#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 5.60 0.68 0.41 0.01 -1.26 -4.98 114.94 115.40 2qxu s ASN 4 Ca 0.00 1.67 -0.16 0.00 -0.71 0.00 0.00 52.86 53.66 2qxu s ASN 4 Cb 0.00 -2.51 0.01 0.00 0.41 0.00 0.00 41.25 39.16 2qxu s ASN 4 CO 0.00 -1.29 1.22 -2.84 -1.51 0.00 0.00 177.10 172.68 2qxu s PRO 5 N -4.69 2.43 -0.11 -0.60 0.02 -1.26 -4.64 135.00 126.16 2qxu s PRO 5 Ca 0.60 1.83 0.00 0.00 0.02 0.00 0.00 61.00 63.45 2qxu s PRO 5 Cb -0.14 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.50 2qxu s PRO 5 CO 0.48 -1.63 -0.11 0.08 -0.33 0.00 0.00 177.00 175.49 2qxu s VAL 6 N -1.78 3.25 -0.24 3.83 1.01 -0.34 -0.87 120.40 125.25 2qxu s VAL 6 Ca 0.77 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 62.10 2qxu s VAL 6 Cb -0.31 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 33.73 2qxu s VAL 6 CO 0.41 0.54 -0.04 -0.69 0.00 0.00 0.00 175.10 175.33 2qxu s VAL 7 N 0.01 3.24 -0.18 2.92 1.01 -0.08 -0.25 120.40 127.06 2qxu s VAL 7 Ca -0.03 -0.72 -0.15 0.00 0.00 0.00 0.00 61.98 61.08 2qxu s VAL 7 Cb -0.14 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2qxu s VAL 7 CO 0.04 0.30 0.37 -0.04 0.00 0.00 0.00 175.10 175.76 2qxu s MET 8 N 1.42 4.22 -0.28 2.72 -1.94 0.74 -2.15 119.30 124.02 2qxu s MET 8 Ca 0.03 0.18 -0.03 0.00 -1.71 0.00 0.00 55.69 54.17 2qxu s MET 8 Cb -0.15 -3.49 0.04 0.00 2.01 0.00 0.00 34.83 33.24 2qxu s MET 8 CO -0.03 0.08 -0.01 0.08 -0.01 0.00 0.00 175.02 175.13 2qxu s VAL 9 N 0.94 3.11 0.79 -6.03 1.01 -0.08 -1.87 120.40 118.26 2qxu s VAL 9 Ca 0.19 -1.17 -0.12 0.00 0.00 0.00 0.00 61.98 60.88 2qxu s VAL 9 Cb -0.14 -2.69 0.07 0.00 0.00 0.00 0.00 36.38 33.61 2qxu s VAL 9 CO 0.07 0.01 1.16 -1.38 0.00 0.00 0.00 175.10 174.96 2qxu s HIS 10 N 1.31 3.02 0.00 5.22 -3.43 -1.26 -0.97 115.29 119.17 2qxu s HIS 10 Ca -0.02 0.81 0.00 0.00 -0.80 0.00 0.00 55.06 55.04 2qxu s HIS 10 Cb -0.18 -3.42 0.00 0.00 -1.43 0.00 0.00 32.58 27.55 2qxu s HIS 10 CO -0.02 -1.67 0.00 0.41 -2.00 0.00 0.00 174.74 171.46 2qxu n GLY 11 N -3.25 1.78 3.64 -1.38 0.00 -1.13 -3.38 105.19 101.47 2qxu n GLY 11 Ca 0.08 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 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 2.53 3.36 0.00 -0.61 1.01 -1.26 -1.89 121.20 124.34 2qxu s ILE 12 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.07 2qxu s ILE 12 Cb 0.00 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.14 2qxu s ILE 12 CO 0.00 -0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.45 2qxu n GLY 13 N 4.67 0.71 2.97 6.18 0.00 -0.73 -5.00 105.19 113.99 2qxu n GLY 13 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.00 -2.33 3.57 -0.02 0.00 -0.79 -5.10 105.19 98.51 2qxu n GLY 14 Ca 0.00 -1.55 -0.10 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.30 -1.26 0.36 4.61 0.00 -1.26 -4.88 121.76 116.03 2qxu s ALA 15 Ca 0.59 0.02 0.12 0.00 0.00 0.00 0.00 51.96 52.70 2qxu s ALA 15 Cb -0.04 0.86 0.92 0.00 0.00 0.00 0.00 23.12 24.85 2qxu s ALA 15 CO 0.44 -0.85 1.82 0.77 0.00 0.00 0.00 175.76 177.95 2qxu h SER 16 N 2.08 0.59 0.20 0.00 0.02 -1.91 -0.46 113.55 114.07 2qxu h SER 16 Ca -0.28 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2qxu h SER 16 Cb 1.28 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.77 2qxu h SER 16 CO 0.34 0.23 -0.02 -0.26 -1.14 0.00 0.00 176.83 175.98 2qxu h PHE 17 N 0.59 0.00 0.00 3.45 0.04 -1.97 -2.31 116.94 116.73 2qxu h PHE 17 Ca 0.52 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.29 2qxu h PHE 17 Cb 1.04 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.19 2qxu h PHE 17 CO -0.00 0.02 -0.02 -0.91 -0.60 0.00 0.00 178.31 176.80 2qxu h ASN 18 N 0.00 0.00 -0.35 2.17 2.35 -1.49 -1.97 115.58 116.30 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 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2qxu h ASN 18 CO 0.00 0.02 0.00 0.49 -1.65 0.00 0.00 177.43 176.30 2qxu n PHE 19 N -4.42 0.47 -0.25 1.19 3.72 -0.87 -4.41 117.46 112.90 2qxu n PHE 19 Ca -0.03 -0.23 0.04 0.00 -0.05 0.00 0.00 57.45 57.18 2qxu n PHE 19 Cb 0.11 0.00 0.17 0.00 -0.94 0.00 0.00 39.48 38.82 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 3.66 0.99 -0.30 4.37 0.00 -1.51 0.69 119.26 127.16 2qxu h ALA 20 Ca 0.00 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2qxu h ALA 20 Cb 0.47 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2qxu h ALA 20 CO 0.00 -0.23 -0.07 0.78 0.00 0.00 0.00 179.25 179.73 2qxu h GLY 21 N 0.40 0.62 1.61 0.00 0.00 -1.80 -1.83 103.07 102.08 2qxu h GLY 21 Ca 0.40 -0.51 -0.10 0.00 0.00 0.00 0.00 47.33 47.12 2qxu h GLY 21 CO -0.41 0.47 -0.27 -2.22 0.00 0.00 0.00 176.54 174.11 2qxu h ILE 22 N 0.34 1.27 -0.11 2.60 2.04 -1.58 -1.40 117.51 120.66 2qxu h ILE 22 Ca 0.08 -1.29 -0.02 0.00 1.00 0.00 0.00 64.86 64.63 2qxu h ILE 22 Cb 0.56 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 2qxu h ILE 22 CO 0.03 0.41 0.00 0.50 0.00 0.00 0.00 178.15 179.09 2qxu h LYS 23 N 0.40 0.19 -0.95 2.37 3.64 -0.81 -0.98 116.57 120.44 2qxu h LYS 23 Ca 0.06 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2qxu h LYS 23 Cb 0.68 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.43 2qxu h LYS 23 CO 0.05 0.43 0.62 0.77 -2.27 0.00 0.00 179.45 179.06 2qxu h SER 24 N -0.07 1.07 0.16 4.20 0.02 -1.16 -1.07 113.55 116.69 2qxu h SER 24 Ca 0.03 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2qxu h SER 24 Cb 0.34 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2qxu h SER 24 CO 0.00 0.76 -0.08 0.22 -1.14 0.00 0.00 176.83 176.60 2qxu h TYR 25 N 1.26 -0.20 -0.79 3.45 3.20 -1.07 -1.75 116.97 121.07 2qxu h TYR 25 Ca 0.36 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.25 2qxu h TYR 25 Cb -0.10 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.19 2qxu h TYR 25 CO -0.01 -0.02 0.51 -0.07 -1.64 0.00 0.00 178.16 176.93 2qxu h LEU 26 N -0.34 0.85 -0.66 2.82 3.38 -0.88 -1.10 115.31 119.40 2qxu h LEU 26 Ca -0.02 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2qxu h LEU 26 Cb 0.26 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2qxu h LEU 26 CO 0.04 0.60 0.43 0.58 0.09 0.00 0.00 178.44 180.17 2qxu h VAL 27 N 1.01 1.15 0.00 1.22 2.07 -1.13 -0.70 116.25 119.88 2qxu h VAL 27 Ca 0.31 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 2qxu h VAL 27 Cb -0.03 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 29.94 2qxu h VAL 27 CO -0.10 0.16 -0.05 0.77 0.02 0.00 0.00 177.57 178.37 2qxu h SER 28 N 0.87 0.00 -0.25 0.57 4.64 -0.47 -2.68 113.55 116.23 2qxu h SER 28 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2qxu h SER 28 Cb -0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2qxu h SER 28 CO -0.06 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 175.95 2qxu n GLN 29 N -3.26 2.17 0.00 4.77 1.13 -0.39 -4.94 117.38 116.86 2qxu n GLN 29 Ca -0.01 -1.76 0.00 0.00 -1.94 0.00 0.00 57.00 53.29 2qxu n GLN 29 Cb 0.24 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.13 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 1.34 1.01 3.76 1.08 0.00 -0.91 -5.05 105.19 106.42 2qxu n GLY 30 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 3.75 0.11 1.61 0.51 -0.49 -4.98 118.94 117.44 2qxu s TRP 31 Ca 0.00 1.41 -0.31 0.00 -2.12 0.00 0.00 56.10 55.08 2qxu s TRP 31 Cb 0.00 -2.74 -0.08 0.00 -0.81 0.00 0.00 33.47 29.84 2qxu s TRP 31 CO 0.00 0.34 1.48 -1.12 -0.51 0.00 0.00 176.95 177.14 2qxu s SER 32 N -0.27 6.72 0.35 2.95 0.01 -1.26 -4.01 113.70 118.19 2qxu s SER 32 Ca 0.36 2.41 0.04 0.00 1.31 0.00 0.00 55.95 60.06 2qxu s SER 32 Cb -0.20 -2.58 0.67 0.00 0.21 0.00 0.00 66.02 64.12 2qxu s SER 32 CO 0.22 -0.75 1.98 -0.09 0.41 0.00 0.00 173.24 175.01 2qxu h ARG 33 N 7.16 0.80 0.00 12.44 9.65 -1.95 -0.40 114.38 142.08 2qxu h ARG 33 Ca -0.42 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 2qxu h ARG 33 Cb 1.20 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.60 2qxu h ARG 33 CO 0.89 0.53 0.00 -0.40 2.80 0.00 0.00 179.97 183.79 2qxu n ASP 34 N -4.46 0.00 -0.70 -3.80 5.75 -1.26 -2.64 116.55 109.44 2qxu n ASP 34 Ca 0.09 -0.58 0.08 0.00 -0.01 0.00 0.00 54.79 54.36 2qxu n ASP 34 Cb 0.13 -0.10 0.21 0.00 -1.03 0.00 0.00 41.12 40.33 2qxu n ASP 34 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qxu n LYS 35 N -1.10 2.73 -3.95 0.11 5.02 -0.17 -4.87 118.16 115.93 2qxu n LYS 35 Ca 0.18 -2.58 -0.34 0.00 -2.02 0.00 0.00 58.31 53.55 2qxu n LYS 35 Cb 0.14 -1.64 -0.14 0.00 -0.02 0.00 0.00 35.03 33.37 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 -2.34 3.91 0.20 -0.35 1.43 -1.08 -1.20 118.68 119.24 2qxu s LEU 36 Ca 0.35 -1.41 0.08 0.00 -1.03 0.00 0.00 54.13 52.13 2qxu s LEU 36 Cb 0.27 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 2qxu s LEU 36 CO 0.09 -0.27 -0.03 -0.31 0.23 0.00 0.00 176.35 176.07 2qxu s TYR 37 N 1.18 2.74 -0.06 0.29 1.51 0.65 -4.98 117.35 118.69 2qxu s TYR 37 Ca -0.04 -0.18 -0.01 0.00 -1.01 0.00 0.00 57.07 55.82 2qxu s TYR 37 Cb -0.20 -1.31 0.03 0.00 -0.11 0.00 0.00 41.96 40.37 2qxu s TYR 37 CO -0.03 0.54 -0.01 0.00 -1.11 0.00 0.00 175.55 174.94 2qxu s ALA 38 N -1.86 0.65 0.49 3.71 0.00 -1.26 -0.19 121.76 123.30 2qxu s ALA 38 Ca 0.27 -0.08 -0.19 0.00 0.00 0.00 0.00 51.96 51.97 2qxu s ALA 38 Cb -0.08 -0.64 -0.08 0.00 0.00 0.00 0.00 23.12 22.31 2qxu s ALA 38 CO 0.18 -0.33 1.00 0.54 0.00 0.00 0.00 175.76 177.15 2qxu s VAL 39 N 1.67 4.16 -0.09 0.00 0.11 -0.78 -4.90 120.40 120.57 2qxu s VAL 39 Ca 0.00 1.22 0.05 0.00 -2.93 0.00 0.00 61.98 60.32 2qxu s VAL 39 Cb -0.13 -3.55 -0.00 0.00 -1.53 0.00 0.00 36.38 31.17 2qxu s VAL 39 CO -0.04 -0.41 -0.24 -1.81 -3.33 0.00 0.00 175.10 169.27 2qxu s ASP 40 N -2.42 3.09 0.00 3.54 1.01 -1.26 -4.52 116.67 116.12 2qxu s ASP 40 Ca 0.63 -0.54 0.03 0.00 0.71 0.00 0.00 52.55 53.38 2qxu s ASP 40 Cb -0.12 -1.25 -0.03 0.00 1.01 0.00 0.00 42.92 42.52 2qxu s ASP 40 CO 0.23 0.18 -0.06 -0.36 0.21 0.00 0.00 175.17 175.38 2qxu s PHE 41 N 0.19 2.92 -0.30 4.23 0.08 -1.26 -4.99 117.98 118.85 2qxu s PHE 41 Ca -0.14 -0.02 0.23 0.00 0.12 0.00 0.00 56.93 57.12 2qxu s PHE 41 Cb -0.17 -1.62 0.09 0.00 -0.57 0.00 0.00 43.02 40.76 2qxu s PHE 41 CO 0.07 0.39 1.18 0.11 -0.10 0.00 0.00 175.22 176.88 2qxu h TRP 42 N 4.51 0.00 -2.94 0.36 5.08 -2.00 -3.43 115.95 117.53 2qxu h TRP 42 Ca -0.48 0.00 -0.62 0.00 1.08 0.00 0.00 58.89 58.86 2qxu h TRP 42 Cb 1.17 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 27.19 2qxu h TRP 42 CO 0.58 0.00 0.51 0.34 -1.28 0.00 0.00 178.44 178.60 2qxu s ASP 43 N -5.48 6.25 0.63 0.11 -1.08 -1.26 -4.89 116.67 110.95 2qxu s ASP 43 Ca 0.02 -0.70 0.37 0.00 -0.52 0.00 0.00 52.55 51.71 2qxu s ASP 43 Cb 0.09 -2.42 2.09 0.00 -1.46 0.00 0.00 42.92 41.22 2qxu s ASP 43 CO 0.76 -1.31 2.28 0.11 0.52 0.00 0.00 175.17 177.53 2qxu h LYS 44 N 9.41 0.00 -0.01 4.34 1.79 -1.98 -1.31 116.57 128.81 2qxu h LYS 44 Ca -0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 2qxu h LYS 44 Cb 1.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 2qxu h LYS 44 CO 1.12 0.00 -0.26 0.25 -1.08 0.00 0.00 179.45 179.48 2qxu n THR 45 N -3.42 0.00 -3.00 -0.16 -2.24 -1.26 -1.77 114.28 102.43 2qxu n THR 45 Ca -0.02 -0.16 -0.22 0.00 -2.27 0.00 0.00 64.05 61.37 2qxu n THR 45 Cb 0.12 0.55 0.03 0.00 -2.10 0.00 0.00 70.33 68.93 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 1.34 -0.52 3.76 3.38 0.00 -0.49 -4.80 105.19 107.85 2qxu n GLY 46 Ca 0.12 0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.15 2.48 0.35 2.61 -4.23 -1.26 -4.81 115.64 107.62 2qxu s THR 47 Ca 0.29 0.38 0.03 0.00 -1.18 0.00 0.00 61.69 61.21 2qxu s THR 47 Cb -0.13 -3.21 0.23 0.00 1.34 0.00 0.00 72.50 70.73 2qxu s THR 47 CO 0.35 0.02 1.97 0.78 -0.54 0.00 0.00 174.62 177.20 2qxu h ASN 48 N 2.05 0.63 -0.68 3.99 2.35 -1.94 0.14 115.58 122.12 2qxu h ASN 48 Ca -0.50 -0.05 0.09 0.00 -0.55 0.00 0.00 56.30 55.28 2qxu h ASN 48 Cb 1.27 -0.16 -0.07 0.00 0.05 0.00 0.00 38.32 39.41 2qxu h ASN 48 CO 0.60 0.53 0.33 0.22 -1.65 0.00 0.00 177.43 177.46 2qxu h TYR 49 N 0.72 0.60 0.13 1.19 3.20 -2.01 -0.28 116.97 120.52 2qxu h TYR 49 Ca 0.18 0.03 -0.32 0.00 3.14 0.00 0.00 58.73 61.76 2qxu h TYR 49 Cb 0.05 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 2qxu h TYR 49 CO 0.00 0.22 -1.68 -0.91 -1.64 0.00 0.00 178.16 174.16 2qxu h ASN 50 N 0.58 0.43 0.24 -2.11 2.35 -1.86 -3.41 115.58 111.80 2qxu h ASN 50 Ca 0.33 -0.88 -0.21 0.00 -0.55 0.00 0.00 56.30 54.99 2qxu h ASN 50 Cb 0.33 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2qxu h ASN 50 CO -0.26 1.73 -0.83 0.78 -1.65 0.00 0.00 177.43 177.21 2qxu h ASN 51 N -0.13 0.56 -0.25 5.81 4.21 -0.94 -3.29 115.58 121.55 2qxu h ASN 51 Ca -0.36 -0.41 0.05 0.00 1.21 0.00 0.00 56.30 56.80 2qxu h ASN 51 Cb 1.90 -0.17 -0.08 0.00 -1.12 0.00 0.00 38.32 38.86 2qxu h ASN 51 CO 0.08 1.18 -0.42 1.23 -1.29 0.00 0.00 177.43 178.20 2qxu h GLY 52 N 1.17 -0.65 0.90 2.83 0.00 -1.24 0.25 103.07 106.34 2qxu h GLY 52 Ca -0.06 0.53 0.03 0.00 0.00 0.00 0.00 47.33 47.84 2qxu h GLY 52 CO 0.15 -0.20 0.65 -2.55 0.00 0.00 0.00 176.54 174.58 2qxu h PRO 53 N -0.42 1.23 -0.33 4.80 0.11 -1.79 -0.50 132.00 135.10 2qxu h PRO 53 Ca 0.10 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 2qxu h PRO 53 Cb 0.61 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 2qxu h PRO 53 CO -0.47 0.82 0.16 0.28 -0.21 0.00 0.00 178.00 178.57 2qxu h VAL 54 N 1.27 1.16 -0.34 3.15 2.07 -1.40 -1.41 116.25 120.76 2qxu h VAL 54 Ca 0.39 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 2qxu h VAL 54 Cb -0.03 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 2qxu h VAL 54 CO -0.12 0.17 -0.01 0.25 0.02 0.00 0.00 177.57 177.88 2qxu h LEU 55 N 0.39 0.49 -0.39 2.57 5.85 -0.02 -1.15 115.31 123.06 2qxu h LEU 55 Ca 0.11 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 2qxu h LEU 55 Cb 0.12 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2qxu h LEU 55 CO -0.01 0.57 0.07 -1.28 -0.34 0.00 0.00 178.44 177.45 2qxu h SER 56 N 0.50 0.61 -0.44 1.25 0.87 -0.63 -0.78 113.55 114.93 2qxu h SER 56 Ca 0.11 -0.26 -0.12 0.00 -1.23 0.00 0.00 61.79 60.29 2qxu h SER 56 Cb 0.35 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 2qxu h SER 56 CO 0.01 0.71 -0.16 0.03 -0.53 0.00 0.00 176.83 176.90 2qxu h ARG 57 N 0.49 0.93 -0.36 2.24 3.08 -0.98 -1.86 114.38 117.92 2qxu h ARG 57 Ca 0.12 -0.36 -0.05 0.00 0.07 0.00 0.00 59.98 59.76 2qxu h ARG 57 Cb 0.36 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2qxu h ARG 57 CO 0.01 1.02 0.05 0.35 -1.07 0.00 0.00 179.97 180.32 2qxu h PHE 58 N 0.82 0.65 -0.48 3.04 3.57 -1.07 -1.05 116.94 122.42 2qxu h PHE 58 Ca 0.12 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2qxu h PHE 58 Cb 0.71 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 2qxu h PHE 58 CO 0.04 0.67 0.22 0.28 -2.23 0.00 0.00 178.31 177.29 2qxu h VAL 59 N 0.44 1.20 -0.73 1.41 2.07 -1.08 -1.45 116.25 118.11 2qxu h VAL 59 Ca 0.11 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 67.05 2qxu h VAL 59 Cb 0.38 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 2qxu h VAL 59 CO 0.01 0.22 0.48 -0.61 0.02 0.00 0.00 177.57 177.69 2qxu h GLN 60 N 0.64 0.96 -0.56 1.57 5.75 -1.14 -1.08 115.11 121.24 2qxu h GLN 60 Ca 0.16 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.58 2qxu h GLN 60 Cb 0.15 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 2qxu h GLN 60 CO -0.02 0.63 0.25 -0.22 -2.65 0.00 0.00 178.83 176.83 2qxu h LYS 61 N 0.99 0.81 -0.64 1.69 3.64 -0.67 0.42 116.57 122.81 2qxu h LYS 61 Ca 0.27 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2qxu h LYS 61 Cb -0.11 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.54 2qxu h LYS 61 CO -0.06 0.68 0.34 0.28 -2.27 0.00 0.00 179.45 178.43 2qxu h VAL 62 N 0.76 1.20 -0.51 2.00 2.07 -0.33 -1.44 116.25 119.99 2qxu h VAL 62 Ca 0.19 -0.52 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 2qxu h VAL 62 Cb 0.15 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 2qxu h VAL 62 CO -0.02 0.23 0.06 -0.07 0.02 0.00 0.00 177.57 177.79 2qxu h LEU 63 N 0.87 0.83 -2.39 2.57 3.38 -0.94 -1.19 115.31 118.45 2qxu h LEU 63 Ca 0.22 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2qxu h LEU 63 Cb 0.05 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 2qxu h LEU 63 CO -0.03 0.90 -0.02 0.44 0.09 0.00 0.00 178.44 179.81 2qxu h ASP 64 N 0.74 0.00 0.06 -0.43 3.32 -0.41 0.28 116.42 119.98 2qxu h ASP 64 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2qxu h ASP 64 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2qxu h ASP 64 CO 0.01 0.02 -1.86 -0.62 -1.72 0.00 0.00 179.24 175.08 2qxu n GLU 65 N -3.81 0.60 -0.02 3.56 1.02 -0.59 -4.61 120.64 116.79 2qxu n GLU 65 Ca -0.03 -0.16 0.03 0.00 -0.02 0.00 0.00 57.16 56.98 2qxu n GLU 65 Cb 0.11 -1.54 -0.09 0.00 -0.02 0.00 0.00 31.44 29.90 2qxu n GLU 65 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2qxu n THR 66 N -2.22 0.18 -0.95 2.62 -2.24 -0.48 -5.01 114.28 106.19 2qxu n THR 66 Ca -0.03 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 2qxu n THR 66 Cb 0.55 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 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 1.98 0.95 3.81 3.38 0.00 0.06 -5.02 105.19 110.34 2qxu n GLY 67 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.79 2.60 -0.15 4.61 0.00 -1.26 -4.97 121.76 118.81 2qxu s ALA 68 Ca 0.00 0.17 0.18 0.00 0.00 0.00 0.00 51.96 52.31 2qxu s ALA 68 Cb 0.00 -3.20 -0.10 0.00 0.00 0.00 0.00 23.12 19.81 2qxu s ALA 68 CO 0.00 -1.28 0.87 1.17 0.00 0.00 0.00 175.76 176.52 2qxu n LYS 69 N -3.06 0.62 -3.92 0.00 4.81 -1.26 -4.80 118.16 110.54 2qxu n LYS 69 Ca 0.08 0.19 -0.08 0.00 -0.87 0.00 0.00 58.31 57.63 2qxu n LYS 69 Cb 0.53 -1.81 -0.08 0.00 0.02 0.00 0.00 35.03 33.69 2qxu n LYS 69 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2qxu s LYS 70 N -3.04 0.78 0.30 1.64 1.02 -1.26 -4.63 119.74 114.54 2qxu s LYS 70 Ca -0.02 -1.03 0.11 0.00 0.02 0.00 0.00 55.97 55.04 2qxu s LYS 70 Cb 0.09 0.31 -0.05 0.00 -0.52 0.00 0.00 37.83 37.65 2qxu s LYS 70 CO 0.81 -0.22 -0.12 0.14 -0.92 0.00 0.00 175.35 175.03 2qxu s VAL 71 N -3.88 2.62 0.18 3.17 -7.23 0.24 -4.27 120.40 111.24 2qxu s VAL 71 Ca 0.05 -2.23 0.05 0.00 -1.81 0.00 0.00 61.98 58.04 2qxu s VAL 71 Cb 0.06 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 2qxu s VAL 71 CO -0.11 -0.33 0.18 -1.81 -0.31 0.00 0.00 175.10 172.72 2qxu s ASP 72 N -3.58 5.68 -0.03 4.85 1.01 -0.05 -1.62 116.67 122.92 2qxu s ASP 72 Ca 0.31 -0.10 0.04 0.00 0.71 0.00 0.00 52.55 53.51 2qxu s ASP 72 Cb -0.03 -1.52 -0.00 0.00 1.01 0.00 0.00 42.92 42.37 2qxu s ASP 72 CO 0.17 0.04 -0.15 -0.63 0.21 0.00 0.00 175.17 174.81 2qxu s ILE 73 N -1.84 1.23 -0.25 0.77 -1.09 0.10 -0.91 121.20 119.22 2qxu s ILE 73 Ca 0.32 -0.62 0.02 0.00 -2.23 0.00 0.00 60.65 58.15 2qxu s ILE 73 Cb -0.10 -1.06 0.06 0.00 -1.58 0.00 0.00 42.46 39.78 2qxu s ILE 73 CO 0.25 0.36 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.52 2qxu s VAL 74 N 0.01 2.04 0.01 2.92 1.01 -0.92 -0.15 120.40 125.33 2qxu s VAL 74 Ca -0.02 -1.51 0.07 0.00 0.00 0.00 0.00 61.98 60.52 2qxu s VAL 74 Cb -0.10 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 2qxu s VAL 74 CO 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 175.10 174.91 2qxu s ALA 75 N 1.17 2.45 -0.07 5.51 0.00 0.40 -0.91 121.76 130.31 2qxu s ALA 75 Ca -0.07 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 50.78 2qxu s ALA 75 Cb -0.19 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 2qxu s ALA 75 CO -0.06 0.55 -0.17 -1.58 0.00 0.00 0.00 175.76 174.50 2qxu s HIS 76 N -0.78 2.65 0.00 0.00 2.46 -0.15 0.61 115.29 120.08 2qxu s HIS 76 Ca 0.12 -0.46 0.00 0.00 0.47 0.00 0.00 55.06 55.19 2qxu s HIS 76 Cb -0.10 -1.68 0.00 0.00 -0.13 0.00 0.00 32.58 30.67 2qxu s HIS 76 CO 0.02 -0.04 0.00 0.45 -2.47 0.00 0.00 174.74 172.70 2qxu n SER 77 N 2.83 0.00 0.21 9.88 2.88 -0.68 0.02 113.62 128.76 2qxu n SER 77 Ca -0.17 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.55 2qxu n SER 77 Cb 0.52 0.00 0.83 0.00 -0.75 0.00 0.00 64.21 64.82 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 -0.24 -1.46 1.85 -1.86 0.13 114.93 113.36 2qxu h MET 78 Ca 0.00 0.00 0.07 0.00 -0.61 0.00 0.00 59.70 59.16 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 0.17 0.78 -0.40 0.00 0.00 176.91 177.46 2qxu h GLY 79 N 0.00 0.00 1.06 1.39 0.00 -0.42 -0.94 103.07 104.16 2qxu h GLY 79 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.32 2qxu h GLY 79 CO -0.00 0.00 -0.10 -1.33 0.00 0.00 0.00 176.54 175.10 2qxu h GLY 80 N 0.00 1.03 0.95 4.60 0.00 -0.88 -1.58 103.07 107.19 2qxu h GLY 80 Ca 0.11 -0.84 -0.05 0.00 0.00 0.00 0.00 47.33 46.55 2qxu h GLY 80 CO -0.00 0.77 0.06 0.00 0.00 0.00 0.00 176.54 177.37 2qxu h ALA 81 N 0.90 0.56 -0.74 3.60 0.00 -1.30 -2.19 119.26 120.10 2qxu h ALA 81 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2qxu h ALA 81 Cb 0.66 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2qxu h ALA 81 CO 0.05 0.29 0.47 -0.91 0.00 0.00 0.00 179.25 179.14 2qxu h ASN 82 N 0.56 0.88 -0.30 0.00 2.35 -1.26 -0.47 115.58 117.34 2qxu h ASN 82 Ca 0.13 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2qxu h ASN 82 Cb 0.39 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 2qxu h ASN 82 CO 0.01 0.66 0.16 0.74 -1.65 0.00 0.00 177.43 177.35 2qxu h THR 83 N 1.01 1.14 -0.43 2.81 2.02 -1.17 -0.18 112.91 118.11 2qxu h THR 83 Ca 0.27 -0.37 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 2qxu h THR 83 Cb -0.07 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 2qxu h THR 83 CO -0.05 0.14 0.03 -0.07 0.37 0.00 0.00 175.52 175.94 2qxu h LEU 84 N 0.36 0.64 -0.52 2.58 3.38 -1.11 -1.46 115.31 119.18 2qxu h LEU 84 Ca 0.10 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2qxu h LEU 84 Cb 0.08 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2qxu h LEU 84 CO -0.02 0.69 -0.06 0.22 0.09 0.00 0.00 178.44 179.37 2qxu h TYR 85 N 0.65 1.06 -0.85 1.13 3.20 -0.75 0.48 116.97 121.89 2qxu h TYR 85 Ca 0.14 -0.21 -0.03 0.00 3.14 0.00 0.00 58.73 61.77 2qxu h TYR 85 Cb 0.36 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 2qxu h TYR 85 CO 0.02 0.99 0.42 -0.92 -1.64 0.00 0.00 178.16 177.03 2qxu h TYR 86 N 0.83 1.22 -0.10 -3.82 3.20 -0.61 -1.14 116.97 116.54 2qxu h TYR 86 Ca 0.14 -0.05 -0.24 0.00 3.14 0.00 0.00 58.73 61.72 2qxu h TYR 86 Cb 0.60 -0.38 0.01 0.00 1.54 0.00 0.00 36.73 38.51 2qxu h TYR 86 CO 0.04 0.87 -0.87 0.82 -1.64 0.00 0.00 178.16 177.39 2qxu h ILE 87 N 1.21 1.28 -0.00 1.81 2.04 -1.04 -2.50 117.51 120.29 2qxu h ILE 87 Ca 0.29 -2.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.06 2qxu h ILE 87 Cb 0.10 2.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 2qxu h ILE 87 CO -0.04 0.65 -0.09 0.50 0.00 0.00 0.00 178.15 179.17 2qxu h LYS 88 N 0.49 0.07 0.00 2.37 3.64 -0.77 -3.27 116.57 119.10 2qxu h LYS 88 Ca -0.08 -0.07 -0.20 0.00 -1.27 0.00 0.00 60.65 59.04 2qxu h LYS 88 Cb 1.50 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.30 2qxu h LYS 88 CO 0.17 0.81 -2.07 0.09 -2.27 0.00 0.00 179.45 176.18 2qxu n ASN 89 N -4.65 0.68 0.00 4.20 5.03 -0.44 -5.02 115.26 115.05 2qxu n ASN 89 Ca -0.09 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.36 2qxu n ASN 89 Cb 0.42 1.29 0.00 0.00 -1.02 0.00 0.00 39.78 40.47 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 -2.46 0.00 -1.55 3.41 4.77 -0.98 -5.02 117.00 115.17 2qxu n LEU 90 Ca -0.19 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 55.87 2qxu n LEU 90 Cb 0.85 0.00 0.34 0.00 -2.33 0.00 0.00 43.42 42.28 2qxu n LEU 90 CO 0.38 0.00 0.79 -0.90 -1.33 0.00 0.00 177.39 176.33 2qxu n ASP 91 N 0.00 4.61 0.12 -1.43 5.75 -1.24 -4.46 116.55 119.90 2qxu n ASP 91 Ca 0.00 -2.49 0.13 0.00 -0.01 0.00 0.00 54.79 52.42 2qxu n ASP 91 Cb 0.00 -0.58 0.43 0.00 -1.03 0.00 0.00 41.12 39.95 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 1.00 -1.57 0.53 6.12 0.00 -0.98 -4.12 105.19 106.17 2qxu n GLY 92 Ca 0.24 0.02 0.36 0.00 0.00 0.00 0.00 46.02 46.64 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 3.70 0.45 -1.03 -0.02 0.00 -1.77 -1.86 103.07 102.53 2qxu h GLY 93 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 2qxu h GLY 93 CO 0.00 -0.09 -0.43 1.16 0.00 0.00 0.00 176.54 177.18 2qxu n ASN 94 N -4.31 1.42 0.00 0.19 0.23 -1.26 0.02 115.26 111.55 2qxu n ASN 94 Ca 0.30 -2.88 0.00 0.00 -0.53 0.00 0.00 54.58 51.48 2qxu n ASN 94 Cb 1.33 -0.38 0.00 0.00 -2.08 0.00 0.00 39.78 38.65 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 -0.69 -0.21 -4.96 -3.83 5.02 -0.71 -4.81 118.16 107.98 2qxu n LYS 95 Ca 0.11 -0.63 -0.28 0.00 -2.02 0.00 0.00 58.31 55.49 2qxu n LYS 95 Cb 0.76 -0.95 -0.16 0.00 -0.02 0.00 0.00 35.03 34.65 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 -0.17 1.62 0.00 -0.18 1.01 -1.18 -0.59 120.40 120.91 2qxu s VAL 96 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.17 2qxu s VAL 96 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.98 2qxu s VAL 96 CO 0.00 0.46 0.00 0.00 0.00 0.00 0.00 175.10 175.56 2qxu n ALA 97 N 3.21 0.88 -2.84 5.51 0.00 -0.64 -4.71 120.51 121.93 2qxu n ALA 97 Ca -0.19 -0.17 -0.34 0.00 0.00 0.00 0.00 53.44 52.75 2qxu n ALA 97 Cb 0.53 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.87 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 -4.09 5.13 -0.07 0.00 0.01 -1.26 -1.54 114.94 113.11 2qxu s ASN 98 Ca 0.00 0.00 0.04 0.00 -0.71 0.00 0.00 52.86 52.20 2qxu s ASN 98 Cb 0.00 -1.73 -0.00 0.00 0.41 0.00 0.00 41.25 39.93 2qxu s ASN 98 CO 0.00 0.23 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.92 2qxu s VAL 99 N -0.02 1.82 -0.11 1.60 1.01 -0.03 0.02 120.40 124.69 2qxu s VAL 99 Ca 0.03 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 2qxu s VAL 99 Cb -0.13 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 34.71 2qxu s VAL 99 CO 0.02 0.51 -0.08 -0.69 0.00 0.00 0.00 175.10 174.86 2qxu s VAL 100 N 0.19 1.03 -0.00 2.92 1.01 0.79 -1.47 120.40 124.87 2qxu s VAL 100 Ca -0.11 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.58 2qxu s VAL 100 Cb -0.15 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 2qxu s VAL 100 CO 0.06 0.37 -0.03 0.42 0.00 0.00 0.00 175.10 175.91 2qxu s THR 101 N 1.61 3.94 -0.28 3.92 -4.23 -0.44 -0.45 115.64 119.71 2qxu s THR 101 Ca 0.03 -0.67 0.01 0.00 -1.18 0.00 0.00 61.69 59.88 2qxu s THR 101 Cb -0.13 -2.74 0.06 0.00 1.34 0.00 0.00 72.50 71.03 2qxu s THR 101 CO -0.07 0.39 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.58 2qxu s LEU 102 N -1.49 3.67 -1.50 4.79 1.43 0.20 -1.03 118.68 124.76 2qxu s LEU 102 Ca 0.18 -1.36 -0.13 0.00 -1.03 0.00 0.00 54.13 51.79 2qxu s LEU 102 Cb -0.11 -1.62 0.08 0.00 0.03 0.00 0.00 46.19 44.57 2qxu s LEU 102 CO 0.09 -0.23 0.82 0.61 0.23 0.00 0.00 176.35 177.87 2qxu n GLY 103 N 4.51 -0.49 3.76 -3.19 0.00 0.28 -1.69 105.19 108.36 2qxu n GLY 103 Ca -0.13 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.10 2.81 -1.30 -0.02 0.00 -1.26 -3.11 107.32 101.33 2qxu s GLY 104 Ca 0.58 1.16 -0.06 0.00 0.00 0.00 0.00 44.72 46.40 2qxu s GLY 104 CO 0.72 1.91 2.27 0.00 0.00 0.00 0.00 173.10 178.00 2qxu n ALA 105 N 1.51 6.52 -0.09 3.20 0.00 -0.68 -3.24 120.51 127.73 2qxu n ALA 105 Ca 0.02 -4.15 -0.12 0.00 0.00 0.00 0.00 53.44 49.19 2qxu n ALA 105 Cb 0.42 -2.78 -0.04 0.00 0.00 0.00 0.00 19.45 17.05 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 4.79 0.55 0.00 0.00 2.35 -1.64 -3.18 115.58 118.44 2qxu h ASN 106 Ca 0.64 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 2qxu h ASN 106 Cb 0.36 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2qxu h ASN 106 CO 1.49 0.82 0.00 0.54 -1.65 0.00 0.00 177.43 178.63 2qxu n ARG 107 N -4.48 0.42 0.24 0.81 1.74 -0.08 -1.06 116.66 114.24 2qxu n ARG 107 Ca -0.04 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.17 2qxu n ARG 107 Cb 0.34 -1.41 0.48 0.00 -1.02 0.00 0.00 32.46 30.85 2qxu n ARG 107 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2qxu h LEU 108 N 0.00 0.00 0.00 0.55 3.38 -1.82 -3.33 115.31 114.09 2qxu h LEU 108 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 2qxu h LEU 108 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2qxu h LEU 108 CO 0.00 0.12 -1.81 0.41 0.09 0.00 0.00 178.44 177.25 2qxu n THR 109 N -3.23 0.80 -3.50 0.22 -1.04 -0.23 -5.09 114.28 102.21 2qxu n THR 109 Ca 0.01 -0.24 -0.14 0.00 -2.04 0.00 0.00 64.05 61.64 2qxu n THR 109 Cb 0.41 -1.47 -0.04 0.00 -1.82 0.00 0.00 70.33 67.41 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 -2.27 0.00 -2.86 12.58 -1.32 -0.97 -5.00 115.64 115.79 2qxu s THR 110 Ca -0.20 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.52 2qxu s THR 110 Cb 0.07 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 70.32 2qxu s THR 110 CO 0.28 0.00 1.33 0.61 -2.21 0.00 0.00 174.62 174.63 2qxu n GLY 111 N 0.40 1.03 3.53 6.08 0.00 -1.26 -3.30 105.19 111.66 2qxu n GLY 111 Ca -0.15 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.91 1.96 -1.07 1.61 1.02 -1.26 -0.30 119.74 119.79 2qxu s LYS 112 Ca 0.31 -1.09 -0.22 0.00 0.02 0.00 0.00 55.97 54.98 2qxu s LYS 112 Cb 0.21 -2.21 0.06 0.00 -0.52 0.00 0.00 37.83 35.37 2qxu s LYS 112 CO 0.31 0.50 1.49 0.00 -0.92 0.00 0.00 175.35 176.72 2qxu s ALA 113 N -1.16 2.85 -0.05 5.17 0.00 -0.39 -4.80 121.76 123.39 2qxu s ALA 113 Ca 0.19 -2.41 -0.33 0.00 0.00 0.00 0.00 51.96 49.42 2qxu s ALA 113 Cb -0.11 -4.53 -0.11 0.00 0.00 0.00 0.00 23.12 18.37 2qxu s ALA 113 CO 0.11 -3.53 1.90 1.28 0.00 0.00 0.00 175.76 175.52 2qxu n LEU 114 N 8.69 3.66 0.25 0.00 4.77 -1.26 -4.67 117.00 128.44 2qxu n LEU 114 Ca 0.36 0.95 0.17 0.00 -0.03 0.00 0.00 56.01 57.46 2qxu n LEU 114 Cb 0.50 -1.42 0.78 0.00 -2.33 0.00 0.00 43.42 40.95 2qxu n LEU 114 CO 0.67 0.02 1.00 1.55 -1.33 0.00 0.00 177.39 179.30 2qxu h PRO 115 N 9.55 0.00 0.00 3.23 0.13 -1.84 -3.41 132.00 139.66 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 0.95 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.13 2qxu n GLY 116 N -0.47 -1.78 0.00 1.56 0.00 -1.26 -1.04 105.19 102.19 2qxu n GLY 116 Ca -0.00 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 1.02 -3.03 2.61 -2.24 0.10 -4.96 114.28 107.79 2qxu n THR 117 Ca 0.00 -1.04 -0.43 0.00 -2.27 0.00 0.00 64.05 60.31 2qxu n THR 117 Cb 0.00 0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 68.65 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 -1.06 6.30 0.64 3.42 2.15 -1.24 -4.85 116.67 122.03 2qxu s ASP 118 Ca 0.01 -0.53 0.37 0.00 0.43 0.00 0.00 52.55 52.83 2qxu s ASP 118 Cb 0.01 -2.35 1.99 0.00 -0.30 0.00 0.00 42.92 42.27 2qxu s ASP 118 CO 0.00 -0.96 2.12 1.55 -0.17 0.00 0.00 175.17 177.71 2qxu h PRO 119 N 9.05 0.00 0.00 4.34 0.13 -1.97 -2.08 132.00 141.48 2qxu h PRO 119 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2qxu h PRO 119 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2qxu h PRO 119 CO 0.98 0.00 -0.85 0.09 -0.23 0.00 0.00 178.00 177.99 2qxu n ASN 120 N -2.93 0.69 -3.59 1.44 3.02 -1.26 -4.91 115.26 107.72 2qxu n ASN 120 Ca -0.02 0.05 -0.02 0.00 -0.03 0.00 0.00 54.58 54.56 2qxu n ASN 120 Cb 0.21 0.45 -0.05 0.00 -0.61 0.00 0.00 39.78 39.78 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 -3.22 0.51 0.64 3.52 0.74 -0.78 -5.16 119.66 115.91 2qxu s GLN 121 Ca 0.04 1.08 -0.13 0.00 0.05 0.00 0.00 55.36 56.39 2qxu s GLN 121 Cb 0.13 0.42 -0.01 0.00 1.10 0.00 0.00 33.01 34.65 2qxu s GLN 121 CO 0.76 -0.14 1.06 0.15 -0.55 0.00 0.00 175.29 176.57 2qxu s LYS 122 N 2.14 3.13 0.18 1.67 1.02 -1.26 -4.43 119.74 122.19 2qxu s LYS 122 Ca -0.07 1.07 -0.30 0.00 0.02 0.00 0.00 55.97 56.69 2qxu s LYS 122 Cb -0.07 -2.01 -0.08 0.00 -0.52 0.00 0.00 37.83 35.15 2qxu s LYS 122 CO -0.18 -0.95 1.14 0.42 -0.92 0.00 0.00 175.35 174.85 2qxu s ILE 123 N -2.76 3.78 -0.12 2.17 1.01 -0.21 -4.97 121.20 120.09 2qxu s ILE 123 Ca 0.61 1.51 -0.06 0.00 0.00 0.00 0.00 60.65 62.71 2qxu s ILE 123 Cb -0.15 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 2qxu s ILE 123 CO 0.46 0.25 0.10 -0.76 0.00 0.00 0.00 174.94 174.99 2qxu s LEU 124 N -0.28 4.12 0.00 2.97 1.43 -0.59 -4.72 118.68 121.62 2qxu s LEU 124 Ca 0.51 0.34 0.07 0.00 -1.03 0.00 0.00 54.13 54.01 2qxu s LEU 124 Cb -0.30 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 43.90 2qxu s LEU 124 CO 0.35 0.37 -0.20 -0.31 0.23 0.00 0.00 176.35 176.79 2qxu s TYR 125 N -0.81 1.81 -0.18 0.29 1.51 -0.80 -0.85 117.35 118.31 2qxu s TYR 125 Ca 0.13 -0.35 -0.02 0.00 -1.01 0.00 0.00 57.07 55.82 2qxu s TYR 125 Cb -0.12 -1.14 0.05 0.00 -0.11 0.00 0.00 41.96 40.65 2qxu s TYR 125 CO 0.03 0.01 0.01 0.99 -1.11 0.00 0.00 175.55 175.48 2qxu s THR 126 N -0.58 0.70 -0.33 -0.71 2.01 -0.55 -1.51 115.64 114.68 2qxu s THR 126 Ca 0.08 -0.56 -0.07 0.00 0.31 0.00 0.00 61.69 61.44 2qxu s THR 126 Cb -0.08 -1.10 0.02 0.00 0.01 0.00 0.00 72.50 71.36 2qxu s THR 126 CO 0.00 -0.09 0.11 -0.55 -0.69 0.00 0.00 174.62 173.40 2qxu s SER 127 N 1.79 5.32 -0.15 3.53 0.15 0.36 -1.33 113.70 123.36 2qxu s SER 127 Ca -0.01 -0.93 -0.08 0.00 0.70 0.00 0.00 55.95 55.64 2qxu s SER 127 Cb -0.16 -1.90 -0.04 0.00 -1.71 0.00 0.00 66.02 62.20 2qxu s SER 127 CO -0.07 -0.28 0.12 -0.63 1.20 0.00 0.00 173.24 173.58 2qxu s ILE 128 N 1.47 5.34 0.03 6.45 1.01 -0.20 0.00 121.20 135.30 2qxu s ILE 128 Ca 0.01 0.15 -0.20 0.00 0.00 0.00 0.00 60.65 60.61 2qxu s ILE 128 Cb -0.18 -3.36 0.04 0.00 0.01 0.00 0.00 42.46 38.96 2qxu s ILE 128 CO 0.03 0.55 0.45 -0.72 0.00 0.00 0.00 174.94 175.25 2qxu s TYR 129 N -0.44 -0.33 -0.02 3.97 -0.85 -0.62 -0.56 117.35 118.50 2qxu s TYR 129 Ca 0.12 0.37 0.06 0.00 -0.52 0.00 0.00 57.07 57.09 2qxu s TYR 129 Cb -0.12 0.26 -0.01 0.00 0.38 0.00 0.00 41.96 42.47 2qxu s TYR 129 CO 0.02 -0.58 -0.20 0.45 -1.52 0.00 0.00 175.55 173.72 2qxu s SER 130 N -1.87 2.34 0.00 -0.18 0.15 -1.26 -0.84 113.70 112.04 2qxu s SER 130 Ca -0.07 -0.36 0.07 0.00 0.70 0.00 0.00 55.95 56.29 2qxu s SER 130 Cb -0.01 -0.32 0.30 0.00 -1.71 0.00 0.00 66.02 64.27 2qxu s SER 130 CO -0.01 0.23 1.21 -1.54 1.20 0.00 0.00 173.24 174.34 2qxu n SER 131 N 2.67 0.00 -0.63 5.45 3.41 -1.18 -1.26 113.62 122.08 2qxu n SER 131 Ca -0.16 0.49 0.13 0.00 -0.26 0.00 0.00 58.87 59.07 2qxu n SER 131 Cb 0.53 -0.49 0.33 0.00 -0.26 0.00 0.00 64.21 64.32 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 -1.49 2.63 -2.20 7.33 0.00 -1.26 -4.88 120.51 120.65 2qxu n ALA 132 Ca 0.02 -0.54 -0.43 0.00 0.00 0.00 0.00 53.44 52.49 2qxu n ALA 132 Cb 0.08 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.07 6.55 -0.01 0.00 -1.08 -0.39 -4.42 116.67 115.25 2qxu s ASP 133 Ca 0.32 1.63 0.20 0.00 -0.52 0.00 0.00 52.55 54.19 2qxu s ASP 133 Cb 0.20 -2.53 0.60 0.00 -1.46 0.00 0.00 42.92 39.73 2qxu s ASP 133 CO 0.35 -1.11 1.50 0.23 0.52 0.00 0.00 175.17 176.66 2qxu n MET 134 N 7.38 2.67 -0.05 4.34 2.81 -1.26 -4.43 117.12 128.58 2qxu n MET 134 Ca 0.17 -2.44 -0.10 0.00 -1.81 0.00 0.00 57.70 53.53 2qxu n MET 134 Cb 0.45 -1.56 -0.04 0.00 -0.71 0.00 0.00 33.22 31.36 2qxu n MET 134 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 2qxu n ILE 135 N 1.41 0.54 -4.02 2.02 2.08 -1.26 -4.97 119.36 115.17 2qxu n ILE 135 Ca 0.23 -0.16 -0.34 0.00 0.56 0.00 0.00 62.75 63.04 2qxu n ILE 135 Cb 0.60 -1.41 -0.15 0.00 -0.75 0.00 0.00 39.64 37.93 2qxu n ILE 135 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 2qxu s VAL 136 N -2.18 2.57 0.37 1.39 1.01 -1.26 -5.09 120.40 117.20 2qxu s VAL 136 Ca -0.14 -1.08 -0.28 0.00 0.00 0.00 0.00 61.98 60.48 2qxu s VAL 136 Cb 0.05 -2.28 -0.11 0.00 0.00 0.00 0.00 36.38 34.04 2qxu s VAL 136 CO 0.19 0.26 1.52 -0.04 0.00 0.00 0.00 175.10 177.02 2qxu s MET 137 N 1.29 4.10 0.47 2.72 -1.94 -1.26 -4.84 119.30 119.83 2qxu s MET 137 Ca 0.00 2.60 0.12 0.00 -1.71 0.00 0.00 55.69 56.70 2qxu s MET 137 Cb -0.16 -2.97 1.08 0.00 2.01 0.00 0.00 34.83 34.79 2qxu s MET 137 CO -0.07 -0.57 2.10 -0.91 -0.01 0.00 0.00 175.02 175.56 2qxu h ASN 138 N 3.28 0.23 0.29 3.03 2.35 -1.90 -2.07 115.58 120.80 2qxu h ASN 138 Ca -0.50 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.23 2qxu h ASN 138 Cb 1.24 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 39.55 2qxu h ASN 138 CO 0.67 0.16 -0.07 0.10 -1.65 0.00 0.00 177.43 176.64 2qxu h TYR 139 N 0.27 0.00 0.00 1.19 -0.00 -1.96 -0.48 116.97 115.98 2qxu h TYR 139 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.81 2qxu h TYR 139 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 2qxu h TYR 139 CO -0.00 0.07 0.00 -0.07 -0.00 0.00 0.00 178.16 178.16 2qxu h LEU 140 N 0.00 0.00 0.00 0.10 3.38 -1.69 -3.28 115.31 113.82 2qxu h LEU 140 Ca -0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 2qxu h LEU 140 Cb 0.24 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 2qxu h LEU 140 CO 0.01 0.00 -1.49 0.28 0.09 0.00 0.00 178.44 177.33 2qxu h SER 141 N 0.00 0.00 -3.16 -0.43 0.02 -1.06 0.01 113.55 108.92 2qxu h SER 141 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 2qxu h SER 141 Cb 0.87 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.45 2qxu h SER 141 CO 0.00 0.95 0.74 -0.13 -1.14 0.00 0.00 176.83 177.25 2qxu s ARG 142 N -2.66 4.31 -0.09 3.45 0.52 -1.07 -4.78 118.95 118.63 2qxu s ARG 142 Ca -0.03 2.17 0.04 0.00 -0.52 0.00 0.00 55.73 57.39 2qxu s ARG 142 Cb 0.08 -3.18 0.00 0.00 0.52 0.00 0.00 34.95 32.37 2qxu s ARG 142 CO 0.82 -0.41 -0.23 -0.51 0.02 0.00 0.00 175.30 174.99 2qxu s LEU 143 N 0.44 2.03 0.04 2.53 1.43 -1.26 -4.79 118.68 119.10 2qxu s LEU 143 Ca 0.62 -0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 52.90 2qxu s LEU 143 Cb -0.39 -1.33 -0.08 0.00 0.03 0.00 0.00 46.19 44.42 2qxu s LEU 143 CO 0.36 0.15 1.71 -1.81 0.23 0.00 0.00 176.35 176.99 2qxu s ASP 144 N 0.32 6.58 0.00 2.29 1.01 0.59 -1.90 116.67 125.56 2qxu s ASP 144 Ca -0.17 2.48 0.00 0.00 0.71 0.00 0.00 52.55 55.58 2qxu s ASP 144 Cb -0.17 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.21 2qxu s ASP 144 CO 0.08 -0.93 0.00 0.61 0.21 0.00 0.00 175.17 175.14 2qxu n GLY 145 N 4.12 2.41 3.95 0.21 0.00 -1.26 -1.26 105.19 113.35 2qxu n GLY 145 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.61 3.56 -0.65 4.61 0.00 -0.80 -2.60 121.76 123.27 2qxu s ALA 146 Ca 0.00 -1.09 -0.24 0.00 0.00 0.00 0.00 51.96 50.63 2qxu s ALA 146 Cb 0.00 -2.32 0.05 0.00 0.00 0.00 0.00 23.12 20.85 2qxu s ALA 146 CO 0.00 -0.91 1.04 0.50 0.00 0.00 0.00 175.76 176.39 2qxu s ARG 147 N -4.93 3.18 -0.30 0.00 3.52 -0.57 -4.88 118.95 114.97 2qxu s ARG 147 Ca 0.57 -0.56 -0.18 0.00 -0.13 0.00 0.00 55.73 55.43 2qxu s ARG 147 Cb -0.10 -4.18 -0.02 0.00 -1.56 0.00 0.00 34.95 29.09 2qxu s ARG 147 CO 0.41 -1.83 0.54 -0.80 -0.81 0.00 0.00 175.30 172.81 2qxu s ASN 148 N 3.51 6.40 -0.26 -2.12 0.01 -1.26 -0.49 114.94 120.74 2qxu s ASN 148 Ca 0.27 0.32 -0.01 0.00 -0.71 0.00 0.00 52.86 52.73 2qxu s ASN 148 Cb -0.14 -2.29 0.03 0.00 0.41 0.00 0.00 41.25 39.27 2qxu s ASN 148 CO 0.13 -0.39 -0.05 -0.69 -1.51 0.00 0.00 177.10 174.59 2qxu s VAL 149 N 2.40 2.86 -0.21 1.60 1.01 0.10 -4.96 120.40 123.20 2qxu s VAL 149 Ca 0.21 -1.12 -0.15 0.00 0.00 0.00 0.00 61.98 60.93 2qxu s VAL 149 Cb -0.15 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 2qxu s VAL 149 CO 0.11 0.14 0.36 -1.58 0.00 0.00 0.00 175.10 174.12 2qxu s GLN 150 N 1.30 4.16 0.47 2.72 0.74 -1.26 -1.58 119.66 126.21 2qxu s GLN 150 Ca -0.01 0.12 0.03 0.00 0.05 0.00 0.00 55.36 55.55 2qxu s GLN 150 Cb -0.17 -3.53 -0.03 0.00 1.10 0.00 0.00 33.01 30.37 2qxu s GLN 150 CO -0.04 -0.01 0.02 0.96 -0.55 0.00 0.00 175.29 175.67 2qxu s ILE 151 N 1.24 1.29 0.32 -2.34 -4.36 -0.02 -4.98 121.20 112.35 2qxu s ILE 151 Ca 0.17 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.59 2qxu s ILE 151 Cb -0.14 -2.40 -0.04 0.00 1.25 0.00 0.00 42.46 41.12 2qxu s ILE 151 CO 0.07 0.00 0.12 -1.00 0.24 0.00 0.00 174.94 174.37 2qxu s HIS 152 N -2.89 1.69 0.00 1.37 3.76 -1.26 -3.10 115.29 114.86 2qxu s HIS 152 Ca 0.16 -1.22 0.00 0.00 -0.15 0.00 0.00 55.06 53.84 2qxu s HIS 152 Cb 0.04 -1.01 0.00 0.00 1.11 0.00 0.00 32.58 32.72 2qxu s HIS 152 CO 0.08 -0.32 0.00 0.41 -0.85 0.00 0.00 174.74 174.06 2qxu n GLY 153 N -0.64 1.36 3.80 -2.22 0.00 -1.26 -4.96 105.19 101.27 2qxu n GLY 153 Ca -0.01 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.01 4.31 0.08 1.61 1.01 -1.26 -4.90 120.40 121.24 2qxu s VAL 154 Ca 0.00 1.66 0.01 0.00 0.00 0.00 0.00 61.98 63.65 2qxu s VAL 154 Cb 0.00 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.52 2qxu s VAL 154 CO 0.00 -0.00 0.08 0.61 0.00 0.00 0.00 175.10 175.79 2qxu n GLY 155 N 0.19 2.64 0.34 4.51 0.00 -1.26 -3.81 105.19 107.79 2qxu n GLY 155 Ca 0.03 -2.17 0.22 0.00 0.00 0.00 0.00 46.02 44.10 2qxu n GLY 155 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2qxu h HIS 156 N 0.34 0.93 0.12 1.61 2.76 -1.90 -1.94 115.15 117.07 2qxu h HIS 156 Ca -0.05 0.04 -0.36 0.00 -2.20 0.00 0.00 60.37 57.81 2qxu h HIS 156 Cb 0.18 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.87 2qxu h HIS 156 CO 0.00 -0.12 -1.93 0.82 -1.30 0.00 0.00 177.93 175.40 2qxu h ILE 157 N 0.38 0.69 -0.08 6.26 1.08 -1.98 -3.35 117.51 120.52 2qxu h ILE 157 Ca 0.71 -2.40 0.02 0.00 -0.39 0.00 0.00 64.86 62.80 2qxu h ILE 157 Cb 1.55 2.54 -0.00 0.00 -3.07 0.00 0.00 36.82 37.84 2qxu h ILE 157 CO -0.58 0.86 0.17 1.23 -0.69 0.00 0.00 178.15 179.14 2qxu h GLY 158 N 1.27 0.00 2.00 5.37 0.00 -1.74 -0.51 103.07 109.46 2qxu h GLY 158 Ca -0.40 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 2qxu h GLY 158 CO 0.10 0.00 -0.00 1.41 0.00 0.00 0.00 176.54 178.05 2qxu h LEU 159 N 0.00 0.00 0.00 3.11 3.38 -1.53 -0.95 115.31 119.32 2qxu h LEU 159 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2qxu h LEU 159 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2qxu h LEU 159 CO -0.00 0.00 -0.73 0.18 0.09 0.00 0.00 178.44 177.98 2qxu n LEU 160 N -3.34 0.70 -2.63 1.67 4.77 -0.20 -4.35 117.00 113.62 2qxu n LEU 160 Ca -0.03 -0.19 -0.12 0.00 -0.03 0.00 0.00 56.01 55.64 2qxu n LEU 160 Cb 0.08 -0.14 0.03 0.00 -2.33 0.00 0.00 43.42 41.05 2qxu n LEU 160 CO 0.23 0.16 -0.04 -1.22 -1.33 0.00 0.00 177.39 175.19 2qxu n TYR 161 N -1.54 1.63 -5.13 -1.77 4.01 -0.40 -4.05 117.16 109.92 2qxu n TYR 161 Ca 0.05 -2.77 -0.32 0.00 -0.16 0.00 0.00 57.90 54.70 2qxu n TYR 161 Cb 0.34 -0.31 -0.16 0.00 -0.31 0.00 0.00 39.34 38.90 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 -3.29 3.29 0.13 7.72 0.15 -0.98 -4.97 113.70 115.75 2qxu s SER 162 Ca 0.32 -0.51 -0.18 0.00 0.70 0.00 0.00 55.95 56.28 2qxu s SER 162 Cb 0.43 -1.42 -0.03 0.00 -1.71 0.00 0.00 66.02 63.30 2qxu s SER 162 CO -0.01 0.17 1.72 -1.28 1.20 0.00 0.00 173.24 175.04 2qxu h SER 163 N 6.66 0.40 -0.46 5.45 0.87 -1.97 0.12 113.55 124.63 2qxu h SER 163 Ca -0.21 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.23 2qxu h SER 163 Cb 1.23 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 63.07 2qxu h SER 163 CO 0.49 0.39 0.22 -0.61 -0.53 0.00 0.00 176.83 176.79 2qxu h GLN 164 N 0.39 0.66 -0.44 2.24 4.15 -1.99 -2.23 115.11 117.89 2qxu h GLN 164 Ca 0.11 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 2qxu h GLN 164 Cb 0.08 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 2qxu h GLN 164 CO -0.02 0.55 0.24 0.28 -1.93 0.00 0.00 178.83 177.96 2qxu h VAL 165 N 0.60 1.16 -0.72 2.39 2.07 -1.85 -2.39 116.25 117.51 2qxu h VAL 165 Ca 0.16 -0.41 0.09 0.00 0.82 0.00 0.00 66.70 67.36 2qxu h VAL 165 Cb 0.11 0.63 -0.07 0.00 -1.52 0.00 0.00 31.29 30.44 2qxu h VAL 165 CO -0.02 0.17 0.37 0.78 0.02 0.00 0.00 177.57 178.89 2qxu h ASN 166 N 0.57 0.50 -0.86 0.57 2.35 -0.72 0.12 115.58 118.11 2qxu h ASN 166 Ca 0.15 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 2qxu h ASN 166 Cb 0.05 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.35 2qxu h ASN 166 CO -0.02 0.29 0.42 0.28 -1.65 0.00 0.00 177.43 176.75 2qxu h SER 167 N 0.63 1.12 -0.28 5.81 0.02 -1.13 -1.42 113.55 118.30 2qxu h SER 167 Ca 0.35 -0.13 -0.11 0.00 -0.84 0.00 0.00 61.79 61.06 2qxu h SER 167 Cb 0.34 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2qxu h SER 167 CO -0.25 0.94 -0.20 -0.07 -1.14 0.00 0.00 176.83 176.11 2qxu h LEU 168 N 1.22 0.74 -0.61 5.07 3.38 -0.72 -1.93 115.31 122.47 2qxu h LEU 168 Ca 0.30 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2qxu h LEU 168 Cb 0.11 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2qxu h LEU 168 CO -0.04 0.93 0.24 0.40 0.09 0.00 0.00 178.44 180.06 2qxu h ILE 169 N 0.65 1.23 -0.40 1.22 2.04 -0.31 -1.29 117.51 120.65 2qxu h ILE 169 Ca 0.10 -0.73 0.01 0.00 1.00 0.00 0.00 64.86 65.23 2qxu h ILE 169 Cb 0.68 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 2qxu h ILE 169 CO 0.05 0.29 0.25 0.50 0.00 0.00 0.00 178.15 179.24 2qxu h LYS 170 N 0.85 0.50 -0.53 2.37 3.64 -0.98 0.01 116.57 122.42 2qxu h LYS 170 Ca 0.20 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.58 2qxu h LYS 170 Cb 0.21 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 2qxu h LYS 170 CO -0.02 0.33 0.31 0.93 -2.27 0.00 0.00 179.45 178.73 2qxu h GLU 171 N 0.51 0.59 -0.61 1.90 5.08 -1.04 -1.57 114.58 119.44 2qxu h GLU 171 Ca 0.15 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 2qxu h GLU 171 Cb -0.04 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 2qxu h GLU 171 CO -0.05 0.39 0.10 0.78 -1.00 0.00 0.00 179.01 179.24 2qxu h GLY 172 N 0.61 1.09 2.00 -3.84 0.00 -0.72 0.37 103.07 102.58 2qxu h GLY 172 Ca 0.22 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2qxu h GLY 172 CO -0.11 0.67 0.00 1.41 0.00 0.00 0.00 176.54 178.51 2qxu h LEU 173 N 0.92 0.00 -3.03 3.11 3.38 -0.74 -2.06 115.31 116.89 2qxu h LEU 173 Ca 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 2qxu h LEU 173 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2qxu h LEU 173 CO 0.01 0.00 0.01 0.59 0.09 0.00 0.00 178.44 179.14 2qxu n ASN 174 N -2.93 4.72 0.00 -0.43 3.02 -0.62 -4.88 115.26 114.14 2qxu n ASN 174 Ca 0.01 -2.75 0.00 0.00 -0.03 0.00 0.00 54.58 51.81 2qxu n ASN 174 Cb 0.32 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 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 0.46 0.45 0.89 7.41 0.00 -0.78 -4.97 105.19 108.65 2qxu n GLY 175 Ca 0.23 -0.86 0.06 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.15 1.25 0.00 -0.02 0.00 0.12 -4.93 105.19 100.47 2qxu n GLY 176 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 1.05 -0.78 3.15 -0.02 0.00 -1.26 -4.75 105.19 102.57 2qxu n GLY 177 Ca 0.15 -1.72 -0.08 0.00 0.00 0.00 0.00 46.02 44.36 2qxu n GLY 177 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qxu s GLN 178 N -2.87 0.71 -0.30 1.61 -0.21 -0.82 -4.79 119.66 112.98 2qxu s GLN 178 Ca 0.00 -1.01 -0.08 0.00 0.02 0.00 0.00 55.36 54.28 2qxu s GLN 178 Cb 0.00 0.27 0.18 0.00 1.00 0.00 0.00 33.01 34.47 2qxu s GLN 178 CO 0.00 -0.19 0.91 1.21 -2.12 0.00 0.00 175.29 175.10 2qxu s ASN 179 N -2.74 -0.76 0.00 5.90 3.84 -1.07 -1.91 114.94 118.20 2qxu s ASN 179 Ca 0.04 0.37 0.26 0.00 0.21 0.00 0.00 52.86 53.73 2qxu s ASN 179 Cb 0.05 1.59 0.62 0.00 -0.55 0.00 0.00 41.25 42.96 2qxu s ASN 179 CO -0.09 -0.14 1.48 0.35 -2.79 0.00 0.00 177.10 175.91 2qxu n THR 180 N 5.40 0.00 1.73 -5.21 -2.24 -1.12 -5.04 114.28 107.80 2qxu n THR 180 Ca -0.02 -0.10 0.15 0.00 -2.27 0.00 0.00 64.05 61.81 2qxu n THR 180 Cb 0.54 0.43 0.72 0.00 -2.10 0.00 0.00 70.33 69.93 2qxu n THR 180 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09