#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qxu s ASN 4 N 0.00 4.73 0.59 0.41 0.01 -1.26 -4.96 114.94 114.47 2qxu s ASN 4 Ca 0.00 1.89 -0.19 0.00 -0.71 0.00 0.00 52.86 53.85 2qxu s ASN 4 Cb 0.00 -2.53 -0.03 0.00 0.41 0.00 0.00 41.25 39.09 2qxu s ASN 4 CO 0.00 -1.88 1.23 -2.84 -1.51 0.00 0.00 177.10 172.10 2qxu s PRO 5 N -4.59 2.94 -0.18 -0.60 0.02 -1.26 -4.65 135.00 126.68 2qxu s PRO 5 Ca 0.63 1.89 -0.05 0.00 0.02 0.00 0.00 61.00 63.49 2qxu s PRO 5 Cb -0.18 -1.95 -0.03 0.00 0.02 0.00 0.00 34.50 32.36 2qxu s PRO 5 CO 0.50 -1.25 -0.01 0.08 -0.33 0.00 0.00 177.00 176.00 2qxu s VAL 6 N -1.54 4.04 -0.23 3.83 1.01 0.35 -1.35 120.40 126.51 2qxu s VAL 6 Ca 0.78 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 62.39 2qxu s VAL 6 Cb -0.32 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 2qxu s VAL 6 CO 0.35 0.46 0.05 -0.69 0.00 0.00 0.00 175.10 175.27 2qxu s VAL 7 N 0.60 4.24 -0.18 2.92 1.01 0.08 0.48 120.40 129.54 2qxu s VAL 7 Ca -0.01 -0.20 -0.08 0.00 0.00 0.00 0.00 61.98 61.68 2qxu s VAL 7 Cb -0.14 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 2qxu s VAL 7 CO 0.02 0.37 0.09 -0.04 0.00 0.00 0.00 175.10 175.54 2qxu s MET 8 N 1.42 4.02 -0.26 2.72 -1.94 0.23 -1.74 119.30 123.75 2qxu s MET 8 Ca 0.05 -0.29 -0.00 0.00 -1.71 0.00 0.00 55.69 53.74 2qxu s MET 8 Cb -0.15 -3.29 0.04 0.00 2.01 0.00 0.00 34.83 33.45 2qxu s MET 8 CO 0.03 0.31 -0.07 0.08 -0.01 0.00 0.00 175.02 175.36 2qxu s VAL 9 N 0.28 2.62 0.79 -6.03 1.01 0.13 -1.82 120.40 117.38 2qxu s VAL 9 Ca 0.06 -1.28 -0.12 0.00 0.00 0.00 0.00 61.98 60.64 2qxu s VAL 9 Cb -0.12 -2.41 0.06 0.00 0.00 0.00 0.00 36.38 33.92 2qxu s VAL 9 CO -0.01 0.09 1.13 -1.38 0.00 0.00 0.00 175.10 174.94 2qxu s HIS 10 N 1.24 2.99 0.00 5.22 -3.43 -1.26 -0.78 115.29 119.28 2qxu s HIS 10 Ca -0.03 0.93 0.00 0.00 -0.80 0.00 0.00 55.06 55.16 2qxu s HIS 10 Cb -0.18 -3.27 0.00 0.00 -1.43 0.00 0.00 32.58 27.70 2qxu s HIS 10 CO -0.05 -1.66 0.00 0.41 -2.00 0.00 0.00 174.74 171.44 2qxu n GLY 11 N -2.85 2.70 3.72 -1.38 0.00 -1.10 -3.31 105.19 102.97 2qxu n GLY 11 Ca 0.07 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 2qxu n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qxu s ILE 12 N 2.32 2.19 -0.77 -0.61 1.01 -1.26 -1.71 121.20 122.37 2qxu s ILE 12 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.79 2qxu s ILE 12 Cb 0.00 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.38 2qxu s ILE 12 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.56 2qxu n GLY 13 N 3.67 0.77 1.42 6.18 0.00 -0.93 -4.97 105.19 111.34 2qxu n GLY 13 Ca 0.14 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 2qxu n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qxu n GLY 14 N -0.16 0.50 3.51 -0.02 0.00 -0.69 -5.14 105.19 103.19 2qxu n GLY 14 Ca -0.07 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 43.89 2qxu n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qxu s ALA 15 N -3.04 -1.53 0.45 4.61 0.00 -1.26 -4.89 121.76 116.10 2qxu s ALA 15 Ca 0.25 0.34 0.18 0.00 0.00 0.00 0.00 51.96 52.73 2qxu s ALA 15 Cb -0.01 0.87 1.14 0.00 0.00 0.00 0.00 23.12 25.12 2qxu s ALA 15 CO 0.16 -0.82 1.94 0.66 0.00 0.00 0.00 175.76 177.71 2qxu h SER 16 N 2.00 0.29 0.48 0.00 4.64 -1.87 -0.82 113.55 118.26 2qxu h SER 16 Ca -0.31 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2qxu h SER 16 Cb 1.30 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2qxu h SER 16 CO 0.35 0.15 0.00 2.22 -0.87 0.00 0.00 176.83 178.68 2qxu n PHE 17 N -4.45 0.42 0.33 4.77 1.16 -1.26 -2.26 117.46 116.17 2qxu n PHE 17 Ca 0.13 0.18 0.22 0.00 -1.87 0.00 0.00 57.45 56.11 2qxu n PHE 17 Cb 0.54 -0.78 1.17 0.00 -1.61 0.00 0.00 39.48 38.79 2qxu n PHE 17 CO 0.00 0.00 0.00 -0.91 -1.87 0.00 0.00 176.76 173.98 2qxu h ASN 18 N 0.00 0.00 -0.56 5.98 2.35 -1.56 -2.14 115.58 119.65 2qxu h ASN 18 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2qxu h ASN 18 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 2qxu h ASN 18 CO 0.00 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.27 2qxu n PHE 19 N -3.08 1.27 -0.29 1.19 3.72 -0.96 -4.53 117.46 114.77 2qxu n PHE 19 Ca -0.03 -0.51 0.00 0.00 -0.05 0.00 0.00 57.45 56.87 2qxu n PHE 19 Cb 0.10 -0.21 0.13 0.00 -0.94 0.00 0.00 39.48 38.55 2qxu n PHE 19 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qxu h ALA 20 N 3.93 1.11 -0.06 4.37 0.00 -1.60 -1.03 119.26 125.98 2qxu h ALA 20 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2qxu h ALA 20 Cb 1.27 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2qxu h ALA 20 CO 0.20 0.22 -0.02 0.78 0.00 0.00 0.00 179.25 180.43 2qxu h GLY 21 N 0.90 0.13 1.31 0.00 0.00 -1.80 -2.48 103.07 101.14 2qxu h GLY 21 Ca 0.36 -0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.58 2qxu h GLY 21 CO -0.17 0.10 0.46 -2.22 0.00 0.00 0.00 176.54 174.72 2qxu h ILE 22 N -0.24 1.18 -0.05 2.60 2.04 -1.66 -0.91 117.51 120.46 2qxu h ILE 22 Ca 0.01 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 2qxu h ILE 22 Cb 0.44 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 2qxu h ILE 22 CO 0.01 0.18 0.02 0.50 0.00 0.00 0.00 178.15 178.85 2qxu h LYS 23 N 0.96 0.08 -0.44 2.37 3.64 -1.14 -0.99 116.57 121.05 2qxu h LYS 23 Ca 0.26 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 2qxu h LYS 23 Cb -0.11 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 2qxu h LYS 23 CO -0.06 0.21 0.15 0.77 -2.27 0.00 0.00 179.45 178.26 2qxu h SER 24 N -0.08 0.57 0.14 4.20 0.02 -1.00 -1.62 113.55 115.79 2qxu h SER 24 Ca 0.02 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 2qxu h SER 24 Cb 0.16 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2qxu h SER 24 CO -0.00 0.54 -0.07 0.22 -1.14 0.00 0.00 176.83 176.38 2qxu h TYR 25 N 0.62 -0.18 -0.50 3.45 3.20 -0.89 -2.10 116.97 120.58 2qxu h TYR 25 Ca 0.15 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.05 2qxu h TYR 25 Cb 0.16 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 2qxu h TYR 25 CO 0.01 0.07 0.28 -0.07 -1.64 0.00 0.00 178.16 176.81 2qxu h LEU 26 N -0.41 0.43 -0.76 2.82 3.38 -0.94 -1.35 115.31 118.48 2qxu h LEU 26 Ca -0.02 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.06 2qxu h LEU 26 Cb 0.33 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 2qxu h LEU 26 CO 0.03 0.30 0.41 0.58 0.09 0.00 0.00 178.44 179.85 2qxu h VAL 27 N 0.55 0.86 0.00 1.22 2.07 -1.26 0.38 116.25 120.06 2qxu h VAL 27 Ca 0.21 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2qxu h VAL 27 Cb 0.06 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 2qxu h VAL 27 CO -0.12 0.12 0.00 -1.54 0.02 0.00 0.00 177.57 176.06 2qxu n SER 28 N -4.82 0.67 -1.01 0.57 3.41 -0.59 -2.13 113.62 109.73 2qxu n SER 28 Ca 0.12 0.69 0.10 0.00 -0.26 0.00 0.00 58.87 59.52 2qxu n SER 28 Cb 0.29 -0.83 0.21 0.00 -0.26 0.00 0.00 64.21 63.63 2qxu n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qxu n GLN 29 N -2.27 2.48 0.00 4.33 1.13 0.13 -4.97 117.38 118.21 2qxu n GLN 29 Ca 0.01 -2.23 0.00 0.00 -1.94 0.00 0.00 57.00 52.84 2qxu n GLN 29 Cb 0.19 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.10 2qxu n GLN 29 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qxu n GLY 30 N 1.20 2.26 3.77 1.08 0.00 -0.79 -5.05 105.19 107.67 2qxu n GLY 30 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2qxu n GLY 30 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qxu s TRP 31 N -2.18 2.89 -0.04 1.61 0.51 -0.81 -4.97 118.94 115.95 2qxu s TRP 31 Ca 0.00 1.54 -0.30 0.00 -2.12 0.00 0.00 56.10 55.22 2qxu s TRP 31 Cb 0.00 -3.38 -0.02 0.00 -0.81 0.00 0.00 33.47 29.26 2qxu s TRP 31 CO 0.00 -1.49 1.00 0.45 -0.51 0.00 0.00 176.95 176.39 2qxu s SER 32 N -1.35 7.32 0.47 2.95 0.15 -1.26 -4.10 113.70 117.87 2qxu s SER 32 Ca 0.63 1.62 0.17 0.00 0.70 0.00 0.00 55.95 59.07 2qxu s SER 32 Cb -0.29 -2.56 1.15 0.00 -1.71 0.00 0.00 66.02 62.61 2qxu s SER 32 CO 0.35 -0.34 1.99 -0.09 1.20 0.00 0.00 173.24 176.35 2qxu h ARG 33 N 6.92 0.26 0.00 5.44 9.65 -1.94 0.28 114.38 135.00 2qxu h ARG 33 Ca -0.37 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.49 2qxu h ARG 33 Cb 1.19 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.71 2qxu h ARG 33 CO 0.79 0.17 0.00 -0.25 2.80 0.00 0.00 179.97 183.48 2qxu n ASP 34 N -4.45 0.00 -0.61 -3.80 8.00 -1.26 -3.32 116.55 111.11 2qxu n ASP 34 Ca 0.09 -0.97 0.06 0.00 0.71 0.00 0.00 54.79 54.68 2qxu n ASP 34 Cb 0.43 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.68 2qxu n ASP 34 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2qxu n LYS 35 N -0.99 1.15 -4.07 -1.24 5.02 0.09 -4.95 118.16 113.16 2qxu n LYS 35 Ca 0.22 -2.76 -0.32 0.00 -2.02 0.00 0.00 58.31 53.43 2qxu n LYS 35 Cb 0.10 -1.25 -0.15 0.00 -0.02 0.00 0.00 35.03 33.71 2qxu n LYS 35 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2qxu s LEU 36 N -2.41 3.25 0.13 -0.35 1.43 -1.21 -0.49 118.68 119.02 2qxu s LEU 36 Ca 0.33 -1.27 0.10 0.00 -1.03 0.00 0.00 54.13 52.26 2qxu s LEU 36 Cb 0.32 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 2qxu s LEU 36 CO -0.06 -0.16 -0.23 -0.31 0.23 0.00 0.00 176.35 175.82 2qxu s TYR 37 N 1.14 2.41 -0.06 0.29 1.51 0.18 -4.97 117.35 117.84 2qxu s TYR 37 Ca -0.07 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.67 2qxu s TYR 37 Cb -0.19 -1.29 0.02 0.00 -0.11 0.00 0.00 41.96 40.40 2qxu s TYR 37 CO -0.06 0.36 -0.03 0.00 -1.11 0.00 0.00 175.55 174.71 2qxu s ALA 38 N -1.11 0.78 0.67 3.71 0.00 -1.26 0.76 121.76 125.31 2qxu s ALA 38 Ca 0.16 -0.15 -0.09 0.00 0.00 0.00 0.00 51.96 51.87 2qxu s ALA 38 Cb -0.10 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.43 2qxu s ALA 38 CO 0.08 -0.22 1.02 0.54 0.00 0.00 0.00 175.76 177.18 2qxu s VAL 39 N 1.39 3.46 -0.15 0.00 0.11 -0.76 -4.81 120.40 119.64 2qxu s VAL 39 Ca -0.03 0.26 -0.01 0.00 -2.93 0.00 0.00 61.98 59.27 2qxu s VAL 39 Cb -0.13 -3.44 0.04 0.00 -1.53 0.00 0.00 36.38 31.32 2qxu s VAL 39 CO -0.03 -0.52 -0.06 -1.81 -3.33 0.00 0.00 175.10 169.35 2qxu s ASP 40 N -4.35 2.61 0.03 3.54 1.01 -1.26 -3.67 116.67 114.58 2qxu s ASP 40 Ca 0.57 -0.54 -0.15 0.00 0.71 0.00 0.00 52.55 53.13 2qxu s ASP 40 Cb -0.11 -0.88 -0.06 0.00 1.01 0.00 0.00 42.92 42.88 2qxu s ASP 40 CO 0.49 -0.17 0.44 -0.36 0.21 0.00 0.00 175.17 175.79 2qxu s PHE 41 N 1.67 3.72 -0.18 4.23 0.08 -1.26 -4.99 117.98 121.24 2qxu s PHE 41 Ca 0.02 1.03 0.17 0.00 0.12 0.00 0.00 56.93 58.27 2qxu s PHE 41 Cb -0.14 -2.32 0.02 0.00 -0.57 0.00 0.00 43.02 40.01 2qxu s PHE 41 CO -0.08 0.61 1.21 0.11 -0.10 0.00 0.00 175.22 176.98 2qxu h TRP 42 N 4.50 0.00 -3.16 0.36 5.08 -1.98 -3.43 115.95 117.31 2qxu h TRP 42 Ca -0.51 0.00 -0.56 0.00 1.08 0.00 0.00 58.89 58.90 2qxu h TRP 42 Cb 1.21 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 27.29 2qxu h TRP 42 CO 0.70 0.41 0.92 0.34 -1.28 0.00 0.00 178.44 179.53 2qxu s ASP 43 N -6.08 6.42 0.57 0.11 -1.08 -1.26 -4.88 116.67 110.46 2qxu s ASP 43 Ca 0.02 0.01 0.27 0.00 -0.52 0.00 0.00 52.55 52.32 2qxu s ASP 43 Cb 0.08 -2.54 1.64 0.00 -1.46 0.00 0.00 42.92 40.64 2qxu s ASP 43 CO 0.76 -1.46 2.17 0.07 0.52 0.00 0.00 175.17 177.24 2qxu h LYS 44 N 9.53 0.00 -0.00 4.34 2.10 -1.97 -1.19 116.57 129.37 2qxu h LYS 44 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 2qxu h LYS 44 Cb 1.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 2qxu h LYS 44 CO 1.18 0.00 -0.27 0.25 -2.00 0.00 0.00 179.45 178.61 2qxu n THR 45 N -4.00 0.00 -3.13 0.07 -2.24 -1.26 -2.20 114.28 101.52 2qxu n THR 45 Ca -0.01 -0.04 -0.23 0.00 -2.27 0.00 0.00 64.05 61.50 2qxu n THR 45 Cb 0.19 0.07 0.04 0.00 -2.10 0.00 0.00 70.33 68.54 2qxu n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qxu n GLY 46 N 1.41 -0.53 3.76 3.38 0.00 -0.45 -4.86 105.19 107.90 2qxu n GLY 46 Ca 0.10 0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 2qxu n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qxu s THR 47 N -3.21 2.75 0.35 2.61 -4.23 -1.26 -4.86 115.64 107.79 2qxu s THR 47 Ca 0.36 0.56 0.05 0.00 -1.18 0.00 0.00 61.69 61.48 2qxu s THR 47 Cb -0.16 -3.29 0.19 0.00 1.34 0.00 0.00 72.50 70.59 2qxu s THR 47 CO 0.45 -0.01 1.93 0.78 -0.54 0.00 0.00 174.62 177.23 2qxu h ASN 48 N 1.86 0.51 -0.57 3.99 2.35 -1.94 -0.88 115.58 120.89 2qxu h ASN 48 Ca -0.50 -0.07 0.05 0.00 -0.55 0.00 0.00 56.30 55.23 2qxu h ASN 48 Cb 1.27 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 39.46 2qxu h ASN 48 CO 0.59 0.51 0.31 0.22 -1.65 0.00 0.00 177.43 177.41 2qxu h TYR 49 N 0.55 0.57 0.16 1.19 3.20 -2.00 0.14 116.97 120.78 2qxu h TYR 49 Ca 0.13 0.02 -0.33 0.00 3.14 0.00 0.00 58.73 61.69 2qxu h TYR 49 Cb 0.20 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2qxu h TYR 49 CO 0.01 0.29 -1.66 -0.91 -1.64 0.00 0.00 178.16 174.24 2qxu h ASN 50 N 0.59 0.54 0.35 -2.11 2.35 -1.89 -3.40 115.58 112.02 2qxu h ASN 50 Ca 0.25 -0.92 -0.24 0.00 -0.55 0.00 0.00 56.30 54.84 2qxu h ASN 50 Cb 0.13 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 38.33 2qxu h ASN 50 CO -0.16 1.74 -1.02 0.78 -1.65 0.00 0.00 177.43 177.13 2qxu h ASN 51 N -0.02 0.56 -0.36 5.81 4.21 -1.17 -3.33 115.58 121.29 2qxu h ASN 51 Ca -0.34 -0.48 0.06 0.00 1.21 0.00 0.00 56.30 56.75 2qxu h ASN 51 Cb 2.00 -0.17 -0.08 0.00 -1.12 0.00 0.00 38.32 38.94 2qxu h ASN 51 CO 0.14 1.29 -0.47 1.23 -1.29 0.00 0.00 177.43 178.33 2qxu h GLY 52 N 1.17 -0.74 1.40 2.83 0.00 -0.91 0.18 103.07 107.00 2qxu h GLY 52 Ca -0.10 0.60 -0.00 0.00 0.00 0.00 0.00 47.33 47.83 2qxu h GLY 52 CO 0.18 -0.17 0.35 -2.55 0.00 0.00 0.00 176.54 174.35 2qxu h PRO 53 N -0.39 0.79 -0.40 4.80 0.11 -1.78 -1.34 132.00 133.79 2qxu h PRO 53 Ca 0.11 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.10 2qxu h PRO 53 Cb 0.60 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 2qxu h PRO 53 CO -0.55 0.56 0.04 0.28 -0.21 0.00 0.00 178.00 178.11 2qxu h VAL 54 N 0.81 1.25 -0.70 3.15 2.07 -1.44 -1.44 116.25 119.95 2qxu h VAL 54 Ca 0.21 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 66.75 2qxu h VAL 54 Cb -0.03 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2qxu h VAL 54 CO -0.04 0.32 0.23 0.25 0.02 0.00 0.00 177.57 178.35 2qxu h LEU 55 N 0.52 1.00 -0.04 2.57 5.85 -0.61 -0.83 115.31 123.77 2qxu h LEU 55 Ca 0.12 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.65 2qxu h LEU 55 Cb 0.42 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2qxu h LEU 55 CO 0.01 0.93 -0.01 -1.28 -0.34 0.00 0.00 178.44 177.75 2qxu h SER 56 N 1.01 -0.04 -0.35 1.25 0.87 -1.05 0.61 113.55 115.85 2qxu h SER 56 Ca 0.23 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.74 2qxu h SER 56 Cb 0.28 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 2qxu h SER 56 CO -0.01 -0.02 0.02 0.03 -0.53 0.00 0.00 176.83 176.33 2qxu h ARG 57 N -0.00 0.69 -0.30 2.24 3.08 -1.11 -1.64 114.38 117.34 2qxu h ARG 57 Ca 0.02 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 2qxu h ARG 57 Cb 0.03 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 2qxu h ARG 57 CO -0.05 0.69 -0.07 0.35 -1.07 0.00 0.00 179.97 179.82 2qxu h PHE 58 N 0.66 0.66 -0.46 3.04 3.57 -0.74 -1.00 116.94 122.66 2qxu h PHE 58 Ca 0.14 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2qxu h PHE 58 Cb 0.37 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2qxu h PHE 58 CO 0.02 0.77 0.24 0.28 -2.23 0.00 0.00 178.31 177.39 2qxu h VAL 59 N 0.35 1.17 -0.60 1.41 2.07 -0.68 -1.26 116.25 118.72 2qxu h VAL 59 Ca 0.08 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 2qxu h VAL 59 Cb 0.56 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2qxu h VAL 59 CO 0.03 0.19 0.21 -0.61 0.02 0.00 0.00 177.57 177.41 2qxu h GLN 60 N 0.61 0.89 -0.43 1.57 5.75 -1.21 0.08 115.11 122.38 2qxu h GLN 60 Ca 0.16 -0.16 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2qxu h GLN 60 Cb 0.08 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 2qxu h GLN 60 CO -0.02 0.75 0.26 -0.22 -2.65 0.00 0.00 178.83 176.95 2qxu h LYS 61 N 0.87 0.58 -0.35 1.69 3.64 -0.75 -0.93 116.57 121.33 2qxu h LYS 61 Ca 0.20 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2qxu h LYS 61 Cb 0.22 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 2qxu h LYS 61 CO -0.01 0.42 0.18 0.28 -2.27 0.00 0.00 179.45 178.05 2qxu h VAL 62 N 0.57 1.15 -0.77 2.00 2.07 -0.43 -1.00 116.25 119.84 2qxu h VAL 62 Ca 0.15 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.27 2qxu h VAL 62 Cb -0.01 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 2qxu h VAL 62 CO -0.03 0.15 0.50 -0.07 0.02 0.00 0.00 177.57 178.15 2qxu h LEU 63 N 0.44 0.89 -0.26 2.57 3.38 -0.75 -1.71 115.31 119.86 2qxu h LEU 63 Ca 0.12 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2qxu h LEU 63 Cb 0.08 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2qxu h LEU 63 CO -0.02 0.65 -0.00 0.44 0.09 0.00 0.00 178.44 179.60 2qxu h ASP 64 N 1.04 0.45 0.07 -0.43 3.32 -0.92 0.14 116.42 120.09 2qxu h ASP 64 Ca 0.28 -0.31 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 2qxu h ASP 64 Cb -0.11 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 2qxu h ASP 64 CO -0.06 0.65 -0.18 -0.33 -1.72 0.00 0.00 179.24 177.60 2qxu h GLU 65 N 0.23 0.23 0.00 3.56 5.08 -1.02 -3.26 114.58 119.40 2qxu h GLU 65 Ca 0.07 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2qxu h GLU 65 Cb 0.42 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2qxu h GLU 65 CO 0.01 0.41 -2.03 0.25 -1.00 0.00 0.00 179.01 176.65 2qxu n THR 66 N -4.23 0.27 -0.87 1.13 -2.24 -0.66 -4.99 114.28 102.70 2qxu n THR 66 Ca -0.01 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 2qxu n THR 66 Cb 0.31 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 2qxu n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qxu n GLY 67 N 1.41 0.81 3.79 3.38 0.00 0.50 -5.03 105.19 110.05 2qxu n GLY 67 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 2qxu n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qxu s ALA 68 N -3.14 2.57 -0.03 4.61 0.00 -1.18 -4.98 121.76 119.61 2qxu s ALA 68 Ca 0.00 0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.37 2qxu s ALA 68 Cb 0.00 -3.26 -0.25 0.00 0.00 0.00 0.00 23.12 19.61 2qxu s ALA 68 CO 0.00 -1.16 0.70 -0.22 0.00 0.00 0.00 175.76 175.08 2qxu h LYS 69 N -0.09 0.15 -4.22 0.00 3.64 -1.96 -3.45 116.57 110.65 2qxu h LYS 69 Ca -0.46 -0.25 -0.13 0.00 -1.27 0.00 0.00 60.65 58.55 2qxu h LYS 69 Cb 1.23 0.09 -0.15 0.00 -0.41 0.00 0.00 32.23 32.99 2qxu h LYS 69 CO 0.55 0.90 -0.63 0.15 -2.27 0.00 0.00 179.45 178.15 2qxu s LYS 70 N -2.60 0.70 0.30 1.90 1.02 -1.26 -4.74 119.74 115.05 2qxu s LYS 70 Ca -0.10 -1.23 0.11 0.00 0.02 0.00 0.00 55.97 54.78 2qxu s LYS 70 Cb 0.07 0.23 -0.05 0.00 -0.52 0.00 0.00 37.83 37.56 2qxu s LYS 70 CO 0.82 -0.16 -0.15 0.14 -0.92 0.00 0.00 175.35 175.08 2qxu s VAL 71 N -3.94 2.45 0.10 3.17 -7.23 -0.18 -4.21 120.40 110.56 2qxu s VAL 71 Ca 0.10 -2.31 0.05 0.00 -1.81 0.00 0.00 61.98 58.00 2qxu s VAL 71 Cb 0.07 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 2qxu s VAL 71 CO -0.08 -0.33 0.01 -1.81 -0.31 0.00 0.00 175.10 172.57 2qxu s ASP 72 N -3.55 5.05 -0.03 4.85 1.01 -0.46 -1.45 116.67 122.09 2qxu s ASP 72 Ca 0.31 -0.18 0.06 0.00 0.71 0.00 0.00 52.55 53.45 2qxu s ASP 72 Cb -0.03 -1.21 -0.01 0.00 1.01 0.00 0.00 42.92 42.68 2qxu s ASP 72 CO 0.16 0.17 -0.20 -0.63 0.21 0.00 0.00 175.17 174.87 2qxu s ILE 73 N -1.34 1.63 -0.22 0.77 1.01 0.03 -0.74 121.20 122.34 2qxu s ILE 73 Ca 0.26 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 60.06 2qxu s ILE 73 Cb -0.12 -1.36 0.04 0.00 0.01 0.00 0.00 42.46 41.04 2qxu s ILE 73 CO 0.19 0.46 -0.13 -0.69 0.00 0.00 0.00 174.94 174.76 2qxu s VAL 74 N -0.35 1.96 0.01 2.92 1.01 -0.71 -0.95 120.40 124.28 2qxu s VAL 74 Ca 0.05 -1.22 0.08 0.00 0.00 0.00 0.00 61.98 60.89 2qxu s VAL 74 Cb -0.09 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 2qxu s VAL 74 CO 0.00 0.21 -0.26 0.00 0.00 0.00 0.00 175.10 175.05 2qxu s ALA 75 N 1.26 2.15 -0.08 5.51 0.00 0.25 -0.69 121.76 130.16 2qxu s ALA 75 Ca -0.02 -1.17 0.03 0.00 0.00 0.00 0.00 51.96 50.80 2qxu s ALA 75 Cb -0.17 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 2qxu s ALA 75 CO -0.08 0.52 -0.16 -1.58 0.00 0.00 0.00 175.76 174.45 2qxu s HIS 76 N -0.70 2.69 0.00 0.00 5.65 0.04 0.29 115.29 123.27 2qxu s HIS 76 Ca 0.11 -0.48 0.00 0.00 0.25 0.00 0.00 55.06 54.94 2qxu s HIS 76 Cb -0.10 -1.71 0.00 0.00 -1.18 0.00 0.00 32.58 29.59 2qxu s HIS 76 CO 0.00 -0.06 0.00 0.45 -0.65 0.00 0.00 174.74 174.49 2qxu n SER 77 N 2.93 0.00 0.20 9.88 2.88 -0.35 -0.62 113.62 128.54 2qxu n SER 77 Ca -0.18 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.54 2qxu n SER 77 Cb 0.52 0.00 0.83 0.00 -0.75 0.00 0.00 64.21 64.81 2qxu n SER 77 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 2qxu h MET 78 N 0.00 0.00 -0.20 -1.46 1.85 -1.86 0.17 114.93 113.44 2qxu h MET 78 Ca 0.00 0.00 0.06 0.00 -0.61 0.00 0.00 59.70 59.15 2qxu h MET 78 Cb 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 2qxu h MET 78 CO 0.00 0.00 0.18 0.78 -0.40 0.00 0.00 176.91 177.47 2qxu h GLY 79 N 0.00 0.00 0.92 1.39 0.00 -0.86 0.10 103.07 104.63 2qxu h GLY 79 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.35 2qxu h GLY 79 CO -0.00 0.00 -0.08 -1.33 0.00 0.00 0.00 176.54 175.13 2qxu h GLY 80 N 0.00 0.70 1.04 4.60 0.00 -0.87 -0.62 103.07 107.93 2qxu h GLY 80 Ca 0.09 -0.58 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 2qxu h GLY 80 CO -0.00 0.53 0.10 0.00 0.00 0.00 0.00 176.54 177.17 2qxu h ALA 81 N 0.81 0.82 -0.79 3.60 0.00 -1.14 -1.76 119.26 120.80 2qxu h ALA 81 Ca 0.08 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2qxu h ALA 81 Cb 0.58 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2qxu h ALA 81 CO 0.03 0.57 0.35 -0.91 0.00 0.00 0.00 179.25 179.30 2qxu h ASN 82 N 0.93 1.06 -0.37 0.00 2.35 -1.12 -0.91 115.58 117.51 2qxu h ASN 82 Ca 0.19 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 2qxu h ASN 82 Cb 0.43 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 2qxu h ASN 82 CO 0.01 0.92 0.15 0.74 -1.65 0.00 0.00 177.43 177.60 2qxu h THR 83 N 1.13 1.19 -0.35 2.81 2.02 -0.83 -0.71 112.91 118.17 2qxu h THR 83 Ca 0.27 -0.57 -0.07 0.00 0.77 0.00 0.00 66.41 66.80 2qxu h THR 83 Cb 0.17 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 2qxu h THR 83 CO -0.03 0.21 -0.07 -0.07 0.37 0.00 0.00 175.52 175.92 2qxu h LEU 84 N 0.45 0.56 -0.52 2.58 3.38 -1.09 -1.53 115.31 119.14 2qxu h LEU 84 Ca 0.12 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2qxu h LEU 84 Cb 0.18 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2qxu h LEU 84 CO -0.01 0.68 0.16 0.22 0.09 0.00 0.00 178.44 179.58 2qxu h TYR 85 N 0.54 0.83 -0.93 1.13 3.20 -0.83 0.24 116.97 121.15 2qxu h TYR 85 Ca 0.10 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 2qxu h TYR 85 Cb 0.46 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 2qxu h TYR 85 CO 0.02 0.71 0.57 -0.92 -1.64 0.00 0.00 178.16 176.90 2qxu h TYR 86 N 0.70 1.21 -0.09 -3.82 3.20 -0.67 0.33 116.97 117.83 2qxu h TYR 86 Ca 0.17 0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.80 2qxu h TYR 86 Cb 0.27 -0.40 0.01 0.00 1.54 0.00 0.00 36.73 38.15 2qxu h TYR 86 CO 0.01 0.80 -0.89 0.82 -1.64 0.00 0.00 178.16 177.26 2qxu h ILE 87 N 1.27 1.28 0.01 1.81 2.04 -0.89 -1.96 117.51 121.08 2qxu h ILE 87 Ca 0.33 -2.09 -0.02 0.00 1.00 0.00 0.00 64.86 64.08 2qxu h ILE 87 Cb -0.07 2.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 2qxu h ILE 87 CO -0.06 0.66 -0.07 0.50 0.00 0.00 0.00 178.15 179.17 2qxu h LYS 88 N 0.48 0.03 0.00 2.37 3.64 -0.36 -3.29 116.57 119.44 2qxu h LYS 88 Ca -0.09 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2qxu h LYS 88 Cb 1.53 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.37 2qxu h LYS 88 CO 0.18 0.93 -1.38 0.09 -2.27 0.00 0.00 179.45 176.99 2qxu n ASN 89 N -4.61 1.05 0.00 4.20 5.03 0.09 -5.01 115.26 116.00 2qxu n ASN 89 Ca -0.10 -0.33 0.00 0.00 0.87 0.00 0.00 54.58 55.02 2qxu n ASN 89 Cb 0.47 1.47 0.00 0.00 -1.02 0.00 0.00 39.78 40.70 2qxu n ASN 89 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2qxu n LEU 90 N -1.81 0.00 -1.51 3.41 4.77 -1.01 -5.03 117.00 115.81 2qxu n LEU 90 Ca -0.01 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.05 2qxu n LEU 90 Cb 0.36 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 41.80 2qxu n LEU 90 CO 0.34 0.00 0.81 -0.90 -1.33 0.00 0.00 177.39 176.31 2qxu n ASP 91 N 0.00 4.95 0.00 -1.43 5.75 -1.20 -4.55 116.55 120.06 2qxu n ASP 91 Ca 0.00 -2.84 0.14 0.00 -0.01 0.00 0.00 54.79 52.08 2qxu n ASP 91 Cb 0.00 -0.61 0.61 0.00 -1.03 0.00 0.00 41.12 40.09 2qxu n ASP 91 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qxu n GLY 92 N 0.39 -1.45 0.38 6.12 0.00 -0.77 -4.28 105.19 105.59 2qxu n GLY 92 Ca 0.25 -0.10 0.27 0.00 0.00 0.00 0.00 46.02 46.44 2qxu n GLY 92 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qxu h GLY 93 N 4.84 1.70 -0.65 -0.02 0.00 -1.77 -2.10 103.07 105.07 2qxu h GLY 93 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 2qxu h GLY 93 CO 0.00 -0.39 -0.29 1.16 0.00 0.00 0.00 176.54 177.01 2qxu n ASN 94 N -4.87 1.46 -0.26 0.19 0.23 -1.26 -0.11 115.26 110.64 2qxu n ASN 94 Ca 0.32 -2.78 0.03 0.00 -0.53 0.00 0.00 54.58 51.62 2qxu n ASN 94 Cb 1.08 -0.36 0.02 0.00 -2.08 0.00 0.00 39.78 38.44 2qxu n ASN 94 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2qxu n LYS 95 N -0.82 0.31 -4.99 -3.83 5.02 -0.80 -4.85 118.16 108.20 2qxu n LYS 95 Ca 0.11 -0.85 -0.27 0.00 -2.02 0.00 0.00 58.31 55.28 2qxu n LYS 95 Cb 0.70 -1.11 -0.16 0.00 -0.02 0.00 0.00 35.03 34.45 2qxu n LYS 95 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2qxu s VAL 96 N -0.64 1.61 -0.02 -0.18 1.01 -1.14 -1.01 120.40 120.03 2qxu s VAL 96 Ca 0.08 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.17 2qxu s VAL 96 Cb 0.06 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 2qxu s VAL 96 CO 0.10 0.46 -0.06 0.00 0.00 0.00 0.00 175.10 175.60 2qxu n ALA 97 N 2.77 1.47 -2.71 5.51 0.00 -0.53 -4.76 120.51 122.25 2qxu n ALA 97 Ca -0.16 -0.23 -0.34 0.00 0.00 0.00 0.00 53.44 52.70 2qxu n ALA 97 Cb 0.53 0.04 -0.11 0.00 0.00 0.00 0.00 19.45 19.91 2qxu n ALA 97 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2qxu s ASN 98 N -4.89 4.92 -0.05 0.00 0.01 -1.26 -1.87 114.94 111.80 2qxu s ASN 98 Ca -0.05 0.02 0.03 0.00 -0.71 0.00 0.00 52.86 52.15 2qxu s ASN 98 Cb 0.01 -1.44 0.00 0.00 0.41 0.00 0.00 41.25 40.23 2qxu s ASN 98 CO 0.07 0.32 -0.15 -0.69 -1.51 0.00 0.00 177.10 175.13 2qxu s VAL 99 N -0.53 1.34 -0.10 1.60 1.01 0.16 -0.79 120.40 123.09 2qxu s VAL 99 Ca 0.08 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 2qxu s VAL 99 Cb -0.12 -1.18 0.03 0.00 0.00 0.00 0.00 36.38 35.11 2qxu s VAL 99 CO 0.02 0.39 -0.05 -0.69 0.00 0.00 0.00 175.10 174.77 2qxu s VAL 100 N 0.30 0.82 0.02 2.92 1.01 -0.13 -1.10 120.40 124.23 2qxu s VAL 100 Ca -0.09 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.76 2qxu s VAL 100 Cb -0.13 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 2qxu s VAL 100 CO 0.03 0.33 -0.05 0.42 0.00 0.00 0.00 175.10 175.83 2qxu s THR 101 N 1.76 3.75 -0.25 3.92 -4.23 -0.55 -0.58 115.64 119.46 2qxu s THR 101 Ca 0.04 -0.79 0.01 0.00 -1.18 0.00 0.00 61.69 59.77 2qxu s THR 101 Cb -0.13 -2.66 0.04 0.00 1.34 0.00 0.00 72.50 71.10 2qxu s THR 101 CO -0.07 0.35 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.50 2qxu s LEU 102 N -1.56 3.17 -1.65 4.79 1.43 0.14 -1.26 118.68 123.75 2qxu s LEU 102 Ca 0.18 -1.10 -0.17 0.00 -1.03 0.00 0.00 54.13 52.01 2qxu s LEU 102 Cb -0.11 -1.58 0.14 0.00 0.03 0.00 0.00 46.19 44.66 2qxu s LEU 102 CO 0.09 -0.14 0.85 0.61 0.23 0.00 0.00 176.35 177.99 2qxu n GLY 103 N 4.55 -0.46 3.77 -3.19 0.00 0.88 -1.21 105.19 109.53 2qxu n GLY 103 Ca -0.16 0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2qxu n GLY 103 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qxu s GLY 104 N -3.30 2.96 -0.68 -0.02 0.00 -1.26 -3.06 107.32 101.96 2qxu s GLY 104 Ca 0.72 1.12 -0.04 0.00 0.00 0.00 0.00 44.72 46.52 2qxu s GLY 104 CO 0.90 1.71 2.62 0.00 0.00 0.00 0.00 173.10 178.33 2qxu n ALA 105 N 0.52 6.53 -0.26 3.20 0.00 -0.26 -2.89 120.51 127.35 2qxu n ALA 105 Ca 0.02 -3.38 0.01 0.00 0.00 0.00 0.00 53.44 50.09 2qxu n ALA 105 Cb 0.44 -2.27 0.14 0.00 0.00 0.00 0.00 19.45 17.75 2qxu n ALA 105 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2qxu h ASN 106 N 3.37 0.60 0.13 0.00 2.35 -1.61 -2.55 115.58 117.87 2qxu h ASN 106 Ca 0.47 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 56.27 2qxu h ASN 106 Cb 0.58 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.87 2qxu h ASN 106 CO 1.05 0.36 0.00 0.54 -1.65 0.00 0.00 177.43 177.72 2qxu n ARG 107 N -4.78 0.02 0.10 0.81 5.12 -0.24 -1.17 116.66 116.52 2qxu n ARG 107 Ca 0.11 0.46 0.11 0.00 -1.93 0.00 0.00 57.85 56.60 2qxu n ARG 107 Cb 0.24 -1.55 0.45 0.00 -1.16 0.00 0.00 32.46 30.43 2qxu n ARG 107 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2qxu n LEU 108 N -1.59 0.52 -0.03 0.55 4.77 -0.96 -3.76 117.00 116.50 2qxu n LEU 108 Ca 0.01 0.62 -0.07 0.00 -0.03 0.00 0.00 56.01 56.53 2qxu n LEU 108 Cb 0.05 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 40.58 2qxu n LEU 108 CO 0.04 -0.44 -0.66 0.41 -1.33 0.00 0.00 177.39 175.41 2qxu n THR 109 N -2.06 0.56 -3.47 -5.08 -1.04 -0.32 -5.09 114.28 97.78 2qxu n THR 109 Ca 0.03 -0.03 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 2qxu n THR 109 Cb 0.24 -1.63 -0.03 0.00 -1.82 0.00 0.00 70.33 67.09 2qxu n THR 109 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2qxu s THR 110 N -2.16 0.00 -2.64 12.58 -1.32 -0.85 -5.01 115.64 116.24 2qxu s THR 110 Ca -0.10 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.61 2qxu s THR 110 Cb 0.04 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.35 2qxu s THR 110 CO 0.13 0.00 1.33 0.61 -2.21 0.00 0.00 174.62 174.48 2qxu n GLY 111 N -0.06 1.40 3.63 6.08 0.00 -1.26 -3.41 105.19 111.57 2qxu n GLY 111 Ca -0.14 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 2qxu n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qxu s LYS 112 N -1.67 2.48 -0.98 1.61 -0.14 -1.26 0.03 119.74 119.80 2qxu s LYS 112 Ca 0.34 -0.81 -0.24 0.00 -1.36 0.00 0.00 55.97 53.90 2qxu s LYS 112 Cb 0.21 -2.49 0.05 0.00 -1.68 0.00 0.00 37.83 33.92 2qxu s LYS 112 CO 0.30 0.57 1.43 0.00 -0.76 0.00 0.00 175.35 176.89 2qxu s ALA 113 N -1.14 2.72 -0.02 5.17 0.00 -0.33 -4.79 121.76 123.35 2qxu s ALA 113 Ca 0.21 -2.14 -0.32 0.00 0.00 0.00 0.00 51.96 49.70 2qxu s ALA 113 Cb -0.11 -4.49 -0.11 0.00 0.00 0.00 0.00 23.12 18.41 2qxu s ALA 113 CO 0.12 -3.57 1.91 1.28 0.00 0.00 0.00 175.76 175.50 2qxu n LEU 114 N 8.95 3.74 0.25 0.00 4.77 -1.26 -4.75 117.00 128.69 2qxu n LEU 114 Ca 0.29 0.95 0.16 0.00 -0.03 0.00 0.00 56.01 57.38 2qxu n LEU 114 Cb 0.51 -1.44 0.68 0.00 -2.33 0.00 0.00 43.42 40.84 2qxu n LEU 114 CO 0.67 0.05 0.98 1.55 -1.33 0.00 0.00 177.39 179.30 2qxu h PRO 115 N 9.59 0.00 0.00 3.23 0.13 -1.92 -3.41 132.00 139.62 2qxu h PRO 115 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2qxu h PRO 115 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2qxu h PRO 115 CO 0.94 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.12 2qxu n GLY 116 N -0.07 -1.86 0.08 1.56 0.00 -1.26 -0.72 105.19 102.91 2qxu n GLY 116 Ca 0.01 -1.54 0.01 0.00 0.00 0.00 0.00 46.02 44.49 2qxu n GLY 116 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qxu n THR 117 N 0.00 0.68 -2.59 2.61 -2.24 0.84 -4.95 114.28 108.64 2qxu n THR 117 Ca 0.00 -0.84 -0.43 0.00 -2.27 0.00 0.00 64.05 60.51 2qxu n THR 117 Cb 0.00 0.67 -0.02 0.00 -2.10 0.00 0.00 70.33 68.88 2qxu n THR 117 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2qxu s ASP 118 N -0.72 6.92 0.63 3.42 -1.08 -1.26 -4.91 116.67 119.67 2qxu s ASP 118 Ca 0.03 1.19 0.41 0.00 -0.52 0.00 0.00 52.55 53.65 2qxu s ASP 118 Cb 0.02 -2.54 2.11 0.00 -1.46 0.00 0.00 42.92 41.05 2qxu s ASP 118 CO 0.02 -0.87 2.27 1.55 0.52 0.00 0.00 175.17 178.66 2qxu h PRO 119 N 8.20 0.00 -0.17 4.34 0.13 -1.98 -2.92 132.00 139.61 2qxu h PRO 119 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2qxu h PRO 119 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2qxu h PRO 119 CO 1.02 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 178.89 2qxu n ASN 120 N -3.15 2.81 -3.38 1.44 3.02 -1.26 -4.93 115.26 109.80 2qxu n ASN 120 Ca -0.02 -1.83 0.02 0.00 -0.03 0.00 0.00 54.58 52.72 2qxu n ASN 120 Cb 0.13 -0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.17 2qxu n ASN 120 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2qxu s GLN 121 N -1.39 0.39 0.53 3.52 2.00 -1.10 -5.15 119.66 118.45 2qxu s GLN 121 Ca 0.26 0.89 -0.18 0.00 -2.00 0.00 0.00 55.36 54.33 2qxu s GLN 121 Cb 0.17 0.52 -0.07 0.00 0.80 0.00 0.00 33.01 34.43 2qxu s GLN 121 CO 0.24 -0.23 1.03 0.15 -0.50 0.00 0.00 175.29 175.98 2qxu s LYS 122 N 2.71 3.68 0.12 1.67 1.02 -1.26 -4.39 119.74 123.29 2qxu s LYS 122 Ca 0.01 1.18 -0.31 0.00 0.02 0.00 0.00 55.97 56.87 2qxu s LYS 122 Cb -0.10 -2.09 -0.08 0.00 -0.52 0.00 0.00 37.83 35.05 2qxu s LYS 122 CO -0.17 -0.51 1.32 0.42 -0.92 0.00 0.00 175.35 175.49 2qxu s ILE 123 N -2.33 3.46 -0.13 2.17 1.01 0.10 -4.98 121.20 120.49 2qxu s ILE 123 Ca 0.63 1.08 -0.08 0.00 0.00 0.00 0.00 60.65 62.28 2qxu s ILE 123 Cb -0.14 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 2qxu s ILE 123 CO 0.29 0.10 0.15 -0.76 0.00 0.00 0.00 174.94 174.72 2qxu s LEU 124 N 0.80 4.35 0.09 2.97 1.43 -0.78 -4.65 118.68 122.89 2qxu s LEU 124 Ca 0.61 0.44 0.10 0.00 -1.03 0.00 0.00 54.13 54.25 2qxu s LEU 124 Cb -0.35 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.73 2qxu s LEU 124 CO 0.32 0.35 -0.26 -0.31 0.23 0.00 0.00 176.35 176.68 2qxu s TYR 125 N -0.70 2.24 -0.19 0.29 1.51 -0.50 -0.67 117.35 119.33 2qxu s TYR 125 Ca 0.14 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.77 2qxu s TYR 125 Cb -0.12 -1.27 0.06 0.00 -0.11 0.00 0.00 41.96 40.52 2qxu s TYR 125 CO 0.03 0.23 0.06 0.99 -1.11 0.00 0.00 175.55 175.75 2qxu s THR 126 N -0.95 0.32 -0.36 -0.71 2.01 -0.26 -1.71 115.64 113.98 2qxu s THR 126 Ca 0.12 -0.45 -0.10 0.00 0.31 0.00 0.00 61.69 61.57 2qxu s THR 126 Cb -0.10 -0.89 0.03 0.00 0.01 0.00 0.00 72.50 71.54 2qxu s THR 126 CO 0.04 -0.25 0.18 -0.55 -0.69 0.00 0.00 174.62 173.35 2qxu s SER 127 N 1.95 5.60 -0.18 3.53 0.15 -0.01 -1.49 113.70 123.25 2qxu s SER 127 Ca 0.00 -0.97 -0.08 0.00 0.70 0.00 0.00 55.95 55.60 2qxu s SER 127 Cb -0.17 -1.98 -0.04 0.00 -1.71 0.00 0.00 66.02 62.12 2qxu s SER 127 CO -0.09 -0.35 0.09 -0.63 1.20 0.00 0.00 173.24 173.46 2qxu s ILE 128 N 1.53 5.04 -0.02 6.45 1.01 -0.39 -0.19 121.20 134.62 2qxu s ILE 128 Ca 0.02 0.05 -0.14 0.00 0.00 0.00 0.00 60.65 60.58 2qxu s ILE 128 Cb -0.19 -3.27 0.02 0.00 0.01 0.00 0.00 42.46 39.03 2qxu s ILE 128 CO 0.06 0.47 0.30 -0.72 0.00 0.00 0.00 174.94 175.05 2qxu s TYR 129 N 0.24 -0.19 -0.10 3.97 -0.85 -0.67 -0.08 117.35 119.67 2qxu s TYR 129 Ca 0.06 0.31 -0.00 0.00 -0.52 0.00 0.00 57.07 56.92 2qxu s TYR 129 Cb -0.12 0.09 -0.03 0.00 0.38 0.00 0.00 41.96 42.29 2qxu s TYR 129 CO -0.00 -0.36 -0.07 0.45 -1.52 0.00 0.00 175.55 174.04 2qxu s SER 130 N -1.17 4.59 0.13 -0.18 0.15 -1.26 -0.98 113.70 114.98 2qxu s SER 130 Ca -0.12 -0.10 0.13 0.00 0.70 0.00 0.00 55.95 56.56 2qxu s SER 130 Cb -0.05 -1.38 0.62 0.00 -1.71 0.00 0.00 66.02 63.49 2qxu s SER 130 CO 0.04 0.28 1.40 -1.54 1.20 0.00 0.00 173.24 174.62 2qxu n SER 131 N 2.75 0.27 -0.78 5.45 3.41 -0.80 -0.76 113.62 123.15 2qxu n SER 131 Ca -0.18 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.15 2qxu n SER 131 Cb 0.53 -0.64 0.31 0.00 -0.26 0.00 0.00 64.21 64.14 2qxu n SER 131 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qxu n ALA 132 N -1.62 2.49 -2.53 7.33 0.00 -1.26 -4.83 120.51 120.09 2qxu n ALA 132 Ca 0.01 -0.67 -0.43 0.00 0.00 0.00 0.00 53.44 52.35 2qxu n ALA 132 Cb 0.09 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.48 2qxu n ALA 132 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2qxu s ASP 133 N -1.69 6.37 0.00 0.00 -1.08 0.06 -4.60 116.67 115.72 2qxu s ASP 133 Ca 0.34 -0.21 0.20 0.00 -0.52 0.00 0.00 52.55 52.37 2qxu s ASP 133 Cb 0.20 -2.34 0.03 0.00 -1.46 0.00 0.00 42.92 39.34 2qxu s ASP 133 CO 0.30 -0.82 1.04 0.23 0.52 0.00 0.00 175.17 176.44 2qxu n MET 134 N 6.41 1.51 -0.06 4.34 2.81 -1.26 -4.35 117.12 126.53 2qxu n MET 134 Ca -0.00 -1.11 -0.16 0.00 -1.81 0.00 0.00 57.70 54.63 2qxu n MET 134 Cb 0.48 -1.40 -0.13 0.00 -0.71 0.00 0.00 33.22 31.45 2qxu n MET 134 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2qxu h ILE 135 N 2.62 1.66 -3.68 2.02 1.08 -1.99 -3.41 117.51 115.81 2qxu h ILE 135 Ca 0.00 -2.36 -0.67 0.00 -0.39 0.00 0.00 64.86 61.45 2qxu h ILE 135 Cb 0.73 3.24 -0.39 0.00 -3.07 0.00 0.00 36.82 37.33 2qxu h ILE 135 CO 0.00 0.60 -0.71 -0.69 -0.69 0.00 0.00 178.15 176.66 2qxu s VAL 136 N -2.27 2.41 0.53 1.67 1.01 -1.26 -5.10 120.40 117.39 2qxu s VAL 136 Ca -0.19 -2.24 -0.22 0.00 0.00 0.00 0.00 61.98 59.33 2qxu s VAL 136 Cb -0.01 -2.73 -0.06 0.00 0.00 0.00 0.00 36.38 33.57 2qxu s VAL 136 CO 0.70 -0.56 1.19 0.23 0.00 0.00 0.00 175.10 176.66 2qxu n MET 137 N 4.31 1.46 -0.03 2.72 2.81 -1.26 -4.87 117.12 122.27 2qxu n MET 137 Ca 0.02 0.54 0.14 0.00 -1.81 0.00 0.00 57.70 56.59 2qxu n MET 137 Cb 0.42 -2.36 0.58 0.00 -0.71 0.00 0.00 33.22 31.15 2qxu n MET 137 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2qxu h ASN 138 N 1.28 0.21 -0.03 7.83 2.35 -1.87 -1.76 115.58 123.59 2qxu h ASN 138 Ca -0.49 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.28 2qxu h ASN 138 Cb 1.32 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.65 2qxu h ASN 138 CO 0.56 0.12 0.03 0.10 -1.65 0.00 0.00 177.43 176.60 2qxu h TYR 139 N 0.23 0.00 0.00 1.19 -0.00 -1.95 0.29 116.97 116.73 2qxu h TYR 139 Ca 0.25 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.88 2qxu h TYR 139 Cb 0.66 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.38 2qxu h TYR 139 CO -0.00 0.00 -0.44 -0.07 -0.00 0.00 0.00 178.16 177.65 2qxu h LEU 140 N 0.00 0.00 0.06 0.10 3.38 -1.62 -3.31 115.31 113.93 2qxu h LEU 140 Ca 0.02 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.70 2qxu h LEU 140 Cb 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2qxu h LEU 140 CO -0.00 0.44 -1.52 0.28 0.09 0.00 0.00 178.44 177.73 2qxu h SER 141 N 0.00 0.20 -2.55 -0.43 0.02 -0.82 -0.42 113.55 109.55 2qxu h SER 141 Ca -0.00 -0.30 -0.53 0.00 -0.84 0.00 0.00 61.79 60.11 2qxu h SER 141 Cb 1.12 -0.06 0.02 0.00 0.14 0.00 0.00 62.40 63.62 2qxu h SER 141 CO 0.06 1.26 1.10 -0.13 -1.14 0.00 0.00 176.83 177.97 2qxu s ARG 142 N -2.62 4.16 -0.14 3.45 0.52 -0.93 -4.79 118.95 118.60 2qxu s ARG 142 Ca -0.07 2.47 -0.01 0.00 -0.52 0.00 0.00 55.73 57.61 2qxu s ARG 142 Cb 0.08 -3.76 -0.02 0.00 0.52 0.00 0.00 34.95 31.77 2qxu s ARG 142 CO 0.83 -0.83 -0.11 -0.51 0.02 0.00 0.00 175.30 174.70 2qxu s LEU 143 N 3.22 2.85 -0.06 2.53 1.43 -1.26 -4.84 118.68 122.55 2qxu s LEU 143 Ca 0.80 -0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 53.32 2qxu s LEU 143 Cb -0.42 -1.66 -0.06 0.00 0.03 0.00 0.00 46.19 44.09 2qxu s LEU 143 CO 0.35 0.16 1.72 -1.81 0.23 0.00 0.00 176.35 177.00 2qxu s ASP 144 N 0.37 6.57 0.00 2.29 1.01 0.10 -2.21 116.67 124.81 2qxu s ASP 144 Ca -0.09 2.24 0.00 0.00 0.71 0.00 0.00 52.55 55.41 2qxu s ASP 144 Cb -0.15 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.24 2qxu s ASP 144 CO 0.05 -1.00 0.00 0.61 0.21 0.00 0.00 175.17 175.04 2qxu n GLY 145 N 4.29 2.90 3.94 0.21 0.00 -1.26 -1.19 105.19 114.08 2qxu n GLY 145 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 2qxu n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qxu s ALA 146 N -2.73 3.37 -0.64 4.61 0.00 -0.94 -1.51 121.76 123.92 2qxu s ALA 146 Ca 0.00 -1.01 -0.25 0.00 0.00 0.00 0.00 51.96 50.70 2qxu s ALA 146 Cb 0.00 -2.46 0.05 0.00 0.00 0.00 0.00 23.12 20.71 2qxu s ALA 146 CO 0.00 -1.11 1.07 0.50 0.00 0.00 0.00 175.76 176.22 2qxu s ARG 147 N -5.09 3.24 -0.24 0.00 3.52 -0.76 -4.90 118.95 114.71 2qxu s ARG 147 Ca 0.59 -0.39 -0.19 0.00 -0.13 0.00 0.00 55.73 55.61 2qxu s ARG 147 Cb -0.11 -4.14 -0.02 0.00 -1.56 0.00 0.00 34.95 29.12 2qxu s ARG 147 CO 0.43 -1.80 0.58 -0.80 -0.81 0.00 0.00 175.30 172.90 2qxu s ASN 148 N 3.38 6.54 -0.20 -2.12 0.01 -1.26 -0.83 114.94 120.45 2qxu s ASN 148 Ca 0.30 0.66 0.01 0.00 -0.71 0.00 0.00 52.86 53.12 2qxu s ASN 148 Cb -0.12 -2.31 0.02 0.00 0.41 0.00 0.00 41.25 39.25 2qxu s ASN 148 CO 0.16 -0.30 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.59 2qxu s VAL 149 N 2.24 2.29 -0.16 1.60 1.01 0.73 -4.96 120.40 123.15 2qxu s VAL 149 Ca 0.25 -1.00 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 2qxu s VAL 149 Cb -0.16 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 2qxu s VAL 149 CO 0.09 0.42 0.15 -1.58 0.00 0.00 0.00 175.10 174.18 2qxu s GLN 150 N 1.29 3.88 0.43 2.72 0.74 -1.26 -1.67 119.66 125.78 2qxu s GLN 150 Ca 0.03 -0.15 0.04 0.00 0.05 0.00 0.00 55.36 55.32 2qxu s GLN 150 Cb -0.14 -3.32 -0.04 0.00 1.10 0.00 0.00 33.01 30.60 2qxu s GLN 150 CO -0.10 0.50 0.05 0.96 -0.55 0.00 0.00 175.29 176.15 2qxu s ILE 151 N -0.23 1.22 0.18 -2.34 -4.36 -0.15 -4.97 121.20 110.55 2qxu s ILE 151 Ca 0.12 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.53 2qxu s ILE 151 Cb -0.12 -2.52 -0.05 0.00 1.25 0.00 0.00 42.46 41.02 2qxu s ILE 151 CO 0.01 0.00 0.00 -1.00 0.24 0.00 0.00 174.94 174.19 2qxu s HIS 152 N -3.01 1.28 0.00 1.37 3.76 -1.26 -1.90 115.29 115.54 2qxu s HIS 152 Ca 0.23 -1.00 0.00 0.00 -0.15 0.00 0.00 55.06 54.14 2qxu s HIS 152 Cb 0.05 -0.73 0.00 0.00 1.11 0.00 0.00 32.58 33.01 2qxu s HIS 152 CO 0.12 -0.18 0.00 0.41 -0.85 0.00 0.00 174.74 174.24 2qxu n GLY 153 N -0.28 1.32 3.78 -2.22 0.00 -1.26 -4.95 105.19 101.59 2qxu n GLY 153 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 2qxu n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qxu s VAL 154 N -2.55 5.35 0.90 1.61 1.01 -1.26 -4.98 120.40 120.48 2qxu s VAL 154 Ca 0.00 0.40 -0.14 0.00 0.00 0.00 0.00 61.98 62.25 2qxu s VAL 154 Cb 0.00 -3.54 0.14 0.00 0.00 0.00 0.00 36.38 32.98 2qxu s VAL 154 CO 0.00 0.48 1.20 -0.83 0.00 0.00 0.00 175.10 175.95 2qxu s GLY 155 N -0.10 1.64 0.09 4.51 0.00 -1.26 -3.84 107.32 108.35 2qxu s GLY 155 Ca 0.15 -0.78 -0.25 0.00 0.00 0.00 0.00 44.72 43.83 2qxu s GLY 155 CO 0.03 -0.17 1.70 0.84 0.00 0.00 0.00 173.10 175.50 2qxu h HIS 156 N -1.43 -0.26 -0.10 1.90 2.76 -1.95 -2.61 115.15 113.46 2qxu h HIS 156 Ca -0.47 -0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 57.52 2qxu h HIS 156 Cb 1.30 0.09 -0.00 0.00 1.55 0.00 0.00 27.41 30.35 2qxu h HIS 156 CO -0.25 -0.16 -0.70 0.82 -1.30 0.00 0.00 177.93 176.35 2qxu h ILE 157 N -0.25 1.36 0.00 6.26 2.04 -2.00 -3.13 117.51 121.79 2qxu h ILE 157 Ca -0.01 -2.05 0.00 0.00 1.00 0.00 0.00 64.86 63.79 2qxu h ILE 157 Cb 0.21 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 2qxu h ILE 157 CO 0.01 0.62 0.10 1.23 0.00 0.00 0.00 178.15 180.11 2qxu h GLY 158 N 1.18 0.00 2.00 5.37 0.00 -1.87 -1.24 103.07 108.51 2qxu h GLY 158 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 2qxu h GLY 158 CO 0.12 0.00 -0.00 1.41 0.00 0.00 0.00 176.54 178.07 2qxu h LEU 159 N 0.00 0.00 -0.13 3.11 3.38 -1.42 -1.08 115.31 119.18 2qxu h LEU 159 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qxu h LEU 159 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2qxu h LEU 159 CO 0.00 0.00 -0.22 0.18 0.09 0.00 0.00 178.44 178.49 2qxu n LEU 160 N -3.60 0.42 -2.70 1.67 4.77 -0.47 -4.12 117.00 112.97 2qxu n LEU 160 Ca -0.03 0.10 -0.10 0.00 -0.03 0.00 0.00 56.01 55.95 2qxu n LEU 160 Cb 0.08 -0.27 0.03 0.00 -2.33 0.00 0.00 43.42 40.92 2qxu n LEU 160 CO 0.25 0.09 -0.12 -1.22 -1.33 0.00 0.00 177.39 175.06 2qxu n TYR 161 N -1.22 1.01 -5.05 -1.77 4.01 -0.42 -4.09 117.16 109.63 2qxu n TYR 161 Ca 0.10 -2.84 -0.32 0.00 -0.16 0.00 0.00 57.90 54.67 2qxu n TYR 161 Cb 0.32 -0.34 -0.17 0.00 -0.31 0.00 0.00 39.34 38.83 2qxu n TYR 161 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2qxu s SER 162 N -3.04 3.10 0.17 7.72 0.15 -1.14 -5.00 113.70 115.66 2qxu s SER 162 Ca 0.28 -0.57 -0.12 0.00 0.70 0.00 0.00 55.95 56.23 2qxu s SER 162 Cb 0.45 -1.42 0.07 0.00 -1.71 0.00 0.00 66.02 63.41 2qxu s SER 162 CO 0.03 0.14 1.74 0.77 1.20 0.00 0.00 173.24 177.12 2qxu h SER 163 N 6.90 0.78 -0.53 5.45 4.64 -1.95 0.84 113.55 129.67 2qxu h SER 163 Ca -0.23 -0.15 -0.02 0.00 -0.47 0.00 0.00 61.79 60.92 2qxu h SER 163 Cb 1.22 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 2qxu h SER 163 CO 0.50 0.71 0.26 -0.61 -0.87 0.00 0.00 176.83 176.81 2qxu h GLN 164 N 0.79 0.77 -0.13 4.77 4.15 -2.00 -2.36 115.11 121.10 2qxu h GLN 164 Ca 0.20 -0.11 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 2qxu h GLN 164 Cb 0.16 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 2qxu h GLN 164 CO -0.02 0.63 0.08 0.28 -1.93 0.00 0.00 178.83 177.87 2qxu h VAL 165 N 0.72 1.06 -0.73 2.39 2.07 -1.81 -2.75 116.25 117.20 2qxu h VAL 165 Ca 0.18 -0.16 0.13 0.00 0.82 0.00 0.00 66.70 67.68 2qxu h VAL 165 Cb 0.12 0.93 -0.09 0.00 -1.52 0.00 0.00 31.29 30.72 2qxu h VAL 165 CO -0.02 0.06 0.28 0.78 0.02 0.00 0.00 177.57 178.68 2qxu h ASN 166 N 0.15 0.25 -0.26 0.57 2.35 -0.58 0.54 115.58 118.60 2qxu h ASN 166 Ca 0.05 0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.88 2qxu h ASN 166 Cb 0.03 0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 2qxu h ASN 166 CO -0.01 0.10 0.09 0.28 -1.65 0.00 0.00 177.43 176.25 2qxu h SER 167 N 0.43 0.42 0.22 5.81 0.02 -1.17 -0.73 113.55 118.56 2qxu h SER 167 Ca 0.39 -0.05 -0.22 0.00 -0.84 0.00 0.00 61.79 61.07 2qxu h SER 167 Cb 0.58 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2qxu h SER 167 CO -0.39 0.42 -0.90 -0.07 -1.14 0.00 0.00 176.83 174.75 2qxu h LEU 168 N 0.46 0.62 -0.72 5.07 3.38 -0.86 -2.67 115.31 120.59 2qxu h LEU 168 Ca 0.11 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 2qxu h LEU 168 Cb 0.16 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2qxu h LEU 168 CO -0.01 1.25 0.35 0.40 0.09 0.00 0.00 178.44 180.53 2qxu h ILE 169 N 0.30 1.23 -0.62 1.22 2.04 -0.27 -0.62 117.51 120.80 2qxu h ILE 169 Ca -0.07 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 2qxu h ILE 169 Cb 1.52 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 2qxu h ILE 169 CO 0.16 0.28 0.33 0.50 0.00 0.00 0.00 178.15 179.42 2qxu h LYS 170 N 1.01 0.86 -0.45 2.37 3.64 -1.10 0.28 116.57 123.18 2qxu h LYS 170 Ca 0.25 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 2qxu h LYS 170 Cb 0.11 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 2qxu h LYS 170 CO -0.03 0.66 0.14 0.93 -2.27 0.00 0.00 179.45 178.88 2qxu h GLU 171 N 0.84 0.70 -0.16 1.90 5.08 -1.10 -1.88 114.58 119.96 2qxu h GLU 171 Ca 0.22 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2qxu h GLU 171 Cb 0.05 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2qxu h GLU 171 CO -0.03 0.67 0.08 0.78 -1.00 0.00 0.00 179.01 179.51 2qxu h GLY 172 N 0.59 0.24 2.00 -3.84 0.00 -0.82 0.45 103.07 101.70 2qxu h GLY 172 Ca 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2qxu h GLY 172 CO -0.01 0.11 -0.03 1.41 0.00 0.00 0.00 176.54 178.03 2qxu h LEU 173 N 0.14 0.00 -2.56 3.11 3.38 -0.84 -1.28 115.31 117.26 2qxu h LEU 173 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2qxu h LEU 173 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2qxu h LEU 173 CO -0.01 0.03 0.00 0.59 0.09 0.00 0.00 178.44 179.14 2qxu n ASN 174 N -3.22 3.92 0.00 -0.43 3.02 -0.72 -4.87 115.26 112.97 2qxu n ASN 174 Ca -0.01 -2.52 0.00 0.00 -0.03 0.00 0.00 54.58 52.02 2qxu n ASN 174 Cb 0.21 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 2qxu n ASN 174 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qxu n GLY 175 N 0.57 0.56 0.80 7.41 0.00 -0.49 -4.98 105.19 109.06 2qxu n GLY 175 Ca 0.18 -0.82 0.09 0.00 0.00 0.00 0.00 46.02 45.47 2qxu n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qxu n GLY 176 N -1.67 0.95 0.00 -0.02 0.00 0.15 -4.91 105.19 99.69 2qxu n GLY 176 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2qxu n GLY 176 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qxu n GLY 177 N 1.23 -0.12 3.57 -0.02 0.00 -1.26 -4.73 105.19 103.85 2qxu n GLY 177 Ca 0.16 -1.76 -0.09 0.00 0.00 0.00 0.00 46.02 44.33 2qxu n GLY 177 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2qxu s GLN 178 N -0.43 1.50 -0.29 1.61 -2.07 -0.69 -4.76 119.66 114.52 2qxu s GLN 178 Ca 0.00 -1.19 0.04 0.00 -1.82 0.00 0.00 55.36 52.39 2qxu s GLN 178 Cb 0.00 0.47 0.19 0.00 -1.09 0.00 0.00 33.01 32.58 2qxu s GLN 178 CO 0.00 -0.62 0.57 1.21 -1.32 0.00 0.00 175.29 175.13 2qxu s ASN 179 N -2.99 -1.34 0.00 12.60 3.84 -1.15 -1.41 114.94 124.49 2qxu s ASN 179 Ca 0.20 0.32 0.09 0.00 0.21 0.00 0.00 52.86 53.69 2qxu s ASN 179 Cb -0.00 1.96 0.28 0.00 -0.55 0.00 0.00 41.25 42.94 2qxu s ASN 179 CO 0.07 -0.29 1.23 0.35 -2.79 0.00 0.00 177.10 175.66 2qxu n THR 180 N 5.42 0.37 1.28 -5.21 -2.24 -0.57 -5.02 114.28 108.30 2qxu n THR 180 Ca 0.03 -0.38 0.13 0.00 -2.27 0.00 0.00 64.05 61.56 2qxu n THR 180 Cb 0.53 0.19 0.34 0.00 -2.10 0.00 0.00 70.33 69.29 2qxu n THR 180 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09