxs s HIS 158 CO 0.36 -1.03 0.17 0.72 -0.85 0.00 0.00 174.74 174.11 1qxs n HIS 159 N 5.95 0.00 -3.79 1.40 8.25 -1.26 -4.69 115.22 121.08 1qxs n HIS 159 Ca -0.09 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.09 1qxs n HIS 159 Cb 0.44 -0.21 -0.16 0.00 1.12 0.00 0.00 29.99 31.18 1qxs n HIS 159 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1qxs s VAL 160 N -2.55 0.86 0.18 1.59 1.01 -1.26 -0.95 120.40 119.28 1qxs s VAL 160 Ca -0.03 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.12 1qxs s VAL 160 Cb 0.05 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 1qxs s VAL 160 CO 0.35 -0.25 -0.08 0.68 0.00 0.00 0.00 175.10 175.80 1qxs s VAL 161 N 1.69 1.18 -0.07 2.92 -7.23 -0.83 -3.69 120.40 114.37 1qxs s VAL 161 Ca -0.01 -2.07 0.02 0.00 -1.81 0.00 0.00 61.98 58.12 1qxs s VAL 161 Cb -0.18 -2.02 -0.03 0.00 0.56 0.00 0.00 36.38 34.72 1qxs s VAL 161 CO -0.10 -0.61 -0.12 -0.55 -0.31 0.00 0.00 175.10 173.42 1qxs s SER 162 N -3.22 4.21 0.00 4.85 0.15 0.13 -1.14 113.70 118.67 1qxs s SER 162 Ca 0.21 -0.17 0.23 0.00 0.70 0.00 0.00 55.95 56.93 1qxs s SER 162 Cb 0.03 -1.07 1.03 0.00 -1.71 0.00 0.00 66.02 64.31 1qxs s SER 162 CO 0.04 0.32 1.71 -3.20 1.20 0.00 0.00 173.24 173.31 1qxs n ASN 163 N 2.49 1.08 0.00 5.45 5.15 -0.90 -0.08 115.26 128.44 1qxs n ASN 163 Ca -0.17 -1.51 0.00 0.00 -0.60 0.00 0.00 54.58 52.29 1qxs n ASN 163 Cb 0.52 -0.05 0.00 0.00 -0.53 0.00 0.00 39.78 39.73 1qxs n ASN 163 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1qxs n ALA 164 N -0.11 0.00 -2.54 5.20 0.00 -1.26 -4.72 120.51 117.09 1qxs n ALA 164 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.37 1qxs n ALA 164 Cb 0.25 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.62 1qxs n ALA 164 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1qxs s SER 165 N -4.00 4.11 0.22 0.00 1.04 -1.26 -2.78 113.70 111.03 1qxs s SER 165 Ca 0.00 -0.97 -0.08 0.00 0.48 0.00 0.00 55.95 55.37 1qxs s SER 165 Cb 0.00 -0.53 0.26 0.00 0.10 0.00 0.00 66.02 65.85 1qxs s SER 165 CO 0.00 -0.17 1.83 0.00 0.98 0.00 0.00 173.24 175.88 1qxs h THR 167 N 0.80 1.28 -0.51 0.00 2.02 -1.96 -2.77 112.91 111.76 1qxs h THR 167 Ca 0.32 -1.67 -0.02 0.00 0.77 0.00 0.00 66.41 65.81 1qxs h THR 167 Cb 0.15 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 1qxs h THR 167 CO -0.17 0.55 0.25 0.74 0.37 0.00 0.00 175.52 177.26 1qxs h THR 168 N 0.67 1.20 0.00 3.16 2.02 -1.68 -0.33 112.91 117.95 1qxs h THR 168 Ca 0.03 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1qxs h THR 168 Cb 1.08 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1qxs h THR 168 CO 0.11 0.22 0.00 0.59 0.37 0.00 0.00 175.52 176.81 1qxs n ASN 169 N -4.59 0.00 -0.11 4.18 3.02 -0.13 -0.38 115.26 117.25 1qxs n ASN 169 Ca 0.02 0.15 -0.14 0.00 -0.03 0.00 0.00 54.58 54.58 1qxs n ASN 169 Cb 0.12 -0.31 -0.12 0.00 -0.61 0.00 0.00 39.78 38.86 1qxs n ASN 169 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qxs h LEU 171 N 0.00 -0.02 -0.99 0.00 6.46 -0.81 -3.38 115.31 116.57 1qxs h LEU 171 Ca -0.50 -0.71 0.16 0.00 -0.12 0.00 0.00 57.88 56.71 1qxs h LEU 171 Cb 1.88 0.01 -0.16 0.00 -0.73 0.00 0.00 40.66 41.65 1qxs h LEU 171 CO -0.05 0.80 -0.37 0.00 -0.62 0.00 0.00 178.44 178.20 1qxs h ALA 172 N -0.18 0.21 -0.15 1.25 0.00 -0.94 0.25 119.26 119.70 1qxs h ALA 172 Ca -0.00 0.29 0.04 0.00 0.00 0.00 0.00 54.91 55.24 1qxs h ALA 172 Cb 0.73 0.98 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1qxs h ALA 172 CO 0.00 -0.60 0.18 -1.35 0.00 0.00 0.00 179.25 177.49 1qxs h PRO 173 N -0.00 0.00 0.03 0.00 0.11 -1.79 0.28 132.00 130.63 1qxs h PRO 173 Ca 0.36 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.36 1qxs h PRO 173 Cb 0.61 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.72 1qxs h PRO 173 CO -0.99 0.00 -0.55 0.82 -0.21 0.00 0.00 178.00 177.08 1qxs h ILE 174 N 0.00 1.48 -0.88 4.15 1.08 -0.71 -2.87 117.51 119.77 1qxs h ILE 174 Ca 0.07 -2.35 0.04 0.00 -0.39 0.00 0.00 64.86 62.23 1qxs h ILE 174 Cb 0.43 3.04 -0.05 0.00 -3.07 0.00 0.00 36.82 37.17 1qxs h ILE 174 CO -0.00 0.57 0.57 0.58 -0.69 0.00 0.00 178.15 179.18 1qxs h VAL 175 N -0.83 1.14 -0.41 1.67 2.07 -0.97 -0.87 116.25 118.04 1qxs h VAL 175 Ca -0.13 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.03 1qxs h VAL 175 Cb 1.25 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1qxs h VAL 175 CO -0.02 0.20 0.24 -0.74 0.02 0.00 0.00 177.57 177.28 1qxs h HIS 176 N 1.10 0.45 -0.45 1.57 -0.00 -0.57 0.40 115.15 117.66 1qxs h HIS 176 Ca 0.35 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.72 1qxs h HIS 176 Cb 0.01 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.26 1qxs h HIS 176 CO -0.02 0.26 0.23 0.28 -0.00 0.00 0.00 177.93 178.69 1qxs h VAL 177 N 0.49 1.17 -0.29 5.26 2.07 -1.20 0.43 116.25 124.18 1qxs h VAL 177 Ca 0.16 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.26 1qxs h VAL 177 Cb 0.00 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 1qxs h VAL 177 CO -0.07 0.19 -0.01 -0.07 0.02 0.00 0.00 177.57 177.62 1qxs h LEU 178 N 0.58 -0.14 -0.08 2.57 3.38 -0.47 0.19 115.31 121.34 1qxs h LEU 178 Ca 0.16 0.07 -0.10 0.00 0.09 0.00 0.00 57.88 58.09 1qxs h LEU 178 Cb 0.09 0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1qxs h LEU 178 CO -0.02 -0.04 -0.35 0.58 0.09 0.00 0.00 178.44 178.70 1qxs h VAL 179 N 0.07 1.41 -0.20 1.22 2.07 -0.79 -1.16 116.25 118.87 1qxs h VAL 179 Ca 0.14 -1.73 -0.05 0.00 0.82 0.00 0.00 66.70 65.89 1qxs h VAL 179 Cb 0.19 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1qxs h VAL 179 CO -0.25 0.50 -0.08 0.50 0.02 0.00 0.00 177.57 178.27 1qxs h LYS 180 N -0.07 0.31 -0.04 1.57 3.64 -0.82 -2.08 116.57 119.08 1qxs h LYS 180 Ca -0.02 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1qxs h LYS 180 Cb 1.00 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1qxs h LYS 180 CO 0.07 0.40 0.00 0.39 -2.27 0.00 0.00 179.45 178.04 1qxs n GLU 181 N -4.29 1.20 -0.69 1.90 -0.58 0.67 -4.91 120.64 113.94 1qxs n GLU 181 Ca -0.00 -0.31 0.00 0.00 -0.42 0.00 0.00 57.16 56.43 1qxs n GLU 181 Cb 0.25 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 1qxs n GLU 181 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qxs n GLY 182 N 0.93 1.11 0.17 0.62 0.00 -0.78 -4.91 105.19 102.34 1qxs n GLY 182 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 1qxs n GLY 182 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1qxs h PHE 183 N 0.00 0.57 0.00 1.61 0.04 -1.46 -3.44 116.94 114.26 1qxs h PHE 183 Ca 0.00 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.67 1qxs h PHE 183 Cb 0.00 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.00 1qxs h PHE 183 CO 0.00 0.66 0.00 0.41 -0.60 0.00 0.00 178.31 178.78 1qxs n GLY 184 N -0.33 -1.87 2.66 -1.45 0.00 -0.87 -1.41 105.19 101.92 1qxs n GLY 184 Ca -0.03 -1.52 -0.28 0.00 0.00 0.00 0.00 46.02 44.19 1qxs n GLY 184 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qxs s VAL 185 N -2.73 0.32 -0.07 1.61 1.01 -1.26 -2.93 120.40 116.35 1qxs s VAL 185 Ca 0.00 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.19 1qxs s VAL 185 Cb 0.00 -1.05 -0.08 0.00 0.00 0.00 0.00 36.38 35.26 1qxs s VAL 185 CO 0.00 -0.44 0.41 -0.61 0.00 0.00 0.00 175.10 174.47 1qxs h GLN 186 N 8.29 -0.20 -2.96 2.72 4.15 -1.21 -3.46 115.11 122.44 1qxs h GLN 186 Ca -0.16 0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.14 1qxs h GLN 186 Cb 1.08 0.05 -0.23 0.00 0.21 0.00 0.00 27.48 28.58 1qxs h GLN 186 CO 0.38 0.01 -0.31 0.95 -1.93 0.00 0.00 178.83 177.93 1qxs s THR 187 N -2.49 0.02 -0.04 2.39 -4.23 -1.25 -4.81 115.64 105.23 1qxs s THR 187 Ca -0.06 -0.14 -0.06 0.00 -1.18 0.00 0.00 61.69 60.24 1qxs s THR 187 Cb 0.00 -0.51 0.01 0.00 1.34 0.00 0.00 72.50 73.34 1qxs s THR 187 CO 0.22 -0.08 0.16 -0.83 -0.54 0.00 0.00 174.62 173.54 1qxs s GLY 188 N -0.27 -0.06 -0.07 3.99 0.00 0.64 -1.37 107.32 110.18 1qxs s GLY 188 Ca -0.04 0.25 0.03 0.00 0.00 0.00 0.00 44.72 44.96 1qxs s GLY 188 CO 0.02 0.16 -0.17 1.08 0.00 0.00 0.00 173.10 174.18 1qxs s LEU 189 N -0.45 1.85 0.10 0.66 1.43 0.14 -2.68 118.68 119.72 1qxs s LEU 189 Ca -0.05 -0.39 0.07 0.00 -1.03 0.00 0.00 54.13 52.73 1qxs s LEU 189 Cb -0.04 -1.04 -0.03 0.00 0.03 0.00 0.00 46.19 45.11 1qxs s LEU 189 CO 0.01 0.11 -0.18 0.00 0.23 0.00 0.00 176.35 176.51 1qxs s MET 190 N 0.39 1.05 0.04 1.70 0.23 -0.72 -0.97 119.30 121.02 1qxs s MET 190 Ca -0.13 -1.14 0.05 0.00 -1.03 0.00 0.00 55.69 53.45 1qxs s MET 190 Cb -0.15 -1.20 -0.02 0.00 -1.53 0.00 0.00 34.83 31.92 1qxs s MET 190 CO 0.05 0.27 -0.16 0.99 -2.03 0.00 0.00 175.02 174.14 1qxs s THR 191 N -1.37 1.26 -0.23 3.16 2.01 -0.47 -1.43 115.64 118.57 1qxs s THR 191 Ca 0.05 -1.04 0.00 0.00 0.31 0.00 0.00 61.69 61.01 1qxs s THR 191 Cb -0.09 -1.12 0.06 0.00 0.01 0.00 0.00 72.50 71.36 1qxs s THR 191 CO 0.04 0.06 -0.03 0.28 -0.69 0.00 0.00 174.62 174.29 1qxs s THR 192 N -0.82 1.31 -0.60 -0.82 -1.32 -0.70 -0.27 115.64 112.41 1qxs s THR 192 Ca 0.03 -1.12 -0.27 0.00 -1.21 0.00 0.00 61.69 59.13 1qxs s THR 192 Cb -0.08 -1.65 -0.01 0.00 -1.51 0.00 0.00 72.50 69.25 1qxs s THR 192 CO 0.01 -0.16 1.70 -0.63 -2.21 0.00 0.00 174.62 173.33 1qxs s ILE 193 N 1.49 3.49 -0.12 5.08 1.09 -0.93 -1.84 121.20 129.45 1qxs s ILE 193 Ca -0.04 0.33 -0.03 0.00 -1.10 0.00 0.00 60.65 59.82 1qxs s ILE 193 Cb -0.18 -4.15 -0.03 0.00 -1.06 0.00 0.00 42.46 37.04 1qxs s ILE 193 CO -0.07 -1.06 -0.03 -2.28 -0.10 0.00 0.00 174.94 171.40 1qxs s HIS 194 N 7.91 3.05 0.37 3.97 2.46 -0.51 -2.37 115.29 130.18 1qxs s HIS 194 Ca 0.61 -0.09 -0.26 0.00 0.47 0.00 0.00 55.06 55.79 1qxs s HIS 194 Cb -0.12 -1.87 -0.09 0.00 -0.13 0.00 0.00 32.58 30.36 1qxs s HIS 194 CO 0.21 0.17 1.14 -1.54 -2.47 0.00 0.00 174.74 172.26 1qxs s SER 195 N -0.18 6.75 0.72 9.88 1.04 -1.24 -0.01 113.70 130.66 1qxs s SER 195 Ca 0.04 2.29 -0.16 0.00 0.48 0.00 0.00 55.95 58.60 1qxs s SER 195 Cb -0.13 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.38 1qxs s SER 195 CO 0.02 -0.51 0.95 0.00 0.98 0.00 0.00 173.24 174.68 1qxs n TYR 196 N 0.34 0.62 -4.55 5.02 0.18 -0.92 -4.82 117.16 113.04 1qxs n TYR 196 Ca 0.03 0.39 -0.25 0.00 1.88 0.00 0.00 57.90 59.95 1qxs n TYR 196 Cb 0.46 -2.08 -0.06 0.00 -0.38 0.00 0.00 39.34 37.29 1qxs n TYR 196 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1qxs n THR 197 N -2.47 0.00 0.24 -3.48 -2.24 -1.26 -4.68 114.28 100.38 1qxs n THR 197 Ca 0.13 -2.07 0.18 0.00 -2.27 0.00 0.00 64.05 60.01 1qxs n THR 197 Cb 0.49 0.58 0.88 0.00 -2.10 0.00 0.00 70.33 70.18 1qxs n THR 197 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qxs h ALA 198 N 1.41 1.66 0.00 6.98 0.00 -1.97 -1.78 119.26 125.55 1qxs h ALA 198 Ca -0.32 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 1qxs h ALA 198 Cb 1.08 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1qxs h ALA 198 CO 0.52 -0.25 -0.44 1.79 0.00 0.00 0.00 179.25 180.87 1qxs h THR 199 N 0.00 1.07 -4.17 0.00 1.35 -1.98 -3.45 112.91 105.72 1qxs h THR 199 Ca 0.06 -1.68 -0.45 0.00 -0.55 0.00 0.00 66.41 63.80 1qxs h THR 199 Cb 0.43 1.97 0.14 0.00 -1.73 0.00 0.00 68.15 68.96 1qxs h THR 199 CO -0.00 0.44 0.33 -1.10 -0.25 0.00 0.00 175.52 174.93 1qxs s GLN 200 N -3.65 0.90 0.24 4.72 -0.21 -0.67 -4.97 119.66 116.02 1qxs s GLN 200 Ca -0.01 0.07 0.12 0.00 0.02 0.00 0.00 55.36 55.56 1qxs s GLN 200 Cb 0.12 -1.83 -0.05 0.00 1.00 0.00 0.00 33.01 32.25 1qxs s GLN 200 CO 0.71 -2.32 -0.20 0.15 -2.12 0.00 0.00 175.29 171.51 1qxs s LYS 201 N -5.47 1.67 0.06 2.91 3.01 -1.26 -4.97 119.74 115.68 1qxs s LYS 201 Ca 0.66 -1.64 -0.17 0.00 -1.01 0.00 0.00 55.97 53.82 1qxs s LYS 201 Cb -0.11 -1.84 -0.15 0.00 -1.01 0.00 0.00 37.83 34.72 1qxs s LYS 201 CO 0.53 0.36 1.29 1.79 0.51 0.00 0.00 175.35 179.83 1qxs h THR 202 N 2.63 1.35 -3.26 2.17 1.35 -1.91 0.12 112.91 115.36 1qxs h THR 202 Ca -0.43 -1.68 -0.38 0.00 -0.55 0.00 0.00 66.41 63.38 1qxs h THR 202 Cb 1.24 2.01 -0.14 0.00 -1.73 0.00 0.00 68.15 69.52 1qxs h THR 202 CO 0.55 0.51 -0.68 0.68 -0.25 0.00 0.00 175.52 176.33 1qxs s VAL 203 N -3.91 1.17 -0.28 6.82 -7.23 -1.26 -4.04 120.40 111.65 1qxs s VAL 203 Ca -0.13 -2.06 -0.38 0.00 -1.81 0.00 0.00 61.98 57.60 1qxs s VAL 203 Cb 0.06 -2.18 -0.14 0.00 0.56 0.00 0.00 36.38 34.68 1qxs s VAL 203 CO 0.82 -0.47 1.91 0.47 -0.31 0.00 0.00 175.10 177.52 1qxs n ASP 204 N -0.36 2.40 -4.06 4.85 8.00 -1.26 -4.20 116.55 121.92 1qxs n ASP 204 Ca -0.07 0.86 -0.12 0.00 0.71 0.00 0.00 54.79 56.17 1qxs n ASP 204 Cb 0.63 -1.19 -0.08 0.00 -0.02 0.00 0.00 41.12 40.45 1qxs n ASP 204 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1qxs s GLY 205 N 4.79 1.26 0.15 0.44 0.00 0.56 -4.93 107.32 109.59 1qxs s GLY 205 Ca 1.02 -1.50 -0.31 0.00 0.00 0.00 0.00 44.72 43.92 1qxs s GLY 205 CO 0.59 -1.19 1.59 0.14 0.00 0.00 0.00 173.10 174.23 1qxs s VAL 206 N -4.04 2.70 -0.49 1.40 1.01 -1.26 -4.51 120.40 115.20 1qxs s VAL 206 Ca 0.35 0.45 0.06 0.00 0.00 0.00 0.00 61.98 62.84 1qxs s VAL 206 Cb 0.04 -3.29 0.20 0.00 0.00 0.00 0.00 36.38 33.33 1qxs s VAL 206 CO 0.12 0.03 0.69 -0.24 0.00 0.00 0.00 175.10 175.71 1qxs n SER 207 N 4.29 -2.83 0.33 3.32 2.88 -1.26 -4.95 113.62 115.40 1qxs n SER 207 Ca 0.14 -2.90 0.21 0.00 -1.33 0.00 0.00 58.87 54.99 1qxs n SER 207 Cb 0.39 1.36 1.13 0.00 -0.75 0.00 0.00 64.21 66.34 1qxs n SER 207 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 1qxs h VAL 208 N 4.52 0.16 -0.01 2.46 -1.51 -1.96 -2.10 116.25 117.81 1qxs h VAL 208 Ca 0.06 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.51 1qxs h VAL 208 Cb 1.06 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 1qxs h VAL 208 CO 0.13 0.00 -0.17 0.29 -1.23 0.00 0.00 177.57 176.59 1qxs n LYS 209 N -3.31 0.94 -2.93 5.19 4.76 -1.26 -4.65 118.16 116.90 1qxs n LYS 209 Ca -0.03 -0.49 0.01 0.00 -2.87 0.00 0.00 58.31 54.93 1qxs n LYS 209 Cb 0.08 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 1qxs n LYS 209 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1qxs s ASP 210 N -2.40 -0.82 0.16 4.39 -1.08 -0.79 -5.06 116.67 111.07 1qxs s ASP 210 Ca 0.28 -0.46 -0.17 0.00 -0.52 0.00 0.00 52.55 51.68 1qxs s ASP 210 Cb 0.20 1.05 0.09 0.00 -1.46 0.00 0.00 42.92 42.79 1qxs s ASP 210 CO 0.48 -0.08 1.67 -0.50 0.52 0.00 0.00 175.17 177.25 1qxs h TRP 211 N 5.93 -0.21 -0.41 -5.34 4.06 -1.81 -1.52 115.95 116.66 1qxs h TRP 211 Ca 0.00 0.04 -0.01 0.00 2.06 0.00 0.00 58.89 60.98 1qxs h TRP 211 Cb 1.21 0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 29.50 1qxs h TRP 211 CO -0.00 -0.17 0.21 0.00 -3.56 0.00 0.00 178.44 174.92 1qxs h ARG 212 N -0.00 0.55 0.00 0.49 3.08 -1.89 -2.46 114.38 114.14 1qxs h ARG 212 Ca 0.19 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1qxs h ARG 212 Cb 0.29 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1qxs h ARG 212 CO -0.40 0.42 0.00 0.41 -1.07 0.00 0.00 179.97 179.32 1qxs n GLY 213 N -1.32 -0.87 0.10 0.04 0.00 -0.58 -2.54 105.19 100.02 1qxs n GLY 213 Ca 0.03 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.12 1qxs n GLY 213 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qxs n GLY 214 N -0.16 -0.95 3.80 -0.02 0.00 -0.93 -4.05 105.19 102.88 1qxs n GLY 214 Ca 0.04 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 1qxs n GLY 214 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qxs s ARG 215 N -2.84 3.83 -0.51 1.61 1.81 -1.05 -0.32 118.95 121.47 1qxs s ARG 215 Ca 0.14 1.35 -0.41 0.00 -1.72 0.00 0.00 55.73 55.08 1qxs s ARG 215 Cb 0.18 -2.10 -0.18 0.00 -0.45 0.00 0.00 34.95 32.40 1qxs s ARG 215 CO 0.68 -0.41 2.19 0.00 -0.68 0.00 0.00 175.30 177.09 1qxs n ALA 216 N -0.95 0.38 -0.00 2.13 0.00 -1.26 -4.46 120.51 116.35 1qxs n ALA 216 Ca 0.09 0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.51 1qxs n ALA 216 Cb 0.53 -2.18 -0.08 0.00 0.00 0.00 0.00 19.45 17.71 1qxs n ALA 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qxs h ALA 217 N 9.90 0.05 0.00 0.00 0.00 -0.89 -3.22 119.26 125.09 1qxs h ALA 217 Ca -0.13 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1qxs h ALA 217 Cb 1.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1qxs h ALA 217 CO 1.10 -0.32 0.00 0.00 0.00 0.00 0.00 179.25 180.03 1qxs n ALA 218 N -2.23 2.19 -2.19 0.00 0.00 -1.26 -2.89 120.51 114.13 1qxs n ALA 218 Ca -0.07 -0.07 0.03 0.00 0.00 0.00 0.00 53.44 53.33 1qxs n ALA 218 Cb 0.15 -1.18 0.04 0.00 0.00 0.00 0.00 19.45 18.46 1qxs n ALA 218 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1qxs n VAL 219 N -0.77 0.33 -3.75 0.00 0.24 -1.22 -4.80 118.33 108.36 1qxs n VAL 219 Ca 0.08 -1.01 -0.12 0.00 -2.04 0.00 0.00 64.34 61.26 1qxs n VAL 219 Cb 0.04 0.66 -0.07 0.00 -1.47 0.00 0.00 33.84 32.99 1qxs n VAL 219 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1qxs s ASN 220 N -1.88 -0.15 -0.43 -1.34 0.01 -1.14 -5.03 114.94 104.97 1qxs s ASN 220 Ca 0.24 -0.14 -0.10 0.00 -0.71 0.00 0.00 52.86 52.16 1qxs s ASN 220 Cb 0.27 0.36 0.08 0.00 0.41 0.00 0.00 41.25 42.37 1qxs s ASN 220 CO -0.10 -0.60 0.29 -0.63 -1.51 0.00 0.00 177.10 174.55 1qxs s ILE 221 N -2.38 4.38 -0.33 0.60 1.01 -1.26 -3.89 121.20 119.33 1qxs s ILE 221 Ca -0.06 -1.39 -0.10 0.00 0.00 0.00 0.00 60.65 59.10 1qxs s ILE 221 Cb -0.01 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.77 1qxs s ILE 221 CO -0.02 -0.55 0.17 -0.63 0.00 0.00 0.00 174.94 173.91 1qxs s ILE 222 N 1.45 4.61 0.60 2.92 1.01 0.16 -4.91 121.20 127.04 1qxs s ILE 222 Ca 0.03 -0.56 -0.15 0.00 0.00 0.00 0.00 60.65 59.97 1qxs s ILE 222 Cb -0.24 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 1qxs s ILE 222 CO 0.02 -0.03 1.06 -2.84 0.00 0.00 0.00 174.94 173.15 1qxs s PRO 223 N 1.60 3.25 -0.21 2.79 0.02 -1.26 0.28 135.00 141.46 1qxs s PRO 223 Ca 0.04 1.21 -0.27 0.00 0.02 0.00 0.00 61.00 62.00 1qxs s PRO 223 Cb -0.18 -2.02 0.08 0.00 0.02 0.00 0.00 34.50 32.40 1qxs s PRO 223 CO 0.06 -0.87 0.79 0.45 -0.33 0.00 0.00 177.00 177.11 1qxs s SER 224 N -2.82 -0.64 0.55 2.53 0.15 0.16 -4.77 113.70 108.85 1qxs s SER 224 Ca 0.64 1.08 -0.15 0.00 0.70 0.00 0.00 55.95 58.22 1qxs s SER 224 Cb -0.16 1.04 -0.06 0.00 -1.71 0.00 0.00 66.02 65.12 1qxs s SER 224 CO 0.38 -0.33 1.00 0.42 1.20 0.00 0.00 173.24 175.92 1qxs s THR 225 N -0.15 4.47 0.02 6.45 -4.23 -1.26 -0.11 115.64 120.82 1qxs s THR 225 Ca -0.02 1.10 -0.04 0.00 -1.18 0.00 0.00 61.69 61.54 1qxs s THR 225 Cb -0.03 -3.70 -0.01 0.00 1.34 0.00 0.00 72.50 70.09 1qxs s THR 225 CO 0.02 -0.76 0.07 0.28 -0.54 0.00 0.00 174.62 173.68 1qxs s THR 226 N -2.73 0.10 -1.73 3.99 -1.32 -1.19 -4.77 115.64 108.00 1qxs s THR 226 Ca 0.59 -0.86 0.18 0.00 -1.21 0.00 0.00 61.69 60.39 1qxs s THR 226 Cb -0.11 -0.46 0.40 0.00 -1.51 0.00 0.00 72.50 70.82 1qxs s THR 226 CO 0.37 -0.47 1.32 0.61 -2.21 0.00 0.00 174.62 174.24 1qxs n GLY 227 N 1.37 2.00 0.26 6.08 0.00 -1.26 -4.48 105.19 109.16 1qxs n GLY 227 Ca -0.22 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 1qxs n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qxs h ALA 228 N 3.39 -0.39 0.00 4.61 0.00 -1.96 0.10 119.26 125.02 1qxs h ALA 228 Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1qxs h ALA 228 Cb 0.85 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1qxs h ALA 228 CO 0.00 -0.76 -0.30 0.00 0.00 0.00 0.00 179.25 178.19 1qxs h ALA 229 N 0.35 1.51 0.00 0.00 0.00 -1.88 -1.85 119.26 117.38 1qxs h ALA 229 Ca 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1qxs h ALA 229 Cb 0.45 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1qxs h ALA 229 CO -0.13 0.37 0.00 -0.22 0.00 0.00 0.00 179.25 179.27 1qxs h LYS 230 N 0.00 0.00 0.00 0.00 3.64 -1.63 -2.98 116.57 115.60 1qxs h LYS 230 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1qxs h LYS 230 Cb 0.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1qxs h LYS 230 CO 0.04 0.00 -0.17 0.00 -2.27 0.00 0.00 179.45 177.05 1qxs n ALA 231 N -2.08 2.48 -0.14 5.00 0.00 0.33 -3.13 120.51 122.96 1qxs n ALA 231 Ca 0.04 -0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.41 1qxs n ALA 231 Cb 0.51 -1.39 0.32 0.00 0.00 0.00 0.00 19.45 18.89 1qxs n ALA 231 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1qxs h VAL 232 N 0.00 1.14 -0.90 0.00 2.07 -1.33 -1.93 116.25 115.31 1qxs h VAL 232 Ca 0.00 -0.28 0.07 0.00 0.82 0.00 0.00 66.70 67.31 1qxs h VAL 232 Cb 0.72 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 1qxs h VAL 232 CO 0.00 0.15 0.59 1.23 0.02 0.00 0.00 177.57 179.56 1qxs h GLY 233 N 0.83 1.31 1.11 2.17 0.00 -1.72 0.44 103.07 107.21 1qxs h GLY 233 Ca 0.24 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 47.17 1qxs h GLY 233 CO -0.06 0.28 0.60 -0.33 0.00 0.00 0.00 176.54 177.04 1qxs h MET 234 N 1.00 1.20 0.00 4.80 2.86 -1.54 -0.93 114.93 122.33 1qxs h MET 234 Ca 0.39 -0.07 -0.17 0.00 -2.06 0.00 0.00 59.70 57.79 1qxs h MET 234 Cb 0.23 -0.27 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 1qxs h MET 234 CO -0.15 0.79 -1.23 0.28 1.06 0.00 0.00 176.91 177.66 1qxs h VAL 235 N 1.23 0.71 -2.06 -2.22 2.07 -1.26 -3.40 116.25 111.32 1qxs h VAL 235 Ca 0.33 -2.24 -0.57 0.00 0.82 0.00 0.00 66.70 65.04 1qxs h VAL 235 Cb -0.14 2.22 -0.40 0.00 -1.52 0.00 0.00 31.29 31.45 1qxs h VAL 235 CO -0.07 0.40 -0.94 -0.38 0.02 0.00 0.00 177.57 176.60 1qxs n ILE 236 N -3.01 0.32 -0.48 4.57 5.41 0.14 -4.78 119.36 121.53 1qxs n ILE 236 Ca -0.07 -4.42 0.36 0.00 1.00 0.00 0.00 62.75 59.62 1qxs n ILE 236 Cb 0.85 -1.99 0.56 0.00 -0.71 0.00 0.00 39.64 38.36 1qxs n ILE 236 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1qxs n PRO 237 N 1.21 -0.00 0.27 0.38 -0.02 -0.37 0.17 135.00 136.63 1qxs n PRO 237 Ca 0.24 0.76 0.14 0.00 -2.02 0.00 0.00 63.50 62.62 1qxs n PRO 237 Cb 0.49 -1.73 0.71 0.00 -0.02 0.00 0.00 33.50 32.96 1qxs n PRO 237 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1qxs h SER 238 N 0.00 0.00 -0.71 2.55 4.64 -1.94 -2.52 113.55 115.56 1qxs h SER 238 Ca 0.65 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.65 1qxs h SER 238 Cb 2.57 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 64.47 1qxs h SER 238 CO -0.03 0.11 0.32 0.35 -0.87 0.00 0.00 176.83 176.71 1qxs n THR 239 N -3.42 2.91 -2.46 2.95 -2.24 0.13 -4.95 114.28 107.19 1qxs n THR 239 Ca -0.01 -2.08 -0.42 0.00 -2.27 0.00 0.00 64.05 59.26 1qxs n THR 239 Cb 0.27 -0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 68.09 1qxs n THR 239 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1qxs s GLN 240 N -3.19 4.35 0.00 -0.78 2.00 -0.95 -3.00 119.66 118.09 1qxs s GLN 240 Ca 0.52 1.67 0.00 0.00 -2.00 0.00 0.00 55.36 55.55 1qxs s GLN 240 Cb 0.44 -3.55 0.00 0.00 0.80 0.00 0.00 33.01 30.70 1qxs s GLN 240 CO 0.08 -0.44 0.00 0.41 -0.50 0.00 0.00 175.29 174.84 1qxs n GLY 241 N 3.36 0.44 0.00 2.59 0.00 -1.26 -4.87 105.19 105.45 1qxs n GLY 241 Ca 0.11 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.20 1qxs n GLY 241 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qxs n LYS 242 N -2.27 1.86 -4.25 1.61 5.02 -1.16 -5.02 118.16 113.95 1qxs n LYS 242 Ca 0.00 -0.03 -0.14 0.00 -2.02 0.00 0.00 58.31 56.12 1qxs n LYS 242 Cb 0.08 -1.22 -0.10 0.00 -0.02 0.00 0.00 35.03 33.78 1qxs n LYS 242 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1qxs s LEU 243 N -2.97 2.50 -0.01 -0.35 1.43 -1.26 -0.26 118.68 117.76 1qxs s LEU 243 Ca 0.03 -1.03 -0.30 0.00 -1.03 0.00 0.00 54.13 51.80 1qxs s LEU 243 Cb 0.11 -0.33 0.11 0.00 0.03 0.00 0.00 46.19 46.11 1qxs s LEU 243 CO 0.60 -0.35 1.18 0.28 0.23 0.00 0.00 176.35 178.29 1qxs s THR 244 N -3.35 0.00 0.00 5.49 -1.32 -1.09 -4.20 115.64 111.17 1qxs s THR 244 Ca 0.17 -0.26 0.00 0.00 -1.21 0.00 0.00 61.69 60.40 1qxs s THR 244 Cb 0.03 -1.76 0.00 0.00 -1.51 0.00 0.00 72.50 69.26 1qxs s THR 244 CO 0.01 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 1qxs n GLY 245 N -0.40 0.39 2.69 6.08 0.00 -1.26 -1.75 105.19 110.94 1qxs n GLY 245 Ca -0.06 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 1qxs n GLY 245 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1qxs n MET 246 N -0.03 1.05 -3.85 1.61 0.00 -0.51 -3.19 117.12 112.20 1qxs n MET 246 Ca 0.00 -2.67 -0.12 0.00 0.00 0.00 0.00 57.70 54.91 1qxs n MET 246 Cb 0.00 0.62 -0.13 0.00 0.00 0.00 0.00 33.22 33.70 1qxs n MET 246 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1qxs s SER 247 N -3.12 -0.06 -0.40 3.17 0.15 0.84 -1.73 113.70 112.55 1qxs s SER 247 Ca 0.05 0.13 -0.00 0.00 0.70 0.00 0.00 55.95 56.83 1qxs s SER 247 Cb -0.00 0.12 0.11 0.00 -1.71 0.00 0.00 66.02 64.54 1qxs s SER 247 CO 0.03 -0.03 0.17 -0.36 1.20 0.00 0.00 173.24 174.25 1qxs s PHE 248 N 0.08 3.63 -0.05 3.44 0.08 -0.77 0.39 117.98 124.78 1qxs s PHE 248 Ca -0.00 -2.68 -0.30 0.00 0.12 0.00 0.00 56.93 54.07 1qxs s PHE 248 Cb -0.01 -3.10 -0.05 0.00 -0.57 0.00 0.00 43.02 39.29 1qxs s PHE 248 CO -0.00 -0.95 1.48 1.03 -0.10 0.00 0.00 175.22 176.68 1qxs s ARG 249 N 0.92 4.23 0.34 0.44 1.81 0.14 -1.42 118.95 125.41 1qxs s ARG 249 Ca 0.10 2.00 0.09 0.00 -1.72 0.00 0.00 55.73 56.20 1qxs s ARG 249 Cb -0.21 -3.77 -0.07 0.00 -0.45 0.00 0.00 34.95 30.45 1qxs s ARG 249 CO -0.05 -0.71 -0.07 0.14 -0.68 0.00 0.00 175.30 173.92 1qxs s VAL 250 N 3.27 2.08 -0.32 3.52 -7.23 0.99 0.35 120.40 123.06 1qxs s VAL 250 Ca 0.66 -2.16 -0.02 0.00 -1.81 0.00 0.00 61.98 58.64 1qxs s VAL 250 Cb -0.30 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 33.95 1qxs s VAL 250 CO 0.25 -0.19 1.48 -2.65 -0.31 0.00 0.00 175.10 173.68 1qxs n PRO 251 N -0.77 0.87 -4.13 4.82 -0.02 -1.25 -2.77 135.00 131.75 1qxs n PRO 251 Ca -0.05 -0.77 -0.16 0.00 -2.02 0.00 0.00 63.50 60.50 1qxs n PRO 251 Cb 0.64 -2.06 -0.14 0.00 -0.02 0.00 0.00 33.50 31.91 1qxs n PRO 251 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1qxs s THR 252 N 3.77 0.38 -0.12 3.45 -4.23 -1.26 -5.01 115.64 112.62 1qxs s THR 252 Ca 0.19 -0.20 0.30 0.00 -1.18 0.00 0.00 61.69 60.80 1qxs s THR 252 Cb 0.06 -0.33 0.35 0.00 1.34 0.00 0.00 72.50 73.92 1qxs s THR 252 CO -0.01 0.11 1.88 1.55 -0.54 0.00 0.00 174.62 177.61 1qxs h PRO 253 N 6.07 0.00 -1.90 3.99 0.13 -1.88 -2.43 132.00 135.98 1qxs h PRO 253 Ca -0.28 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.91 1qxs h PRO 253 Cb 1.19 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.13 1qxs h PRO 253 CO 0.50 0.00 0.46 0.34 -0.23 0.00 0.00 178.00 179.07 1qxs s ASP 254 N -5.35 -0.42 0.00 1.44 2.15 -1.26 -4.78 116.67 108.44 1qxs s ASP 254 Ca 0.03 0.32 0.00 0.00 0.43 0.00 0.00 52.55 53.33 1qxs s ASP 254 Cb 0.09 0.38 0.00 0.00 -0.30 0.00 0.00 42.92 43.09 1qxs s ASP 254 CO 0.52 -0.49 0.00 0.52 -0.17 0.00 0.00 175.17 175.55 1qxs n VAL 255 N 0.43 -0.59 -4.14 1.11 0.31 -1.26 -4.88 118.33 109.30 1qxs n VAL 255 Ca -0.11 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.12 1qxs n VAL 255 Cb 0.59 -0.23 -0.04 0.00 -0.91 0.00 0.00 33.84 33.25 1qxs n VAL 255 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1qxs n SER 256 N -0.48 -0.37 -3.67 4.52 7.64 0.88 -3.60 113.62 118.55 1qxs n SER 256 Ca 0.00 -2.11 -0.12 0.00 1.01 0.00 0.00 58.87 57.65 1qxs n SER 256 Cb 0.00 0.86 -0.08 0.00 -1.01 0.00 0.00 64.21 63.97 1qxs n SER 256 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1qxs s VAL 257 N -2.69 -0.00 -0.01 0.44 0.11 -1.00 -1.96 120.40 115.30 1qxs s VAL 257 Ca 0.20 0.01 -0.19 0.00 -2.93 0.00 0.00 61.98 59.07 1qxs s VAL 257 Cb 0.01 -0.84 -0.05 0.00 -1.53 0.00 0.00 36.38 33.96 1qxs s VAL 257 CO 0.14 0.00 0.55 -0.69 -3.33 0.00 0.00 175.10 171.78 1qxs s VAL 258 N 0.68 4.93 -0.48 2.04 1.01 0.46 -2.18 120.40 126.86 1qxs s VAL 258 Ca -0.03 1.15 0.04 0.00 0.00 0.00 0.00 61.98 63.14 1qxs s VAL 258 Cb -0.05 -3.88 0.12 0.00 0.00 0.00 0.00 36.38 32.57 1qxs s VAL 258 CO -0.05 0.45 0.22 -0.62 0.00 0.00 0.00 175.10 175.10 1qxs s ASP 259 N -0.33 4.43 -0.12 3.32 3.68 0.62 -1.07 116.67 127.21 1qxs s ASP 259 Ca 0.29 -2.83 -0.13 0.00 2.13 0.00 0.00 52.55 52.01 1qxs s ASP 259 Cb -0.18 -1.64 -0.05 0.00 -1.45 0.00 0.00 42.92 39.60 1qxs s ASP 259 CO 0.16 -0.27 0.31 -0.22 0.13 0.00 0.00 175.17 175.28 1qxs s LEU 260 N -0.04 4.32 -0.09 -1.34 2.96 0.54 -1.37 118.68 123.66 1qxs s LEU 260 Ca 0.16 0.62 0.00 0.00 -0.22 0.00 0.00 54.13 54.69 1qxs s LEU 260 Cb -0.24 -2.40 0.02 0.00 0.50 0.00 0.00 46.19 44.07 1qxs s LEU 260 CO -0.02 0.18 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.24 1qxs s THR 261 N -0.06 0.88 0.29 3.68 2.01 -0.14 0.25 115.64 122.54 1qxs s THR 261 Ca 0.18 -0.23 -0.07 0.00 0.31 0.00 0.00 61.69 61.89 1qxs s THR 261 Cb -0.14 -0.90 -0.00 0.00 0.01 0.00 0.00 72.50 71.47 1qxs s THR 261 CO 0.06 0.33 0.44 0.72 -0.69 0.00 0.00 174.62 175.49 1qxs s PHE 262 N 1.47 0.77 -0.22 4.92 -0.71 -0.64 0.23 117.98 123.80 1qxs s PHE 262 Ca -0.00 -1.07 0.01 0.00 -1.04 0.00 0.00 56.93 54.83 1qxs s PHE 262 Cb -0.13 -0.01 0.03 0.00 -1.21 0.00 0.00 43.02 41.71 1qxs s PHE 262 CO -0.05 -1.03 -0.14 0.95 -1.34 0.00 0.00 175.22 173.61 1qxs s THR 263 N -3.54 2.29 0.85 -4.49 -4.23 -0.47 -1.24 115.64 104.80 1qxs s THR 263 Ca 0.28 -1.20 -0.13 0.00 -1.18 0.00 0.00 61.69 59.46 1qxs s THR 263 Cb 0.00 -2.14 0.08 0.00 1.34 0.00 0.00 72.50 71.78 1qxs s THR 263 CO 0.15 0.27 0.99 0.00 -0.54 0.00 0.00 174.62 175.48 1qxs n ALA 264 N 4.57 -0.78 0.10 3.99 0.00 -0.83 -0.85 120.51 126.71 1qxs n ALA 264 Ca -0.18 -0.41 -0.05 0.00 0.00 0.00 0.00 53.44 52.80 1qxs n ALA 264 Cb 0.47 -2.12 0.04 0.00 0.00 0.00 0.00 19.45 17.84 1qxs n ALA 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qxs h ALA 265 N -1.17 0.68 -2.05 0.00 0.00 -1.11 -3.40 119.26 112.21 1qxs h ALA 265 Ca -0.45 -0.70 -0.47 0.00 0.00 0.00 0.00 54.91 53.29 1qxs h ALA 265 Cb 1.30 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 18.84 1qxs h ALA 265 CO 0.43 0.94 -0.63 -0.98 0.00 0.00 0.00 179.25 179.01 1qxs s ARG 266 N -3.27 1.60 0.26 0.00 1.70 -1.10 -4.99 118.95 113.15 1qxs s ARG 266 Ca -0.01 -1.86 -0.29 0.00 -0.47 0.00 0.00 55.73 53.09 1qxs s ARG 266 Cb 0.11 -0.92 -0.09 0.00 -0.57 0.00 0.00 34.95 33.48 1qxs s ARG 266 CO 0.80 -0.13 1.13 -0.51 -1.08 0.00 0.00 175.30 175.51 1qxs s ASP 267 N -3.46 7.20 0.00 -2.89 1.11 -1.26 -4.82 116.67 112.55 1qxs s ASP 267 Ca 0.34 2.28 0.00 0.00 0.18 0.00 0.00 52.55 55.36 1qxs s ASP 267 Cb 0.07 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.44 1qxs s ASP 267 CO 0.14 -0.22 0.00 0.35 1.18 0.00 0.00 175.17 176.62 1qxs n THR 268 N 1.45 0.00 -3.83 -1.27 -2.24 0.06 -5.04 114.28 103.41 1qxs n THR 268 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1qxs n THR 268 Cb 0.45 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.61 1qxs n THR 268 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qxs s SER 269 N 1.58 0.07 0.20 3.42 1.04 -1.26 -4.08 113.70 114.67 1qxs s SER 269 Ca 0.00 -0.59 -0.06 0.00 0.48 0.00 0.00 55.95 55.79 1qxs s SER 269 Cb 0.00 0.35 0.15 0.00 0.10 0.00 0.00 66.02 66.62 1qxs s SER 269 CO 0.00 -0.73 1.62 -0.29 0.98 0.00 0.00 173.24 174.82 1qxs h ILE 270 N 2.76 1.27 -0.97 -1.02 6.09 -1.93 -2.63 117.51 121.08 1qxs h ILE 270 Ca -0.34 -1.30 0.11 0.00 -1.37 0.00 0.00 64.86 61.96 1qxs h ILE 270 Cb 1.21 1.12 -0.08 0.00 0.47 0.00 0.00 36.82 39.54 1qxs h ILE 270 CO 0.54 0.44 0.60 1.56 -3.07 0.00 0.00 178.15 178.23 1qxs h GLN 271 N 0.75 0.94 -0.32 2.19 7.50 -1.96 0.13 115.11 124.33 1qxs h GLN 271 Ca 0.11 -0.06 -0.03 0.00 0.50 0.00 0.00 58.65 59.18 1qxs h GLN 271 Cb 0.71 -0.21 -0.01 0.00 0.05 0.00 0.00 27.48 28.01 1qxs h GLN 271 CO 0.05 0.62 0.10 1.49 -1.50 0.00 0.00 178.83 179.60 1qxs h GLU 272 N 0.97 0.50 -0.44 1.46 4.81 -1.89 -1.44 114.58 118.56 1qxs h GLU 272 Ca 0.48 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.55 1qxs h GLU 272 Cb 0.45 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1qxs h GLU 272 CO -0.26 0.54 0.09 0.82 -0.73 0.00 0.00 179.01 179.47 1qxs h ILE 273 N 0.37 1.24 -0.60 2.32 2.04 -0.99 -1.21 117.51 120.67 1qxs h ILE 273 Ca 0.10 -0.86 0.07 0.00 1.00 0.00 0.00 64.86 65.18 1qxs h ILE 273 Cb 0.25 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.22 1qxs h ILE 273 CO -0.00 0.30 0.28 -0.78 0.00 0.00 0.00 178.15 177.95 1qxs h ASP 274 N 0.58 0.37 0.21 1.72 3.58 -0.65 -0.26 116.42 121.97 1qxs h ASP 274 Ca 0.14 0.05 -0.12 0.00 0.42 0.00 0.00 57.03 57.52 1qxs h ASP 274 Cb 0.35 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 1qxs h ASP 274 CO 0.01 0.23 -0.45 0.00 -2.88 0.00 0.00 179.24 176.14 1qxs h ALA 275 N 1.36 1.00 -0.02 -0.78 0.00 -1.04 -2.60 119.26 117.18 1qxs h ALA 275 Ca 0.29 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1qxs h ALA 275 Cb 0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1qxs h ALA 275 CO -0.23 0.63 -0.62 0.00 0.00 0.00 0.00 179.25 179.03 1qxs h ALA 276 N 1.28 0.93 -0.00 0.00 0.00 -0.31 -2.15 119.26 119.01 1qxs h ALA 276 Ca 0.02 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1qxs h ALA 276 Cb 0.90 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1qxs h ALA 276 CO 0.07 0.76 -0.00 -0.07 0.00 0.00 0.00 179.25 180.01 1qxs h LEU 277 N 0.06 0.00 -0.79 0.00 3.38 -0.93 -2.89 115.31 114.14 1qxs h LEU 277 Ca -0.01 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 1qxs h LEU 277 Cb 1.11 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 1qxs h LEU 277 CO 0.09 0.55 0.46 0.11 0.09 0.00 0.00 178.44 179.73 1qxs h LYS 278 N -0.55 1.08 -0.64 1.13 1.57 -1.50 -1.92 116.57 115.74 1qxs h LYS 278 Ca 0.00 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1qxs h LYS 278 Cb 0.55 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1qxs h LYS 278 CO 0.00 0.78 0.37 -0.09 -0.57 0.00 0.00 179.45 179.94 1qxs h ARG 279 N 1.08 0.88 0.00 3.15 2.43 -1.43 -2.43 114.38 118.06 1qxs h ARG 279 Ca 0.28 -0.08 -0.17 0.00 -0.81 0.00 0.00 59.98 59.20 1qxs h ARG 279 Cb -0.01 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 1qxs h ARG 279 CO -0.05 0.63 -0.81 0.00 -1.51 0.00 0.00 179.97 178.23 1qxs h ALA 280 N 1.52 0.48 0.00 2.80 0.00 -1.27 -2.79 119.26 119.99 1qxs h ALA 280 Ca 0.23 -0.74 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 1qxs h ALA 280 Cb -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1qxs h ALA 280 CO -0.04 1.01 -0.19 0.66 0.00 0.00 0.00 179.25 180.69 1qxs h SER 281 N 0.00 0.00 0.37 0.00 4.64 -0.87 0.21 113.55 117.90 1qxs h SER 281 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1qxs h SER 281 Cb 1.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1qxs h SER 281 CO 0.11 0.19 -0.57 0.29 -0.87 0.00 0.00 176.83 175.97 1qxs n LYS 282 N -4.06 0.10 0.00 4.77 5.02 -1.06 -2.76 118.16 120.18 1qxs n LYS 282 Ca -0.02 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1qxs n LYS 282 Cb 0.27 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 1qxs n LYS 282 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1qxs n THR 283 N -1.39 0.00 0.36 -0.18 -2.24 -0.60 -4.79 114.28 105.43 1qxs n THR 283 Ca 0.06 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.92 1qxs n THR 283 Cb 0.34 0.00 0.38 0.00 -2.10 0.00 0.00 70.33 68.94 1qxs n THR 283 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qxs n TYR 284 N 0.00 0.40 0.43 4.78 4.11 -1.18 -2.45 117.16 123.24 1qxs n TYR 284 Ca 0.00 0.17 0.05 0.00 -0.00 0.00 0.00 57.90 58.12 1qxs n TYR 284 Cb 0.00 -0.77 0.05 0.00 -0.00 0.00 0.00 39.34 38.62 1qxs n TYR 284 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.86 175.53 1qxs n MET 285 N -1.88 0.61 -1.51 -3.48 2.81 0.64 -4.99 117.12 109.32 1qxs n MET 285 Ca 0.02 -1.18 -0.55 0.00 -1.81 0.00 0.00 57.70 54.17 1qxs n MET 285 Cb 0.16 -1.21 -0.07 0.00 -0.71 0.00 0.00 33.22 31.39 1qxs n MET 285 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1qxs n LYS 286 N 0.60 0.36 0.00 0.03 3.00 -1.02 0.26 118.16 121.39 1qxs n LYS 286 Ca 0.07 0.13 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 1qxs n LYS 286 Cb 0.28 -1.59 0.00 0.00 0.00 0.00 0.00 35.03 33.72 1qxs n LYS 286 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1qxs n GLY 287 N 1.81 2.72 0.64 3.14 0.00 -1.26 -4.74 105.19 107.49 1qxs n GLY 287 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 1qxs n GLY 287 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1qxs n ILE 288 N -2.00 1.34 -4.07 -0.61 2.08 0.14 -4.42 119.36 111.81 1qxs n ILE 288 Ca 0.00 0.28 -0.35 0.00 0.56 0.00 0.00 62.75 63.24 1qxs n ILE 288 Cb 0.00 -1.91 -0.08 0.00 -0.75 0.00 0.00 39.64 36.89 1qxs n ILE 288 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1qxs s LEU 289 N -7.38 3.95 0.00 1.39 2.96 -0.15 0.42 118.68 119.86 1qxs s LEU 289 Ca -0.13 0.24 0.04 0.00 -0.22 0.00 0.00 54.13 54.06 1qxs s LEU 289 Cb 0.02 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 1qxs s LEU 289 CO 0.19 0.32 0.15 0.61 -1.32 0.00 0.00 176.35 176.29 1qxs n GLY 290 N 2.57 3.38 3.71 7.98 0.00 0.09 -4.44 105.19 118.48 1qxs n GLY 290 Ca -0.18 -1.93 -0.11 0.00 0.00 0.00 0.00 46.02 43.80 1qxs n GLY 290 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qxs s TYR 291 N -2.77 0.43 -0.05 1.61 1.13 -1.26 -1.03 117.35 115.41 1qxs s TYR 291 Ca 0.21 -0.98 -0.31 0.00 -1.41 0.00 0.00 57.07 54.58 1qxs s TYR 291 Cb 0.01 0.56 0.07 0.00 -1.10 0.00 0.00 41.96 41.51 1qxs s TYR 291 CO 0.15 -1.46 0.69 -0.08 -2.51 0.00 0.00 175.55 172.33 1qxs s THR 292 N -2.44 0.00 -0.12 -3.49 -1.32 -0.68 -4.87 115.64 102.72 1qxs s THR 292 Ca 0.20 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.83 1qxs s THR 292 Cb -0.04 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 70.25 1qxs s THR 292 CO 0.15 0.00 1.15 -0.90 -2.21 0.00 0.00 174.62 172.81 1qxs n ASP 293 N 0.86 1.63 -4.84 8.08 5.68 -1.26 -1.43 116.55 125.28 1qxs n ASP 293 Ca -0.19 -3.05 -0.25 0.00 -0.50 0.00 0.00 54.79 50.80 1qxs n ASP 293 Cb 0.57 -0.41 -0.05 0.00 -1.14 0.00 0.00 41.12 40.10 1qxs n ASP 293 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1qxs s GLU 294 N -2.21 3.02 -1.18 0.11 2.02 -1.26 -4.76 118.70 114.45 1qxs s GLU 294 Ca 0.29 -0.85 -0.15 0.00 0.02 0.00 0.00 54.97 54.28 1qxs s GLU 294 Cb 0.28 -2.70 -0.06 0.00 0.10 0.00 0.00 34.13 31.75 1qxs s GLU 294 CO -0.03 0.47 2.20 0.39 0.02 0.00 0.00 175.26 178.32 1qxs n GLU 295 N -0.58 2.40 -2.31 1.61 -0.58 -1.26 -4.88 120.64 115.04 1qxs n GLU 295 Ca -0.08 -2.15 -0.27 0.00 -0.42 0.00 0.00 57.16 54.23 1qxs n GLU 295 Cb 0.55 -3.00 0.03 0.00 -0.57 0.00 0.00 31.44 28.46 1qxs n GLU 295 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1qxs s LEU 296 N 1.34 3.17 0.04 -4.62 1.43 -1.26 -5.10 118.68 113.68 1qxs s LEU 296 Ca 0.53 0.77 0.01 0.00 -1.03 0.00 0.00 54.13 54.41 1qxs s LEU 296 Cb 0.14 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.75 1qxs s LEU 296 CO -0.01 -1.12 -0.06 0.68 0.23 0.00 0.00 176.35 176.07 1qxs s VAL 297 N -3.05 0.40 0.01 -1.59 -7.23 -1.26 -5.03 120.40 102.65 1qxs s VAL 297 Ca 0.55 -1.06 -0.00 0.00 -1.81 0.00 0.00 61.98 59.65 1qxs s VAL 297 Cb -0.11 -0.54 0.01 0.00 0.56 0.00 0.00 36.38 36.30 1qxs s VAL 297 CO 0.46 -0.44 0.04 -1.54 -0.31 0.00 0.00 175.10 173.31 1qxs n SER 298 N 1.44 -0.01 0.14 4.85 3.41 -1.26 0.95 113.62 123.14 1qxs n SER 298 Ca -0.23 0.04 0.18 0.00 -0.26 0.00 0.00 58.87 58.61 1qxs n SER 298 Cb 0.55 -0.01 0.78 0.00 -0.26 0.00 0.00 64.21 65.27 1qxs n SER 298 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qxs h ALA 299 N 0.04 2.01 0.00 7.33 0.00 -1.97 -0.83 119.26 125.84 1qxs h ALA 299 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qxs h ALA 299 Cb 0.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1qxs h ALA 299 CO -0.02 -0.43 0.00 -0.25 0.00 0.00 0.00 179.25 178.54 1qxs n ASP 300 N -3.91 0.00 -0.67 0.00 8.00 0.27 -2.73 116.55 117.51 1qxs n ASP 300 Ca 0.04 -0.07 0.09 0.00 0.71 0.00 0.00 54.79 55.56 1qxs n ASP 300 Cb 0.44 -0.27 0.06 0.00 -0.02 0.00 0.00 41.12 41.32 1qxs n ASP 300 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1qxs n PHE 301 N -1.27 0.00 -1.70 1.24 3.01 -0.32 -4.94 117.46 113.48 1qxs n PHE 301 Ca 0.11 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.14 1qxs n PHE 301 Cb 0.18 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.62 1qxs n PHE 301 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1qxs n ILE 302 N 0.83 0.04 -1.21 4.37 5.41 -1.11 -1.76 119.36 125.94 1qxs n ILE 302 Ca 0.10 -0.01 -0.07 0.00 1.00 0.00 0.00 62.75 63.77 1qxs n ILE 302 Cb 0.44 -1.87 -0.03 0.00 -0.71 0.00 0.00 39.64 37.47 1qxs n ILE 302 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1qxs n ASN 303 N 4.00 -3.81 -4.75 4.38 4.13 -1.26 -5.02 115.26 112.93 1qxs n ASN 303 Ca 0.17 0.17 -0.39 0.00 1.68 0.00 0.00 54.58 56.20 1qxs n ASN 303 Cb 0.33 -1.92 -0.05 0.00 -1.54 0.00 0.00 39.78 36.60 1qxs n ASN 303 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1qxs s ASP 304 N -2.93 6.96 0.00 6.41 -1.08 -0.72 -4.97 116.67 120.34 1qxs s ASP 304 Ca 0.00 1.14 0.26 0.00 -0.52 0.00 0.00 52.55 53.43 1qxs s ASP 304 Cb 0.00 -2.37 0.64 0.00 -1.46 0.00 0.00 42.92 39.73 1qxs s ASP 304 CO 0.00 0.04 1.50 0.59 0.52 0.00 0.00 175.17 177.82 1qxs n ASN 305 N 3.05 0.81 -4.74 -0.34 3.02 -1.26 -3.05 115.26 112.75 1qxs n ASN 305 Ca -0.05 -0.63 -0.33 0.00 -0.03 0.00 0.00 54.58 53.54 1qxs n ASN 305 Cb 0.51 0.19 0.09 0.00 -0.61 0.00 0.00 39.78 39.96 1qxs n ASN 305 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1qxs s ARG 306 N -2.71 2.20 0.23 3.52 3.00 -1.26 -4.53 118.95 119.40 1qxs s ARG 306 Ca 0.19 1.46 0.17 0.00 0.00 0.00 0.00 55.73 57.54 1qxs s ARG 306 Cb 0.18 -1.87 0.03 0.00 0.00 0.00 0.00 34.95 33.30 1qxs s ARG 306 CO 0.60 -1.73 1.27 0.77 0.00 0.00 0.00 175.30 176.21 1qxs h SER 307 N -0.65 0.00 -3.17 0.23 0.02 -0.25 -3.40 113.55 106.34 1qxs h SER 307 Ca -0.46 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.40 1qxs h SER 307 Cb 1.26 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.54 1qxs h SER 307 CO 0.50 0.44 -0.24 -0.55 -1.14 0.00 0.00 176.83 175.84 1qxs s SER 308 N -6.18 -0.59 -0.48 3.07 0.15 -0.92 -3.86 113.70 104.89 1qxs s SER 308 Ca 0.02 1.01 0.01 0.00 0.70 0.00 0.00 55.95 57.69 1qxs s SER 308 Cb 0.08 0.90 0.13 0.00 -1.71 0.00 0.00 66.02 65.41 1qxs s SER 308 CO 0.76 -0.20 0.24 -0.63 1.20 0.00 0.00 173.24 174.60 1qxs s ILE 309 N 1.47 2.91 0.26 6.45 -1.09 0.15 -0.73 121.20 130.62 1qxs s ILE 309 Ca -0.10 -2.74 -0.31 0.00 -2.23 0.00 0.00 60.65 55.28 1qxs s ILE 309 Cb -0.08 -3.01 -0.13 0.00 -1.58 0.00 0.00 42.46 37.67 1qxs s ILE 309 CO -0.14 -0.75 1.45 0.00 -1.23 0.00 0.00 174.94 174.27 1qxs n TYR 310 N 3.78 2.36 -3.51 3.97 9.36 -0.20 0.33 117.16 133.25 1qxs n TYR 310 Ca 0.04 0.40 -0.41 0.00 3.32 0.00 0.00 57.90 61.25 1qxs n TYR 310 Cb 0.38 -2.49 -0.04 0.00 -0.63 0.00 0.00 39.34 36.55 1qxs n TYR 310 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1qxs s ASP 311 N 0.29 6.43 0.19 2.98 -1.08 -0.27 -1.68 116.67 123.54 1qxs s ASP 311 Ca 0.66 -3.42 -0.20 0.00 -0.52 0.00 0.00 52.55 49.07 1qxs s ASP 311 Cb -0.60 -2.04 0.14 0.00 -1.46 0.00 0.00 42.92 38.96 1qxs s ASP 311 CO 0.50 -0.30 1.58 -1.28 0.52 0.00 0.00 175.17 176.20 1qxs h SER 312 N 6.61 -1.16 0.09 -0.34 0.87 -1.53 -0.80 113.55 117.29 1qxs h SER 312 Ca 0.14 0.23 -0.06 0.00 -1.23 0.00 0.00 61.79 60.87 1qxs h SER 312 Cb 0.88 0.58 -0.01 0.00 -0.44 0.00 0.00 62.40 63.42 1qxs h SER 312 CO 0.87 -0.30 -0.19 0.11 -0.53 0.00 0.00 176.83 176.79 1qxs h LYS 313 N -0.14 0.21 0.00 2.24 1.79 -1.86 0.29 116.57 119.10 1qxs h LYS 313 Ca 0.25 -0.06 -0.15 0.00 -2.18 0.00 0.00 60.65 58.51 1qxs h LYS 313 Cb 0.55 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.16 1qxs h LYS 313 CO -0.70 0.41 -0.72 0.00 -1.08 0.00 0.00 179.45 177.35 1qxs h ALA 314 N 1.61 0.66 0.06 3.86 0.00 -1.74 -2.64 119.26 121.06 1qxs h ALA 314 Ca 0.04 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 1qxs h ALA 314 Cb 0.46 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1qxs h ALA 314 CO 0.03 0.90 -0.03 1.15 0.00 0.00 0.00 179.25 181.30 1qxs h THR 315 N 0.00 0.75 0.00 0.00 2.02 -0.62 -3.14 112.91 111.92 1qxs h THR 315 Ca -0.01 -1.42 -0.00 0.00 0.77 0.00 0.00 66.41 65.75 1qxs h THR 315 Cb 1.41 1.37 -0.00 0.00 -1.74 0.00 0.00 68.15 69.18 1qxs h THR 315 CO 0.09 0.24 -0.01 -0.07 0.37 0.00 0.00 175.52 176.14 1qxs h LEU 316 N -0.98 0.00 0.00 2.58 3.38 -0.55 -2.76 115.31 116.98 1qxs h LEU 316 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1qxs h LEU 316 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1qxs h LEU 316 CO 0.01 0.01 -0.99 0.00 0.09 0.00 0.00 178.44 177.57 1qxs n GLN 317 N -3.45 0.26 -1.75 1.13 6.02 -1.00 -4.54 117.38 114.05 1qxs n GLN 317 Ca -0.03 -0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.84 1qxs n GLN 317 Cb 0.11 -1.59 0.07 0.00 1.02 0.00 0.00 30.24 29.85 1qxs n GLN 317 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1qxs n ASN 318 N -1.92 3.57 -4.65 1.08 3.02 -1.04 -5.04 115.26 110.27 1qxs n ASN 318 Ca 0.02 -3.50 -0.28 0.00 -0.03 0.00 0.00 54.58 50.79 1qxs n ASN 318 Cb 0.43 -0.40 -0.10 0.00 -0.61 0.00 0.00 39.78 39.09 1qxs n ASN 318 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1qxs s ASN 319 N -3.46 3.96 0.17 6.41 -0.87 -1.24 -4.88 114.94 115.03 1qxs s ASN 319 Ca 0.44 -1.36 -0.30 0.00 -1.57 0.00 0.00 52.86 50.07 1qxs s ASN 319 Cb 0.39 -0.33 -0.07 0.00 -0.02 0.00 0.00 41.25 41.22 1qxs s ASN 319 CO -0.01 -0.50 1.10 -0.76 -2.57 0.00 0.00 177.10 174.37 1qxs s LEU 320 N -3.75 4.48 0.23 0.60 1.43 -1.26 -4.99 118.68 115.42 1qxs s LEU 320 Ca 0.33 2.08 -0.30 0.00 -1.03 0.00 0.00 54.13 55.22 1qxs s LEU 320 Cb 0.09 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.61 1qxs s LEU 320 CO 0.17 -0.23 1.29 -2.16 0.23 0.00 0.00 176.35 175.65 1qxs s PRO 321 N -0.30 4.41 0.00 1.29 0.04 -1.26 -2.74 135.00 136.43 1qxs s PRO 321 Ca 0.50 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.59 1qxs s PRO 321 Cb -0.29 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1qxs s PRO 321 CO 0.35 -0.19 0.00 1.63 0.04 0.00 0.00 177.00 178.82 1qxs n LYS 322 N 2.21 -0.62 -2.11 4.56 5.02 -1.26 -4.97 118.16 120.99 1qxs n LYS 322 Ca 0.04 0.15 -0.41 0.00 -2.02 0.00 0.00 58.31 56.08 1qxs n LYS 322 Cb 0.43 -3.86 -0.02 0.00 -0.02 0.00 0.00 35.03 31.56 1qxs n LYS 322 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1qxs s GLU 323 N -0.84 4.33 -0.00 1.97 2.56 -1.11 -4.95 118.70 120.66 1qxs s GLU 323 Ca 0.00 2.19 0.15 0.00 0.00 0.00 0.00 54.97 57.31 1qxs s GLU 323 Cb 0.00 -3.13 -0.17 0.00 2.00 0.00 0.00 34.13 32.83 1qxs s GLU 323 CO 0.00 -0.30 0.60 0.54 -0.56 0.00 0.00 175.26 175.54 1qxs n ARG 324 N 2.01 1.89 0.00 4.30 1.74 -1.26 -4.34 116.66 121.00 1qxs n ARG 324 Ca 0.05 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1qxs n ARG 324 Cb 0.41 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 1qxs n ARG 324 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1qxs n ARG 325 N -1.43 0.00 -2.42 5.56 1.74 -1.26 -0.76 116.66 118.09 1qxs n ARG 325 Ca 0.02 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.68 1qxs n ARG 325 Cb 0.25 -0.29 -0.03 0.00 -1.02 0.00 0.00 32.46 31.38 1qxs n ARG 325 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1qxs s PHE 326 N -1.60 2.36 0.28 -1.55 5.36 -1.26 -1.97 117.98 119.60 1qxs s PHE 326 Ca 0.00 0.49 0.06 0.00 -0.96 0.00 0.00 56.93 56.52 1qxs s PHE 326 Cb 0.00 -4.41 -0.06 0.00 -0.34 0.00 0.00 43.02 38.22 1qxs s PHE 326 CO 0.00 -1.90 -0.05 -0.06 -1.46 0.00 0.00 175.22 171.75 1qxs s PHE 327 N 5.79 1.96 -0.04 10.12 0.08 -0.37 -4.67 117.98 130.84 1qxs s PHE 327 Ca 0.52 -0.72 0.01 0.00 0.12 0.00 0.00 56.93 56.86 1qxs s PHE 327 Cb -0.10 -1.14 0.02 0.00 -0.57 0.00 0.00 43.02 41.23 1qxs s PHE 327 CO 0.26 0.26 -0.03 0.21 -0.10 0.00 0.00 175.22 175.82 1qxs s LYS 328 N -3.74 0.66 -0.03 0.44 2.20 -1.25 -1.62 119.74 116.40 1qxs s LYS 328 Ca 0.30 -0.05 0.06 0.00 -0.36 0.00 0.00 55.97 55.92 1qxs s LYS 328 Cb 0.04 -0.72 -0.01 0.00 -1.51 0.00 0.00 37.83 35.63 1qxs s LYS 328 CO 0.12 -0.09 -0.21 0.42 -0.36 0.00 0.00 175.35 175.22 1qxs s ILE 329 N 0.93 1.72 -0.07 5.43 -1.09 0.14 -4.86 121.20 123.40 1qxs s ILE 329 Ca -0.11 -0.91 0.05 0.00 -2.23 0.00 0.00 60.65 57.45 1qxs s ILE 329 Cb -0.14 -1.44 -0.01 0.00 -1.58 0.00 0.00 42.46 39.28 1qxs s ILE 329 CO -0.00 0.49 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.29 1qxs s VAL 330 N -0.32 2.40 -0.03 2.92 1.01 -1.26 -0.34 120.40 124.77 1qxs s VAL 330 Ca 0.03 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 61.01 1qxs s VAL 330 Cb -0.10 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.38 1qxs s VAL 330 CO 0.01 0.57 0.14 -0.55 0.00 0.00 0.00 175.10 175.26 1qxs s SER 331 N -0.20 -0.06 0.42 3.32 0.15 -0.24 -1.11 113.70 115.99 1qxs s SER 331 Ca -0.02 0.03 0.08 0.00 0.70 0.00 0.00 55.95 56.74 1qxs s SER 331 Cb -0.13 0.26 -0.01 0.00 -1.71 0.00 0.00 66.02 64.42 1qxs s SER 331 CO 0.03 -0.22 0.44 0.26 1.20 0.00 0.00 173.24 174.96 1qxs s TRP 332 N -0.68 2.70 -0.29 3.44 0.52 0.15 0.17 118.94 124.95 1qxs s TRP 332 Ca -0.08 -0.48 -0.25 0.00 0.02 0.00 0.00 56.10 55.32 1qxs s TRP 332 Cb -0.05 -2.23 0.17 0.00 -1.15 0.00 0.00 33.47 30.21 1qxs s TRP 332 CO 0.01 -0.23 1.29 1.52 0.02 0.00 0.00 176.95 179.56 1qxs s TYR 333 N -2.45 -0.21 -0.56 -1.98 1.13 -0.83 0.31 117.35 112.76 1qxs s TYR 333 Ca 0.50 0.52 -0.25 0.00 -1.41 0.00 0.00 57.07 56.43 1qxs s TYR 333 Cb -0.05 0.43 0.04 0.00 -1.10 0.00 0.00 41.96 41.28 1qxs s TYR 333 CO 0.29 -0.10 1.00 0.34 -2.51 0.00 0.00 175.55 174.57 1qxs s ASP 334 N 0.13 6.36 0.38 -0.18 -1.08 -1.26 -0.08 116.67 120.93 1qxs s ASP 334 Ca 0.06 -0.26 0.15 0.00 -0.52 0.00 0.00 52.55 51.98 1qxs s ASP 334 Cb -0.05 -2.46 1.03 0.00 -1.46 0.00 0.00 42.92 39.98 1qxs s ASP 334 CO -0.12 -1.29 1.77 -0.55 0.52 0.00 0.00 175.17 175.50 1qxs h ASN 335 N 9.37 0.52 0.04 -0.34 -1.07 -1.90 -2.89 115.58 119.30 1qxs h ASN 335 Ca -0.26 0.09 -0.00 0.00 0.07 0.00 0.00 56.30 56.20 1qxs h ASN 335 Cb 1.07 0.01 0.00 0.00 -2.07 0.00 0.00 38.32 37.33 1qxs h ASN 335 CO 1.11 0.11 -0.02 -0.33 0.07 0.00 0.00 177.43 178.38 1qxs h GLU 336 N 0.47 -0.05 0.00 4.14 5.08 -1.98 -3.37 114.58 118.88 1qxs h GLU 336 Ca 0.59 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.96 1qxs h GLU 336 Cb 1.37 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1qxs h GLU 336 CO -0.33 0.11 0.00 1.87 -1.00 0.00 0.00 179.01 179.66 1qxs n TRP 337 N -4.79 0.00 -0.28 4.33 -0.00 -1.17 -2.08 117.44 113.45 1qxs n TRP 337 Ca -0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 57.50 57.40 1qxs n TRP 337 Cb 0.09 -0.40 -0.07 0.00 -0.00 0.00 0.00 31.31 30.94 1qxs n TRP 337 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1qxs n GLY 338 N -0.91 -2.76 0.24 5.87 0.00 -1.10 -1.07 105.19 105.47 1qxs n GLY 338 Ca 0.00 0.99 0.02 0.00 0.00 0.00 0.00 46.02 47.03 1qxs n GLY 338 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1qxs h TYR 339 N 0.00 0.13 -0.92 1.61 5.03 -1.72 -1.01 116.97 120.09 1qxs h TYR 339 Ca 0.11 0.04 0.11 0.00 2.58 0.00 0.00 58.73 61.57 1qxs h TYR 339 Cb 0.28 0.04 -0.07 0.00 1.55 0.00 0.00 36.73 38.53 1qxs h TYR 339 CO -1.00 -0.10 0.59 0.77 -1.32 0.00 0.00 178.16 177.11 1qxs h SER 340 N 0.21 0.81 -0.37 -2.11 0.02 -0.53 -0.52 113.55 111.06 1qxs h SER 340 Ca 0.35 0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 61.18 1qxs h SER 340 Cb 0.57 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1qxs h SER 340 CO -0.49 0.45 -0.38 0.45 -1.14 0.00 0.00 176.83 175.73 1qxs h HIS 341 N 0.88 1.11 -0.00 3.45 3.86 -0.42 -2.69 115.15 121.34 1qxs h HIS 341 Ca 0.44 -0.33 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1qxs h HIS 341 Cb 0.49 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.72 1qxs h HIS 341 CO -0.00 1.15 0.00 0.00 0.86 0.00 0.00 177.93 179.94 1qxs h ARG 342 N 0.76 0.00 -0.29 2.45 2.47 -0.46 -0.55 114.38 118.76 1qxs h ARG 342 Ca 0.06 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.73 1qxs h ARG 342 Cb 0.97 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.28 1qxs h ARG 342 CO 0.09 0.00 -0.02 0.28 0.56 0.00 0.00 179.97 180.88 1qxs h VAL 343 N 0.00 1.27 -0.52 2.04 2.07 -0.88 -0.25 116.25 119.98 1qxs h VAL 343 Ca 0.00 -0.99 -0.07 0.00 0.82 0.00 0.00 66.70 66.45 1qxs h VAL 343 Cb 0.00 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1qxs h VAL 343 CO -0.00 0.32 0.04 0.58 0.02 0.00 0.00 177.57 178.53 1qxs h VAL 344 N 0.31 1.26 0.64 2.57 2.07 -1.22 -2.11 116.25 119.77 1qxs h VAL 344 Ca 0.08 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.55 1qxs h VAL 344 Cb 0.47 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1qxs h VAL 344 CO 0.02 0.36 -0.35 0.44 0.02 0.00 0.00 177.57 178.07 1qxs h ASP 345 N 0.77 -0.85 -0.52 0.57 3.32 -0.97 0.10 116.42 118.85 1qxs h ASP 345 Ca 0.15 0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.35 1qxs h ASP 345 Cb 0.47 0.24 -0.09 0.00 0.22 0.00 0.00 39.33 40.16 1qxs h ASP 345 CO 0.02 -0.56 -0.03 0.25 -1.72 0.00 0.00 179.24 177.20 1qxs h LEU 346 N -0.91 -0.28 -0.12 1.55 5.85 -1.01 0.36 115.31 120.75 1qxs h LEU 346 Ca -0.08 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.79 1qxs h LEU 346 Cb 0.72 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1qxs h LEU 346 CO 0.11 -0.10 -0.04 0.58 -0.34 0.00 0.00 178.44 178.65 1qxs h VAL 347 N 0.09 0.86 0.05 1.05 2.07 -1.18 -0.79 116.25 118.41 1qxs h VAL 347 Ca 0.26 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.78 1qxs h VAL 347 Cb 0.40 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1qxs h VAL 347 CO -0.45 0.00 -0.07 0.03 0.02 0.00 0.00 177.57 177.10 1qxs h ARG 348 N -0.01 -0.14 -0.95 1.57 3.08 0.21 -1.41 114.38 116.74 1qxs h ARG 348 Ca 0.06 0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.27 1qxs h ARG 348 Cb 0.10 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.10 1qxs h ARG 348 CO -0.13 -0.09 0.60 1.25 -1.07 0.00 0.00 179.97 180.53 1qxs h HIS 349 N -0.14 0.93 -0.19 3.04 2.76 -0.07 -1.67 115.15 119.82 1qxs h HIS 349 Ca 0.01 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.15 1qxs h HIS 349 Cb 0.15 -0.29 -0.00 0.00 1.55 0.00 0.00 27.41 28.81 1qxs h HIS 349 CO -0.11 0.32 -0.10 0.52 -1.30 0.00 0.00 177.93 177.26 1qxs h MET 350 N 0.77 0.39 -0.75 5.26 2.86 -0.59 -1.12 114.93 121.75 1qxs h MET 350 Ca 0.49 -0.18 0.05 0.00 -2.06 0.00 0.00 59.70 58.00 1qxs h MET 350 Cb 0.73 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.33 1qxs h MET 350 CO -0.25 0.70 0.46 0.00 1.06 0.00 0.00 176.91 178.88 1qxs h ALA 351 N 0.68 1.01 -0.21 6.32 0.00 -0.53 0.79 119.26 127.31 1qxs h ALA 351 Ca 0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1qxs h ALA 351 Cb 0.59 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1qxs h ALA 351 CO 0.03 0.21 -0.03 0.66 0.00 0.00 0.00 179.25 180.12 1qxs h SER 352 N 0.87 0.39 0.56 0.00 4.64 -1.30 0.16 113.55 118.88 1qxs h SER 352 Ca 0.32 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1qxs h SER 352 Cb 0.10 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1qxs h SER 352 CO -0.14 0.64 0.00 0.29 -0.87 0.00 0.00 176.83 176.75 1qxs n LYS 353 N -4.64 0.04 -0.05 4.77 4.76 -0.43 -1.99 118.16 120.63 1qxs n LYS 353 Ca -0.04 0.28 -0.13 0.00 -2.87 0.00 0.00 58.31 55.54 1qxs n LYS 353 Cb 0.26 -1.58 -0.14 0.00 -1.84 0.00 0.00 35.03 31.73 1qxs n LYS 353 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1qxs n ASP 354 N -1.65 1.14 0.32 4.39 10.43 0.27 -3.74 116.55 127.70 1qxs n ASP 354 Ca 0.03 0.20 -0.16 0.00 2.57 0.00 0.00 54.79 57.44 1qxs n ASP 354 Cb 0.19 -0.08 -0.08 0.00 1.84 0.00 0.00 41.12 42.98 1qxs n ASP 354 CO 0.00 0.00 0.00 0.03 -1.07 0.00 0.00 177.20 176.16 1qxs h ARG 355 N 0.02 -0.78 -0.56 -1.24 2.47 -0.12 -3.11 114.38 111.06 1qxs h ARG 355 Ca -0.42 0.05 0.10 0.00 -1.26 0.00 0.00 59.98 58.46 1qxs h ARG 355 Cb 2.06 0.18 -0.11 0.00 -1.65 0.00 0.00 29.97 30.44 1qxs h ARG 355 CO 0.05 -0.47 -0.29 0.77 0.56 0.00 0.00 179.97 180.59 1qxs h SER 356 N -0.98 -1.00 -0.68 7.04 0.02 -1.59 0.15 113.55 116.51 1qxs h SER 356 Ca -0.08 0.21 0.20 0.00 -0.84 0.00 0.00 61.79 61.27 1qxs h SER 356 Cb 0.67 0.52 -0.03 0.00 0.14 0.00 0.00 62.40 63.70 1qxs h SER 356 CO 0.14 -0.29 0.55 0.00 -1.14 0.00 0.00 176.83 176.09 1qxs h ALA 357 N 1.10 2.55 -3.00 3.77 0.00 -1.64 -3.33 119.26 118.71 1qxs h ALA 357 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1qxs h ALA 357 Cb 0.53 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1qxs h ALA 357 CO -0.64 -0.90 0.00 2.89 0.00 0.00 0.00 179.25 180.60 1qxs n ARG 358 N -4.07 0.00 0.00 0.00 1.85 0.44 -5.12 116.66 109.75 1qxs n ARG 358 Ca 0.13 0.00 0.16 0.00 -1.00 0.00 0.00 57.85 57.14 1qxs n ARG 358 Cb 0.80 -0.01 0.95 0.00 -1.05 0.00 0.00 32.46 33.15 1qxs n ARG 358 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09