#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 5.36 0.60 0.41 0.01 -1.26 -4.97 114.94 115.09 2qxu s ASN 4 Ca 0.00 1.73 -0.19 0.00 -0.71 0.00 0.00 52.86 53.69 2qxu s ASN 4 Cb 0.00 -2.51 -0.03 0.00 0.41 0.00 0.00 41.25 39.12 2qxu s ASN 4 CO 0.00 -1.46 1.26 -2.84 -1.51 0.00 0.00 177.10 172.56 2qxu s PRO 5 N -4.68 2.87 -0.12 -0.60 0.02 -1.26 -4.67 135.00 126.56 2qxu s PRO 5 Ca 0.61 1.98 -0.01 0.00 0.02 0.00 0.00 61.00 63.60 2qxu s PRO 5 Cb -0.15 -1.97 -0.03 0.00 0.02 0.00 0.00 34.50 32.37 2qxu s PRO 5 CO 0.49 -1.32 -0.07 0.08 -0.33 0.00 0.00 177.00 175.85 2qxu s VAL 6 N -1.46 3.66 -0.22 3.83 1.01 -0.07 -1.18 120.40 125.97 2qxu s VAL 6 Ca 0.78 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 62.27 2qxu s VAL 6 Cb -0.35 -2.55 -0.00 0.00 0.00 0.00 0.00 36.38 33.48 2qxu s VAL 6 CO 0.38 0.53 -0.07 -0.69 0.00 0.00 0.00 175.10 175.25 2qxu s VAL 7 N -0.02 3.09 -0.19 2.92 1.01 0.37 0.59 120.40 128.17 2qxu s VAL 7 Ca -0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 2qxu s VAL 7 Cb -0.13 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 2qxu s VAL 7 CO 0.03 0.43 0.21 -0.04 0.00 0.00 0.00 175.10 175.72 2qxu s MET 8 N 1.43 4.20 -0.27 2.72 -1.94 0.29 -1.86 119.30 123.88 2qxu s MET 8 Ca 0.05 -0.09 0.01 0.00 -1.71 0.00 0.00 55.69 53.95 2qxu s MET 8 Cb -0.14 -3.44 0.05 0.00 2.01 0.00 0.00 34.83 33.30 2qxu s MET 8 CO -0.05 0.23 -0.07 0.08 -0.01 0.00 0.00 175.02 175.20 2qxu s VAL 9 N 0.54 2.55 0.91 -6.03 1.01 0.32 -1.84 120.40 117.86 2qxu s VAL 9 Ca 0.12 -1.41 -0.13 0.00 0.00 0.00 0.00 61.98 60.56 2qxu s VAL 9 Cb -0.12 -2.43 0.14 0.00 0.00 0.00 0.00 36.38 33.97 2qxu s VAL 9 CO 0.01 0.02 1.15 -1.38 0.00 0.00 0.00 175.10 174.90 2qxu s HIS 10 N 1.20 2.46 0.00 5.22 -3.43 -1.26 -1.15 115.29 118.33 2qxu s HIS 10 Ca -0.05 0.80 0.00 0.00 -0.80 0.00 0.00 55.06 55.01 2qxu s HIS 10 Cb -0.19 -3.44 0.00 0.00 -1.43 0.00 0.00 32.58 27.52 2qxu s HIS 10 CO -0.04 -2.35 0.00 0.41 -2.00 0.00 0.00 174.74 170.76 2qxu n GLY 11 N -2.41 3.64 3.71 -1.38 0.00 -1.17 -3.27 105.19 104.32 2qxu n GLY 11 Ca 0.07 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 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 2.12 2.29 -0.56 -0.61 1.01 -1.26 -1.43 121.20 122.75 2qxu s ILE 12 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.74 2qxu s ILE 12 Cb 0.00 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.41 2qxu s ILE 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.55 2qxu n GLY 13 N 4.03 0.71 2.97 6.18 0.00 -0.45 -4.99 105.19 113.64 2qxu n GLY 13 Ca 0.16 -0.23 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.17 0.75 3.45 -0.02 0.00 -0.52 -5.13 105.19 102.54 2qxu n GLY 14 Ca -0.05 -2.02 -0.12 0.00 0.00 0.00 0.00 46.02 43.83 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 -3.05 -1.66 0.61 4.61 0.00 -1.26 -4.88 121.76 116.12 2qxu s ALA 15 Ca 0.50 0.67 0.29 0.00 0.00 0.00 0.00 51.96 53.43 2qxu s ALA 15 Cb -0.03 0.71 1.60 0.00 0.00 0.00 0.00 23.12 25.40 2qxu s ALA 15 CO 0.33 -0.72 1.99 0.66 0.00 0.00 0.00 175.76 178.03 2qxu h SER 16 N 2.08 0.00 0.84 0.00 4.64 -1.87 0.83 113.55 120.06 2qxu h SER 16 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2qxu h SER 16 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2qxu h SER 16 CO 0.37 0.00 0.00 -0.26 -0.87 0.00 0.00 176.83 176.07 2qxu h PHE 17 N 0.00 0.00 0.00 4.77 0.04 -1.95 -2.87 116.94 116.93 2qxu h PHE 17 Ca 0.12 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 2qxu h PHE 17 Cb 0.79 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.94 2qxu h PHE 17 CO 0.00 0.00 -0.04 -0.91 -0.60 0.00 0.00 178.31 176.76 2qxu h ASN 18 N 0.00 0.00 -0.50 2.17 2.35 -1.23 -2.34 115.58 116.02 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 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 2qxu h ASN 18 CO 0.00 0.04 0.00 0.49 -1.65 0.00 0.00 177.43 176.31 2qxu n PHE 19 N -3.55 1.23 -0.10 1.19 3.72 -1.08 -4.50 117.46 114.36 2qxu n PHE 19 Ca -0.02 -0.48 -0.07 0.00 -0.05 0.00 0.00 57.45 56.83 2qxu n PHE 19 Cb 0.14 -0.23 0.01 0.00 -0.94 0.00 0.00 39.48 38.46 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 3.78 0.42 -0.55 4.37 0.00 -1.62 0.14 119.26 125.80 2qxu h ALA 20 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2qxu h ALA 20 Cb 1.25 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2qxu h ALA 20 CO 0.21 -0.24 0.18 0.78 0.00 0.00 0.00 179.25 180.17 2qxu h GLY 21 N 0.31 0.91 1.41 0.00 0.00 -1.82 -1.99 103.07 101.89 2qxu h GLY 21 Ca 0.16 -0.53 -0.11 0.00 0.00 0.00 0.00 47.33 46.84 2qxu h GLY 21 CO -0.14 0.50 -0.23 -2.22 0.00 0.00 0.00 176.54 174.44 2qxu h ILE 22 N 0.76 1.27 -0.33 2.60 1.08 -1.65 -2.00 117.51 119.23 2qxu h ILE 22 Ca 0.18 -1.32 -0.05 0.00 -0.39 0.00 0.00 64.86 63.28 2qxu h ILE 22 Cb 0.27 1.26 -0.01 0.00 -3.07 0.00 0.00 36.82 35.27 2qxu h ILE 22 CO -0.01 0.43 0.01 0.50 -0.69 0.00 0.00 178.15 178.40 2qxu h LYS 23 N 0.59 0.58 -0.71 2.37 3.64 -0.55 -1.35 116.57 121.15 2qxu h LYS 23 Ca 0.08 -0.18 -0.07 0.00 -1.27 0.00 0.00 60.65 59.22 2qxu h LYS 23 Cb 0.71 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 2qxu h LYS 23 CO 0.05 0.70 0.18 0.77 -2.27 0.00 0.00 179.45 178.88 2qxu h SER 24 N 0.39 1.07 -0.15 4.20 0.02 -1.27 -1.81 113.55 116.00 2qxu h SER 24 Ca 0.10 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2qxu h SER 24 Cb 0.42 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2qxu h SER 24 CO 0.01 1.03 0.10 0.22 -1.14 0.00 0.00 176.83 177.05 2qxu h TYR 25 N 1.07 0.19 -0.61 3.45 3.20 -1.20 -1.38 116.97 121.69 2qxu h TYR 25 Ca 0.22 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 2qxu h TYR 25 Cb 0.37 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 2qxu h TYR 25 CO 0.03 0.12 0.28 -0.07 -1.64 0.00 0.00 178.16 176.88 2qxu h LEU 26 N 0.20 0.78 -0.88 2.82 3.38 -1.05 -1.59 115.31 118.97 2qxu h LEU 26 Ca 0.06 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2qxu h LEU 26 Cb -0.02 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2qxu h LEU 26 CO -0.01 0.67 0.14 0.58 0.09 0.00 0.00 178.44 179.91 2qxu h VAL 27 N 0.86 1.25 0.00 1.22 2.07 -0.99 -0.48 116.25 120.18 2qxu h VAL 27 Ca 0.21 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.82 2qxu h VAL 27 Cb 0.11 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2qxu h VAL 27 CO -0.03 0.34 0.00 0.77 0.02 0.00 0.00 177.57 178.68 2qxu h SER 28 N 0.92 0.00 -0.55 0.57 4.64 -0.29 -2.34 113.55 116.50 2qxu h SER 28 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2qxu h SER 28 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2qxu h SER 28 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2qxu n GLN 29 N -2.91 2.60 0.00 4.77 1.13 -0.65 -4.95 117.38 117.37 2qxu n GLN 29 Ca -0.00 -2.44 0.00 0.00 -1.94 0.00 0.00 57.00 52.62 2qxu n GLN 29 Cb 0.23 -1.52 0.00 0.00 0.11 0.00 0.00 30.24 29.06 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 1.49 0.94 3.78 1.08 0.00 -0.88 -5.07 105.19 106.54 2qxu n GLY 30 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 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 3.24 -0.14 1.61 0.51 -0.28 -4.98 118.94 116.89 2qxu s TRP 31 Ca 0.00 1.64 -0.24 0.00 -2.12 0.00 0.00 56.10 55.38 2qxu s TRP 31 Cb 0.00 -3.12 -0.02 0.00 -0.81 0.00 0.00 33.47 29.52 2qxu s TRP 31 CO 0.00 -0.64 0.75 -1.12 -0.51 0.00 0.00 176.95 175.43 2qxu s SER 32 N -1.61 6.91 0.27 2.95 0.01 -1.26 -4.13 113.70 116.83 2qxu s SER 32 Ca 0.59 1.11 -0.01 0.00 1.31 0.00 0.00 55.95 58.94 2qxu s SER 32 Cb -0.21 -2.42 0.58 0.00 0.21 0.00 0.00 66.02 64.17 2qxu s SER 32 CO 0.27 -0.29 1.70 -0.09 0.41 0.00 0.00 173.24 175.24 2qxu h ARG 33 N 7.20 0.36 0.00 12.44 9.65 -1.94 0.13 114.38 142.22 2qxu h ARG 33 Ca -0.33 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.53 2qxu h ARG 33 Cb 1.15 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.65 2qxu h ARG 33 CO 0.80 0.24 0.00 -0.40 2.80 0.00 0.00 179.97 183.41 2qxu n ASP 34 N -5.07 0.41 -0.87 -3.80 5.75 -1.26 -1.99 116.55 109.72 2qxu n ASP 34 Ca 0.18 0.66 0.07 0.00 -0.01 0.00 0.00 54.79 55.69 2qxu n ASP 34 Cb 0.53 -0.72 0.23 0.00 -1.03 0.00 0.00 41.12 40.12 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 -2.02 3.02 -3.76 0.11 5.02 0.45 -4.88 118.16 116.10 2qxu n LYS 35 Ca 0.00 -2.50 -0.37 0.00 -2.02 0.00 0.00 58.31 53.42 2qxu n LYS 35 Cb 0.09 -1.60 -0.12 0.00 -0.02 0.00 0.00 35.03 33.38 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 -1.90 4.42 -0.07 -0.35 1.43 -0.84 -0.89 118.68 120.48 2qxu s LEU 36 Ca 0.35 -1.27 -0.00 0.00 -1.03 0.00 0.00 54.13 52.18 2qxu s LEU 36 Cb 0.24 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 2qxu s LEU 36 CO 0.14 -0.36 -0.04 -0.31 0.23 0.00 0.00 176.35 176.01 2qxu s TYR 37 N 1.36 3.03 -0.13 0.29 1.51 0.20 -4.98 117.35 118.63 2qxu s TYR 37 Ca -0.01 0.09 0.01 0.00 -1.01 0.00 0.00 57.07 56.15 2qxu s TYR 37 Cb -0.20 -1.73 0.02 0.00 -0.11 0.00 0.00 41.96 39.93 2qxu s TYR 37 CO 0.02 0.39 -0.13 0.00 -1.11 0.00 0.00 175.55 174.71 2qxu s ALA 38 N -0.86 1.70 0.52 3.71 0.00 -1.26 0.10 121.76 125.68 2qxu s ALA 38 Ca 0.13 -0.78 -0.12 0.00 0.00 0.00 0.00 51.96 51.20 2qxu s ALA 38 Cb -0.11 -0.94 -0.06 0.00 0.00 0.00 0.00 23.12 22.01 2qxu s ALA 38 CO 0.02 -0.27 0.92 0.54 0.00 0.00 0.00 175.76 176.97 2qxu s VAL 39 N 1.33 4.71 -0.15 0.00 0.11 -0.76 -4.81 120.40 120.82 2qxu s VAL 39 Ca 0.01 0.81 0.00 0.00 -2.93 0.00 0.00 61.98 59.87 2qxu s VAL 39 Cb -0.14 -3.80 0.03 0.00 -1.53 0.00 0.00 36.38 30.95 2qxu s VAL 39 CO -0.07 -0.83 -0.11 -1.81 -3.33 0.00 0.00 175.10 168.95 2qxu s ASP 40 N -3.62 2.75 -0.10 3.54 1.01 -1.26 -3.66 116.67 115.33 2qxu s ASP 40 Ca 0.54 -0.55 -0.13 0.00 0.71 0.00 0.00 52.55 53.12 2qxu s ASP 40 Cb -0.10 -1.10 -0.05 0.00 1.01 0.00 0.00 42.92 42.68 2qxu s ASP 40 CO 0.41 -0.10 0.30 -0.36 0.21 0.00 0.00 175.17 175.63 2qxu s PHE 41 N 1.52 3.58 -0.02 4.23 0.08 -1.26 -4.98 117.98 121.14 2qxu s PHE 41 Ca 0.03 0.72 0.14 0.00 0.12 0.00 0.00 56.93 57.95 2qxu s PHE 41 Cb -0.14 -2.24 0.16 0.00 -0.57 0.00 0.00 43.02 40.24 2qxu s PHE 41 CO -0.09 0.49 1.49 0.11 -0.10 0.00 0.00 175.22 177.11 2qxu h TRP 42 N 5.63 0.00 -2.43 0.36 5.08 -1.99 -3.41 115.95 119.21 2qxu h TRP 42 Ca -0.48 0.00 -0.57 0.00 1.08 0.00 0.00 58.89 58.92 2qxu h TRP 42 Cb 1.20 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 27.26 2qxu h TRP 42 CO 0.67 0.57 0.91 0.34 -1.28 0.00 0.00 178.44 179.65 2qxu s ASP 43 N -6.51 6.17 0.10 0.11 -1.08 -1.26 -4.87 116.67 109.33 2qxu s ASP 43 Ca 0.02 -0.65 0.14 0.00 -0.52 0.00 0.00 52.55 51.55 2qxu s ASP 43 Cb 0.09 -2.52 0.64 0.00 -1.46 0.00 0.00 42.92 39.67 2qxu s ASP 43 CO 0.75 -1.71 1.45 2.29 0.52 0.00 0.00 175.17 178.47 2qxu n LYS 44 N 8.84 0.06 0.00 4.34 2.85 -1.26 -1.36 118.16 131.63 2qxu n LYS 44 Ca 0.02 0.39 0.12 0.00 -1.05 0.00 0.00 58.31 57.79 2qxu n LYS 44 Cb 0.48 -1.65 0.24 0.00 -0.65 0.00 0.00 35.03 33.45 2qxu n LYS 44 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2qxu n THR 45 N -1.77 0.00 -3.31 0.58 -2.24 -1.26 -1.34 114.28 104.94 2qxu n THR 45 Ca 0.02 -0.16 -0.24 0.00 -2.27 0.00 0.00 64.05 61.40 2qxu n THR 45 Cb 0.13 0.67 0.04 0.00 -2.10 0.00 0.00 70.33 69.07 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 1.38 -0.52 3.76 3.38 0.00 -0.46 -4.80 105.19 107.93 2qxu n GLY 46 Ca 0.11 0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.18 2.58 0.26 2.61 -4.23 -1.26 -4.84 115.64 107.58 2qxu s THR 47 Ca 0.42 0.44 -0.03 0.00 -1.18 0.00 0.00 61.69 61.35 2qxu s THR 47 Cb -0.20 -3.23 0.14 0.00 1.34 0.00 0.00 72.50 70.55 2qxu s THR 47 CO 0.52 0.00 1.79 0.78 -0.54 0.00 0.00 174.62 177.18 2qxu h ASN 48 N 1.85 0.85 -0.62 3.99 2.35 -1.93 -1.43 115.58 120.63 2qxu h ASN 48 Ca -0.50 -0.17 0.13 0.00 -0.55 0.00 0.00 56.30 55.21 2qxu h ASN 48 Cb 1.27 -0.22 -0.10 0.00 0.05 0.00 0.00 38.32 39.32 2qxu h ASN 48 CO 0.59 0.84 0.03 0.22 -1.65 0.00 0.00 177.43 177.46 2qxu h TYR 49 N 0.86 0.02 0.13 1.19 3.20 -2.00 0.18 116.97 120.55 2qxu h TYR 49 Ca 0.18 0.04 -0.28 0.00 3.14 0.00 0.00 58.73 61.82 2qxu h TYR 49 Cb 0.34 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.70 2qxu h TYR 49 CO 0.02 -0.14 -1.40 -0.91 -1.64 0.00 0.00 178.16 174.09 2qxu h ASN 50 N 0.15 0.43 0.75 -2.11 2.35 -1.92 -3.40 115.58 111.83 2qxu h ASN 50 Ca 0.33 -0.87 -0.17 0.00 -0.55 0.00 0.00 56.30 55.03 2qxu h ASN 50 Cb 0.53 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 2qxu h ASN 50 CO -0.51 1.62 -0.82 0.78 -1.65 0.00 0.00 177.43 176.85 2qxu h ASN 51 N -0.25 0.06 -0.11 5.81 4.21 -1.15 -3.28 115.58 120.87 2qxu h ASN 51 Ca -0.29 -0.05 0.04 0.00 1.21 0.00 0.00 56.30 57.21 2qxu h ASN 51 Cb 1.80 -0.02 -0.05 0.00 -1.12 0.00 0.00 38.32 38.93 2qxu h ASN 51 CO 0.09 0.85 -0.20 1.23 -1.29 0.00 0.00 177.43 178.11 2qxu h GLY 52 N 2.27 -0.19 1.11 2.83 0.00 -0.84 0.13 103.07 108.39 2qxu h GLY 52 Ca -0.02 0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.51 2qxu h GLY 52 CO 0.11 -0.18 0.28 -2.55 0.00 0.00 0.00 176.54 174.20 2qxu h PRO 53 N -0.26 1.13 -0.45 4.80 0.11 -1.78 -0.82 132.00 134.72 2qxu h PRO 53 Ca 0.09 -0.21 -0.00 0.00 0.11 0.00 0.00 66.00 65.99 2qxu h PRO 53 Cb 0.40 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.31 2qxu h PRO 53 CO -0.26 0.93 0.27 0.28 -0.21 0.00 0.00 178.00 179.00 2qxu h VAL 54 N 1.10 1.15 -0.44 3.15 2.07 -1.51 -1.05 116.25 120.71 2qxu h VAL 54 Ca 0.25 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 2qxu h VAL 54 Cb 0.24 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 2qxu h VAL 54 CO -0.02 0.15 0.17 0.25 0.02 0.00 0.00 177.57 178.14 2qxu h LEU 55 N 0.59 0.61 -0.28 2.57 5.85 -0.75 -1.07 115.31 122.83 2qxu h LEU 55 Ca 0.16 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.75 2qxu h LEU 55 Cb 0.01 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 2qxu h LEU 55 CO -0.03 0.61 0.03 -1.28 -0.34 0.00 0.00 178.44 177.44 2qxu h SER 56 N 0.56 -0.04 -0.55 1.25 0.87 -0.79 -0.04 113.55 114.81 2qxu h SER 56 Ca 0.15 0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.69 2qxu h SER 56 Cb 0.20 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 2qxu h SER 56 CO -0.01 0.01 0.08 0.03 -0.53 0.00 0.00 176.83 176.42 2qxu h ARG 57 N 0.13 0.96 -0.41 2.24 3.08 -1.05 -2.21 114.38 117.11 2qxu h ARG 57 Ca 0.13 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 2qxu h ARG 57 Cb 0.16 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2qxu h ARG 57 CO -0.20 0.90 0.18 0.35 -1.07 0.00 0.00 179.97 180.13 2qxu h PHE 58 N 0.91 0.62 -0.65 3.04 3.57 -0.56 -1.73 116.94 122.14 2qxu h PHE 58 Ca 0.18 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 2qxu h PHE 58 Cb 0.41 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 2qxu h PHE 58 CO 0.03 0.53 0.15 0.28 -2.23 0.00 0.00 178.31 177.07 2qxu h VAL 59 N 0.53 1.26 -0.78 1.41 2.07 -0.88 -1.97 116.25 117.88 2qxu h VAL 59 Ca 0.14 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 2qxu h VAL 59 Cb 0.16 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 2qxu h VAL 59 CO -0.01 0.36 0.35 -0.61 0.02 0.00 0.00 177.57 177.67 2qxu h GLN 60 N 0.97 1.13 -0.31 1.57 5.75 -1.23 -0.64 115.11 122.36 2qxu h GLN 60 Ca 0.20 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2qxu h GLN 60 Cb 0.37 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 2qxu h GLN 60 CO 0.00 0.89 0.20 -0.22 -2.65 0.00 0.00 178.83 177.05 2qxu h LYS 61 N 1.12 0.41 -0.35 1.69 3.64 -0.97 0.67 116.57 122.77 2qxu h LYS 61 Ca 0.26 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.63 2qxu h LYS 61 Cb 0.15 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 2qxu h LYS 61 CO -0.03 0.28 0.21 0.28 -2.27 0.00 0.00 179.45 177.92 2qxu h VAL 62 N 0.41 1.05 -0.46 2.00 2.07 -0.82 0.67 116.25 121.17 2qxu h VAL 62 Ca 0.11 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2qxu h VAL 62 Cb -0.03 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 2qxu h VAL 62 CO -0.02 0.08 0.22 -0.07 0.02 0.00 0.00 177.57 177.79 2qxu h LEU 63 N 0.43 0.61 -0.33 2.57 3.38 -0.91 -1.54 115.31 119.53 2qxu h LEU 63 Ca 0.14 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2qxu h LEU 63 Cb -0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2qxu h LEU 63 CO -0.06 0.58 0.17 0.44 0.09 0.00 0.00 178.44 179.66 2qxu h ASP 64 N 0.60 0.43 1.04 -0.43 3.32 -0.54 0.12 116.42 120.95 2qxu h ASP 64 Ca 0.16 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 2qxu h ASP 64 Cb 0.13 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2qxu h ASP 64 CO -0.02 0.42 -0.23 -0.33 -1.72 0.00 0.00 179.24 177.36 2qxu h GLU 65 N 0.40 0.00 0.00 3.56 5.08 -0.77 -3.31 114.58 119.54 2qxu h GLU 65 Ca 0.11 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.33 2qxu h GLU 65 Cb 0.10 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2qxu h GLU 65 CO -0.02 0.23 -1.93 0.25 -1.00 0.00 0.00 179.01 176.54 2qxu n THR 66 N -3.34 0.54 -0.75 1.13 -2.24 -0.59 -4.99 114.28 104.04 2qxu n THR 66 Ca 0.01 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 2qxu n THR 66 Cb 0.46 -0.23 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 1.78 0.80 3.78 3.38 0.00 0.40 -5.03 105.19 110.30 2qxu n GLY 67 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.07 2.56 0.03 4.61 0.00 -1.22 -4.97 121.76 119.70 2qxu s ALA 68 Ca 0.00 0.51 0.08 0.00 0.00 0.00 0.00 51.96 52.55 2qxu s ALA 68 Cb 0.00 -3.29 -0.23 0.00 0.00 0.00 0.00 23.12 19.60 2qxu s ALA 68 CO 0.00 -1.11 0.95 -0.22 0.00 0.00 0.00 175.76 175.37 2qxu h LYS 69 N 0.20 0.04 -3.68 0.00 3.64 -1.96 -3.45 116.57 111.37 2qxu h LYS 69 Ca -0.47 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 58.77 2qxu h LYS 69 Cb 1.24 0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 32.95 2qxu h LYS 69 CO 0.55 0.80 -0.26 0.15 -2.27 0.00 0.00 179.45 178.43 2qxu s LYS 70 N -2.65 0.98 0.33 1.90 1.02 -1.26 -4.75 119.74 115.32 2qxu s LYS 70 Ca -0.03 -0.92 0.09 0.00 0.02 0.00 0.00 55.97 55.14 2qxu s LYS 70 Cb 0.09 0.39 -0.06 0.00 -0.52 0.00 0.00 37.83 37.73 2qxu s LYS 70 CO 0.83 -0.35 -0.05 0.14 -0.92 0.00 0.00 175.35 175.00 2qxu s VAL 71 N -3.86 2.50 0.20 3.17 -7.23 -0.15 -4.20 120.40 110.83 2qxu s VAL 71 Ca 0.06 -2.09 0.07 0.00 -1.81 0.00 0.00 61.98 58.22 2qxu s VAL 71 Cb 0.03 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 2qxu s VAL 71 CO -0.09 -0.22 0.03 -1.81 -0.31 0.00 0.00 175.10 172.70 2qxu s ASP 72 N -3.66 4.87 -0.02 4.85 1.01 -0.32 -1.40 116.67 122.00 2qxu s ASP 72 Ca 0.33 -0.40 0.02 0.00 0.71 0.00 0.00 52.55 53.22 2qxu s ASP 72 Cb 0.00 -1.06 0.00 0.00 1.01 0.00 0.00 42.92 42.87 2qxu s ASP 72 CO 0.18 0.06 -0.09 -0.63 0.21 0.00 0.00 175.17 174.90 2qxu s ILE 73 N -1.88 0.76 -0.20 0.77 1.01 0.46 -0.48 121.20 121.64 2qxu s ILE 73 Ca 0.29 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.58 2qxu s ILE 73 Cb -0.09 -0.68 0.01 0.00 0.01 0.00 0.00 42.46 41.72 2qxu s ILE 73 CO 0.20 0.24 -0.15 -0.69 0.00 0.00 0.00 174.94 174.54 2qxu s VAL 74 N 0.16 2.50 0.01 2.92 1.01 -0.78 -0.12 120.40 126.11 2qxu s VAL 74 Ca -0.03 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.21 2qxu s VAL 74 Cb -0.08 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 2qxu s VAL 74 CO 0.00 0.49 -0.20 0.00 0.00 0.00 0.00 175.10 175.39 2qxu s ALA 75 N 1.35 1.64 -0.08 5.51 0.00 0.52 -0.52 121.76 130.18 2qxu s ALA 75 Ca 0.05 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.10 2qxu s ALA 75 Cb -0.14 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 2qxu s ALA 75 CO -0.10 0.38 -0.14 -1.58 0.00 0.00 0.00 175.76 174.32 2qxu s HIS 76 N -0.63 2.73 0.00 0.00 2.46 -0.30 0.59 115.29 120.14 2qxu s HIS 76 Ca 0.07 -0.34 0.00 0.00 0.47 0.00 0.00 55.06 55.26 2qxu s HIS 76 Cb -0.08 -1.70 0.00 0.00 -0.13 0.00 0.00 32.58 30.67 2qxu s HIS 76 CO 0.00 0.04 0.00 0.45 -2.47 0.00 0.00 174.74 172.76 2qxu n SER 77 N 2.75 0.00 0.19 9.88 2.88 0.00 0.09 113.62 129.41 2qxu n SER 77 Ca -0.18 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 0.80 0.00 -0.75 0.00 0.00 64.21 64.78 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 0.00 -1.46 1.85 -1.86 0.24 114.93 113.70 2qxu h MET 78 Ca 0.00 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.09 2qxu h MET 78 Cb 0.00 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.03 2qxu h MET 78 CO 0.00 0.00 -0.00 0.78 -0.40 0.00 0.00 176.91 177.29 2qxu h GLY 79 N 0.00 0.00 1.08 1.39 0.00 -0.33 -0.87 103.07 104.34 2qxu h GLY 79 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.33 2qxu h GLY 79 CO -0.00 0.00 -0.15 -1.33 0.00 0.00 0.00 176.54 175.06 2qxu h GLY 80 N 0.02 1.05 1.01 4.60 0.00 -0.67 -0.38 103.07 108.70 2qxu h GLY 80 Ca -0.00 -0.89 -0.06 0.00 0.00 0.00 0.00 47.33 46.38 2qxu h GLY 80 CO 0.00 0.81 0.09 0.00 0.00 0.00 0.00 176.54 177.44 2qxu h ALA 81 N 0.88 0.73 -0.63 3.60 0.00 -1.30 -1.48 119.26 121.05 2qxu h ALA 81 Ca 0.12 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2qxu h ALA 81 Cb 0.72 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2qxu h ALA 81 CO 0.05 0.47 0.26 -0.91 0.00 0.00 0.00 179.25 179.12 2qxu h ASN 82 N 0.79 0.87 -0.16 0.00 2.35 -1.21 -0.98 115.58 117.25 2qxu h ASN 82 Ca 0.17 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2qxu h ASN 82 Cb 0.41 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 2qxu h ASN 82 CO 0.01 0.80 0.09 0.74 -1.65 0.00 0.00 177.43 177.42 2qxu h THR 83 N 0.89 1.08 -0.33 2.81 2.02 -0.84 -1.16 112.91 117.38 2qxu h THR 83 Ca 0.21 -0.19 -0.05 0.00 0.77 0.00 0.00 66.41 67.15 2qxu h THR 83 Cb 0.19 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 2qxu h THR 83 CO -0.02 0.07 -0.02 -0.07 0.37 0.00 0.00 175.52 175.85 2qxu h LEU 84 N 0.18 0.48 -0.33 2.58 3.38 -1.11 -2.27 115.31 118.22 2qxu h LEU 84 Ca 0.06 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2qxu h LEU 84 Cb 0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2qxu h LEU 84 CO -0.01 0.56 0.01 0.22 0.09 0.00 0.00 178.44 179.31 2qxu h TYR 85 N 0.49 0.62 -0.67 1.13 3.20 -0.88 0.71 116.97 121.57 2qxu h TYR 85 Ca 0.10 -0.11 0.08 0.00 3.14 0.00 0.00 58.73 61.95 2qxu h TYR 85 Cb 0.35 -0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.39 2qxu h TYR 85 CO 0.01 0.69 0.33 -0.92 -1.64 0.00 0.00 178.16 176.62 2qxu h TYR 86 N 0.38 0.59 -0.14 -3.82 3.20 -0.86 0.34 116.97 116.65 2qxu h TYR 86 Ca 0.09 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.86 2qxu h TYR 86 Cb 0.43 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.55 2qxu h TYR 86 CO 0.03 0.22 -0.42 0.82 -1.64 0.00 0.00 178.16 177.18 2qxu h ILE 87 N 0.57 1.36 -0.05 1.81 2.04 -1.25 -1.92 117.51 120.07 2qxu h ILE 87 Ca 0.32 -1.70 -0.10 0.00 1.00 0.00 0.00 64.86 64.38 2qxu h ILE 87 Cb 0.32 2.06 0.01 0.00 -0.74 0.00 0.00 36.82 38.47 2qxu h ILE 87 CO -0.25 0.52 -0.37 0.50 0.00 0.00 0.00 178.15 178.54 2qxu h LYS 88 N 0.15 0.34 0.00 2.37 3.64 -0.51 -3.28 116.57 119.28 2qxu h LYS 88 Ca -0.01 -0.30 -0.04 0.00 -1.27 0.00 0.00 60.65 59.03 2qxu h LYS 88 Cb 1.04 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 2qxu h LYS 88 CO 0.09 0.96 -1.68 0.09 -2.27 0.00 0.00 179.45 176.64 2qxu n ASN 89 N -4.39 1.82 0.00 4.20 5.03 0.12 -5.02 115.26 117.02 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 0.54 1.50 0.00 0.00 -1.02 0.00 0.00 39.78 40.80 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 -2.06 0.00 -0.93 3.41 4.77 -0.86 -5.03 117.00 116.30 2qxu n LEU 90 Ca -0.06 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.01 2qxu n LEU 90 Cb 0.45 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.80 2qxu n LEU 90 CO 0.29 0.00 0.71 -0.90 -1.33 0.00 0.00 177.39 176.16 2qxu n ASP 91 N 0.00 3.92 0.00 -1.43 5.75 -1.18 -4.64 116.55 118.97 2qxu n ASP 91 Ca 0.00 -2.95 0.14 0.00 -0.01 0.00 0.00 54.79 51.97 2qxu n ASP 91 Cb 0.00 -0.53 0.60 0.00 -1.03 0.00 0.00 41.12 40.16 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 -0.38 -1.47 0.44 6.12 0.00 -0.78 -4.16 105.19 104.96 2qxu n GLY 92 Ca 0.21 -0.10 0.26 0.00 0.00 0.00 0.00 46.02 46.39 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 4.86 0.00 -0.50 -0.02 0.00 -1.77 -2.34 103.07 103.31 2qxu h GLY 93 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2qxu h GLY 93 CO 0.00 0.00 -0.23 1.16 0.00 0.00 0.00 176.54 177.47 2qxu n ASN 94 N -4.00 1.53 0.00 0.19 6.94 -1.26 0.40 115.26 119.06 2qxu n ASN 94 Ca 0.15 -2.77 0.00 0.00 -0.02 0.00 0.00 54.58 51.93 2qxu n ASN 94 Cb 0.87 -0.36 0.00 0.00 -2.36 0.00 0.00 39.78 37.93 2qxu n ASN 94 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2qxu n LYS 95 N -0.90 -0.28 -5.25 -3.83 5.02 -0.89 -4.89 118.16 107.14 2qxu n LYS 95 Ca 0.11 -0.43 -0.31 0.00 -2.02 0.00 0.00 58.31 55.67 2qxu n LYS 95 Cb 0.68 -0.93 -0.16 0.00 -0.02 0.00 0.00 35.03 34.61 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 -0.08 1.98 0.00 -0.18 1.01 -1.18 -0.98 120.40 120.98 2qxu s VAL 96 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.92 2qxu s VAL 96 Cb 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.73 2qxu s VAL 96 CO 0.00 0.56 0.00 0.00 0.00 0.00 0.00 175.10 175.66 2qxu n ALA 97 N 2.63 1.05 -2.86 5.51 0.00 -0.49 -4.68 120.51 121.67 2qxu n ALA 97 Ca -0.16 -0.12 -0.34 0.00 0.00 0.00 0.00 53.44 52.81 2qxu n ALA 97 Cb 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.86 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 -3.47 5.21 -0.07 0.00 0.01 -1.26 -1.66 114.94 113.71 2qxu s ASN 98 Ca 0.00 0.00 0.05 0.00 -0.71 0.00 0.00 52.86 52.20 2qxu s ASN 98 Cb 0.00 -1.81 -0.01 0.00 0.41 0.00 0.00 41.25 39.84 2qxu s ASN 98 CO 0.00 0.20 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.87 2qxu s VAL 99 N 0.16 1.93 -0.10 1.60 1.01 0.14 -0.41 120.40 124.74 2qxu s VAL 99 Ca 0.01 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 61.02 2qxu s VAL 99 Cb -0.13 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.62 2qxu s VAL 99 CO 0.02 0.54 -0.08 -0.69 0.00 0.00 0.00 175.10 174.89 2qxu s VAL 100 N 0.06 0.96 0.03 2.92 1.01 0.83 -1.32 120.40 124.90 2qxu s VAL 100 Ca -0.09 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.66 2qxu s VAL 100 Cb -0.15 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 2qxu s VAL 100 CO 0.05 0.35 -0.09 0.42 0.00 0.00 0.00 175.10 175.83 2qxu s THR 101 N 1.52 3.47 -0.27 3.92 -4.23 -0.58 -0.35 115.64 119.12 2qxu s THR 101 Ca 0.01 -0.95 0.02 0.00 -1.18 0.00 0.00 61.69 59.59 2qxu s THR 101 Cb -0.13 -2.53 0.06 0.00 1.34 0.00 0.00 72.50 71.24 2qxu s THR 101 CO -0.06 0.32 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.50 2qxu s LEU 102 N -1.62 3.59 -1.45 4.79 1.43 0.20 -1.03 118.68 124.58 2qxu s LEU 102 Ca 0.18 -1.38 -0.11 0.00 -1.03 0.00 0.00 54.13 51.79 2qxu s LEU 102 Cb -0.11 -1.59 0.07 0.00 0.03 0.00 0.00 46.19 44.58 2qxu s LEU 102 CO 0.09 -0.21 0.75 0.61 0.23 0.00 0.00 176.35 177.82 2qxu n GLY 103 N 4.48 -0.50 3.75 -3.19 0.00 0.98 -0.82 105.19 109.89 2qxu n GLY 103 Ca -0.14 0.15 -0.41 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 -2.99 2.57 -0.53 -0.02 0.00 -1.26 -3.18 107.32 101.91 2qxu s GLY 104 Ca 0.51 1.25 -0.04 0.00 0.00 0.00 0.00 44.72 46.43 2qxu s GLY 104 CO 0.63 2.11 2.84 0.00 0.00 0.00 0.00 173.10 178.68 2qxu n ALA 105 N 1.93 6.51 -0.19 3.20 0.00 -0.71 -2.99 120.51 128.27 2qxu n ALA 105 Ca 0.04 -3.03 -0.02 0.00 0.00 0.00 0.00 53.44 50.43 2qxu n ALA 105 Cb 0.41 -2.27 0.09 0.00 0.00 0.00 0.00 19.45 17.68 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 3.24 0.31 0.03 0.00 2.35 -1.67 -2.46 115.58 117.37 2qxu h ASN 106 Ca 0.41 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 56.22 2qxu h ASN 106 Cb 0.76 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.14 2qxu h ASN 106 CO 0.88 0.20 0.00 0.54 -1.65 0.00 0.00 177.43 177.40 2qxu n ARG 107 N -4.94 0.30 0.00 0.81 1.74 -0.05 -0.81 116.66 113.72 2qxu n ARG 107 Ca 0.07 0.03 0.11 0.00 -0.77 0.00 0.00 57.85 57.29 2qxu n ARG 107 Cb 0.21 -1.50 0.46 0.00 -1.02 0.00 0.00 32.46 30.62 2qxu n ARG 107 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qxu n LEU 108 N -1.05 0.01 0.00 0.55 4.77 -0.92 -3.83 117.00 116.53 2qxu n LEU 108 Ca 0.07 0.50 -0.03 0.00 -0.03 0.00 0.00 56.01 56.53 2qxu n LEU 108 Cb 0.04 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.63 2qxu n LEU 108 CO 0.06 -0.13 -0.40 0.41 -1.33 0.00 0.00 177.39 176.00 2qxu n THR 109 N -1.51 0.63 -3.47 -5.08 -1.04 0.01 -5.08 114.28 98.74 2qxu n THR 109 Ca 0.05 0.12 -0.12 0.00 -2.04 0.00 0.00 64.05 62.07 2qxu n THR 109 Cb 0.26 -1.60 -0.03 0.00 -1.82 0.00 0.00 70.33 67.14 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 -2.08 0.01 -1.86 12.58 -1.32 -0.82 -5.02 115.64 117.14 2qxu s THR 110 Ca -0.04 -0.12 0.18 0.00 -1.21 0.00 0.00 61.69 60.49 2qxu s THR 110 Cb 0.01 -1.03 0.32 0.00 -1.51 0.00 0.00 72.50 70.29 2qxu s THR 110 CO 0.06 -0.07 1.24 0.61 -2.21 0.00 0.00 174.62 174.25 2qxu n GLY 111 N -0.30 1.51 3.62 6.08 0.00 -1.26 -3.02 105.19 111.82 2qxu n GLY 111 Ca -0.17 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.24 2.56 -1.08 1.61 1.02 -1.26 -0.25 119.74 121.10 2qxu s LYS 112 Ca 0.29 -0.73 -0.20 0.00 0.02 0.00 0.00 55.97 55.35 2qxu s LYS 112 Cb 0.17 -2.52 0.08 0.00 -0.52 0.00 0.00 37.83 35.04 2qxu s LYS 112 CO 0.24 0.59 1.44 0.00 -0.92 0.00 0.00 175.35 176.71 2qxu s ALA 113 N -1.05 3.10 -0.01 5.17 0.00 0.01 -4.78 121.76 124.20 2qxu s ALA 113 Ca 0.18 -2.61 -0.34 0.00 0.00 0.00 0.00 51.96 49.20 2qxu s ALA 113 Cb -0.11 -4.42 -0.12 0.00 0.00 0.00 0.00 23.12 18.46 2qxu s ALA 113 CO 0.09 -3.34 1.79 1.28 0.00 0.00 0.00 175.76 175.58 2qxu n LEU 114 N 8.01 3.37 0.28 0.00 4.77 -1.26 -4.77 117.00 127.40 2qxu n LEU 114 Ca 0.35 1.00 0.17 0.00 -0.03 0.00 0.00 56.01 57.50 2qxu n LEU 114 Cb 0.49 -1.40 0.73 0.00 -2.33 0.00 0.00 43.42 40.91 2qxu n LEU 114 CO 0.65 -0.11 0.99 1.55 -1.33 0.00 0.00 177.39 179.14 2qxu h PRO 115 N 8.26 0.00 0.00 3.23 0.13 -1.93 -3.40 132.00 138.29 2qxu h PRO 115 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 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 0.93 0.04 0.00 0.41 -0.23 0.00 0.00 178.00 179.15 2qxu n GLY 116 N -0.15 -2.21 0.56 1.56 0.00 -1.26 -1.12 105.19 102.57 2qxu n GLY 116 Ca -0.00 -1.61 0.05 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.20 1.18 -2.82 2.61 -2.24 0.16 -4.88 114.28 108.10 2qxu n THR 117 Ca 0.00 -1.14 -0.43 0.00 -2.27 0.00 0.00 64.05 60.21 2qxu n THR 117 Cb 0.00 0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 68.58 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 -1.16 6.18 0.32 3.42 -1.08 -1.24 -4.89 116.67 118.22 2qxu s ASP 118 Ca 0.22 -0.94 0.18 0.00 -0.52 0.00 0.00 52.55 51.49 2qxu s ASP 118 Cb 0.13 -2.44 0.97 0.00 -1.46 0.00 0.00 42.92 40.13 2qxu s ASP 118 CO 0.12 -1.49 1.50 -0.81 0.52 0.00 0.00 175.17 175.02 2qxu n PRO 119 N 7.90 0.12 -0.17 4.34 -0.04 -1.26 -1.57 135.00 144.32 2qxu n PRO 119 Ca -0.02 0.61 0.09 0.00 -0.04 0.00 0.00 63.50 64.14 2qxu n PRO 119 Cb 0.46 -2.01 0.18 0.00 -0.04 0.00 0.00 33.50 32.09 2qxu n PRO 119 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2qxu n ASN 120 N -2.16 3.12 -3.15 3.54 3.02 -1.26 -4.89 115.26 113.48 2qxu n ASN 120 Ca -0.01 -1.90 0.05 0.00 -0.03 0.00 0.00 54.58 52.69 2qxu n ASN 120 Cb 0.15 -0.22 -0.01 0.00 -0.61 0.00 0.00 39.78 39.08 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 -1.23 0.20 0.53 3.52 0.74 -0.61 -5.16 119.66 117.65 2qxu s GLN 121 Ca 0.31 0.32 -0.19 0.00 0.05 0.00 0.00 55.36 55.85 2qxu s GLN 121 Cb 0.18 0.17 -0.06 0.00 1.10 0.00 0.00 33.01 34.40 2qxu s GLN 121 CO 0.25 -0.26 1.07 0.15 -0.55 0.00 0.00 175.29 175.95 2qxu s LYS 122 N 2.95 3.54 0.18 1.67 1.02 -1.26 -4.48 119.74 123.36 2qxu s LYS 122 Ca 0.06 1.40 -0.30 0.00 0.02 0.00 0.00 55.97 57.15 2qxu s LYS 122 Cb -0.09 -2.05 -0.09 0.00 -0.52 0.00 0.00 37.83 35.09 2qxu s LYS 122 CO -0.14 -0.66 1.36 0.42 -0.92 0.00 0.00 175.35 175.41 2qxu s ILE 123 N -2.03 3.12 -0.13 2.17 1.01 -0.28 -4.99 121.20 120.06 2qxu s ILE 123 Ca 0.68 0.88 -0.09 0.00 0.00 0.00 0.00 60.65 62.13 2qxu s ILE 123 Cb -0.18 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 2qxu s ILE 123 CO 0.26 0.11 0.16 -0.76 0.00 0.00 0.00 174.94 174.71 2qxu s LEU 124 N 0.24 4.35 0.09 2.97 1.43 -0.66 -4.65 118.68 122.44 2qxu s LEU 124 Ca 0.60 0.45 0.10 0.00 -1.03 0.00 0.00 54.13 54.24 2qxu s LEU 124 Cb -0.38 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.69 2qxu s LEU 124 CO 0.36 0.34 -0.26 -0.31 0.23 0.00 0.00 176.35 176.72 2qxu s TYR 125 N -0.64 2.21 -0.27 0.29 1.51 -0.27 -0.68 117.35 119.50 2qxu s TYR 125 Ca 0.14 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.78 2qxu s TYR 125 Cb -0.12 -1.25 0.09 0.00 -0.11 0.00 0.00 41.96 40.56 2qxu s TYR 125 CO 0.03 0.23 0.09 0.99 -1.11 0.00 0.00 175.55 175.78 2qxu s THR 126 N -0.96 0.47 -0.45 -0.71 2.01 -0.43 -0.88 115.64 114.69 2qxu s THR 126 Ca 0.12 -0.94 -0.15 0.00 0.31 0.00 0.00 61.69 61.03 2qxu s THR 126 Cb -0.10 -1.25 0.05 0.00 0.01 0.00 0.00 72.50 71.21 2qxu s THR 126 CO 0.04 -0.55 0.36 -0.55 -0.69 0.00 0.00 174.62 173.23 2qxu s SER 127 N 1.84 6.12 -0.19 3.53 0.15 0.03 -1.52 113.70 123.66 2qxu s SER 127 Ca 0.06 -1.18 -0.11 0.00 0.70 0.00 0.00 55.95 55.43 2qxu s SER 127 Cb -0.17 -2.17 -0.05 0.00 -1.71 0.00 0.00 66.02 61.92 2qxu s SER 127 CO -0.23 -0.57 0.17 -0.63 1.20 0.00 0.00 173.24 173.17 2qxu s ILE 128 N 1.65 5.39 0.04 6.45 1.01 -0.20 -0.58 121.20 134.97 2qxu s ILE 128 Ca 0.04 0.27 -0.09 0.00 0.00 0.00 0.00 60.65 60.87 2qxu s ILE 128 Cb -0.22 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.75 2qxu s ILE 128 CO 0.08 0.44 0.20 -0.72 0.00 0.00 0.00 174.94 174.93 2qxu s TYR 129 N 0.31 0.06 -0.02 3.97 -0.85 -0.87 -0.02 117.35 119.92 2qxu s TYR 129 Ca 0.10 -0.29 0.07 0.00 -0.52 0.00 0.00 57.07 56.43 2qxu s TYR 129 Cb -0.11 -0.03 -0.02 0.00 0.38 0.00 0.00 41.96 42.18 2qxu s TYR 129 CO -0.00 -0.44 -0.24 0.45 -1.52 0.00 0.00 175.55 173.79 2qxu s SER 130 N -2.14 3.20 0.32 -0.18 0.15 -1.26 -0.66 113.70 113.13 2qxu s SER 130 Ca -0.04 -0.43 0.24 0.00 0.70 0.00 0.00 55.95 56.42 2qxu s SER 130 Cb -0.01 -0.42 1.14 0.00 -1.71 0.00 0.00 66.02 65.02 2qxu s SER 130 CO -0.04 0.32 1.74 0.77 1.20 0.00 0.00 173.24 177.23 2qxu h SER 131 N 5.47 0.00 0.39 5.45 4.64 -1.61 -1.74 113.55 126.16 2qxu h SER 131 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2qxu h SER 131 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2qxu h SER 131 CO 0.48 0.00 -0.45 0.00 -0.87 0.00 0.00 176.83 175.99 2qxu n ALA 132 N -1.81 3.46 -2.04 5.18 0.00 -1.26 -4.86 120.51 119.17 2qxu n ALA 132 Ca 0.01 -0.38 -0.43 0.00 0.00 0.00 0.00 53.44 52.64 2qxu n ALA 132 Cb 0.16 -1.10 -0.03 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 -2.84 6.06 0.00 0.00 -1.08 -0.65 -4.70 116.67 113.45 2qxu s ASP 133 Ca 0.15 1.41 0.27 0.00 -0.52 0.00 0.00 52.55 53.85 2qxu s ASP 133 Cb 0.18 -2.53 0.75 0.00 -1.46 0.00 0.00 42.92 39.86 2qxu s ASP 133 CO 0.65 -1.56 1.57 0.23 0.52 0.00 0.00 175.17 176.58 2qxu n MET 134 N 8.18 1.68 -0.12 4.34 2.81 -1.26 -4.32 117.12 128.43 2qxu n MET 134 Ca 0.21 -1.13 -0.19 0.00 -1.81 0.00 0.00 57.70 54.78 2qxu n MET 134 Cb 0.46 -1.48 -0.12 0.00 -0.71 0.00 0.00 33.22 31.38 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 0.33 1.52 -3.97 2.02 2.08 -1.26 -4.88 119.36 115.20 2qxu n ILE 135 Ca 0.16 -0.56 -0.31 0.00 0.56 0.00 0.00 62.75 62.61 2qxu n ILE 135 Cb 0.42 -1.49 -0.16 0.00 -0.75 0.00 0.00 39.64 37.66 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 -2.52 1.64 0.34 1.39 1.01 -1.26 -5.10 120.40 115.90 2qxu s VAL 136 Ca -0.34 -1.20 -0.29 0.00 0.00 0.00 0.00 61.98 60.16 2qxu s VAL 136 Cb 0.09 -1.82 -0.12 0.00 0.00 0.00 0.00 36.38 34.53 2qxu s VAL 136 CO 0.61 0.00 1.49 0.23 0.00 0.00 0.00 175.10 177.43 2qxu n MET 137 N 4.65 2.58 0.16 2.72 2.81 -1.26 -4.86 117.12 123.92 2qxu n MET 137 Ca -0.13 0.91 0.15 0.00 -1.81 0.00 0.00 57.70 56.82 2qxu n MET 137 Cb 0.45 -2.63 0.72 0.00 -0.71 0.00 0.00 33.22 31.04 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 3.53 0.00 0.35 7.83 2.35 -1.87 -1.40 115.58 126.37 2qxu h ASN 138 Ca -0.49 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.23 2qxu h ASN 138 Cb 1.24 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.61 2qxu h ASN 138 CO 0.69 0.00 -0.14 0.10 -1.65 0.00 0.00 177.43 176.43 2qxu h TYR 139 N 0.00 0.00 0.00 1.19 -0.00 -1.94 -0.80 116.97 115.42 2qxu h TYR 139 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.79 2qxu h TYR 139 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.18 2qxu h TYR 139 CO 0.00 0.14 -0.23 -0.07 -0.00 0.00 0.00 178.16 178.00 2qxu h LEU 140 N 0.00 0.00 0.03 0.10 3.38 -1.56 -3.27 115.31 113.99 2qxu h LEU 140 Ca -0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 2qxu h LEU 140 Cb 0.36 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2qxu h LEU 140 CO 0.02 0.23 -1.58 0.28 0.09 0.00 0.00 178.44 177.48 2qxu h SER 141 N 0.00 0.11 -2.91 -0.43 0.02 -1.06 0.05 113.55 109.33 2qxu h SER 141 Ca -0.00 -0.20 -0.53 0.00 -0.84 0.00 0.00 61.79 60.22 2qxu h SER 141 Cb 0.96 -0.04 0.02 0.00 0.14 0.00 0.00 62.40 63.48 2qxu h SER 141 CO 0.03 1.17 0.81 -0.13 -1.14 0.00 0.00 176.83 177.57 2qxu s ARG 142 N -2.62 4.28 -0.08 3.45 0.52 -0.86 -4.78 118.95 118.86 2qxu s ARG 142 Ca -0.06 2.11 0.03 0.00 -0.52 0.00 0.00 55.73 57.29 2qxu s ARG 142 Cb 0.08 -3.38 -0.02 0.00 0.52 0.00 0.00 34.95 32.16 2qxu s ARG 142 CO 0.82 -0.53 -0.18 -0.51 0.02 0.00 0.00 175.30 174.93 2qxu s LEU 143 N 1.67 2.50 0.02 2.53 1.43 -1.26 -4.85 118.68 120.71 2qxu s LEU 143 Ca 0.66 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 53.11 2qxu s LEU 143 Cb -0.36 -1.51 -0.08 0.00 0.03 0.00 0.00 46.19 44.27 2qxu s LEU 143 CO 0.30 0.24 1.73 -1.81 0.23 0.00 0.00 176.35 177.04 2qxu s ASP 144 N -0.13 6.58 0.00 2.29 1.01 0.66 -2.15 116.67 124.92 2qxu s ASP 144 Ca -0.02 2.45 0.00 0.00 0.71 0.00 0.00 52.55 55.69 2qxu s ASP 144 Cb -0.14 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.25 2qxu s ASP 144 CO 0.04 -0.94 0.00 0.61 0.21 0.00 0.00 175.17 175.08 2qxu n GLY 145 N 4.18 2.92 3.93 0.21 0.00 -1.26 -0.81 105.19 114.36 2qxu n GLY 145 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.83 3.31 -0.68 4.61 0.00 -0.91 -1.32 121.76 123.93 2qxu s ALA 146 Ca 0.00 -0.91 -0.25 0.00 0.00 0.00 0.00 51.96 50.81 2qxu s ALA 146 Cb 0.00 -2.53 0.05 0.00 0.00 0.00 0.00 23.12 20.65 2qxu s ALA 146 CO 0.00 -1.06 1.09 0.50 0.00 0.00 0.00 175.76 176.29 2qxu s ARG 147 N -5.09 3.17 -0.29 0.00 3.52 -0.72 -4.89 118.95 114.65 2qxu s ARG 147 Ca 0.58 -0.54 -0.19 0.00 -0.13 0.00 0.00 55.73 55.45 2qxu s ARG 147 Cb -0.11 -4.19 -0.02 0.00 -1.56 0.00 0.00 34.95 29.08 2qxu s ARG 147 CO 0.44 -1.91 0.56 -0.80 -0.81 0.00 0.00 175.30 172.78 2qxu s ASN 148 N 3.62 6.45 -0.32 -2.12 0.01 -1.26 -0.79 114.94 120.53 2qxu s ASN 148 Ca 0.28 0.44 -0.03 0.00 -0.71 0.00 0.00 52.86 52.84 2qxu s ASN 148 Cb -0.13 -2.30 0.06 0.00 0.41 0.00 0.00 41.25 39.28 2qxu s ASN 148 CO 0.13 -0.39 0.04 -0.69 -1.51 0.00 0.00 177.10 174.69 2qxu s VAL 149 N 2.44 3.17 -0.15 1.60 1.01 0.25 -4.97 120.40 123.76 2qxu s VAL 149 Ca 0.23 -1.43 -0.24 0.00 0.00 0.00 0.00 61.98 60.54 2qxu s VAL 149 Cb -0.15 -2.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 2qxu s VAL 149 CO 0.10 -0.20 0.77 -1.58 0.00 0.00 0.00 175.10 174.20 2qxu s GLN 150 N 1.26 4.31 0.45 2.72 2.00 -1.26 -2.06 119.66 127.09 2qxu s GLN 150 Ca -0.03 0.93 0.03 0.00 -2.00 0.00 0.00 55.36 54.29 2qxu s GLN 150 Cb -0.20 -3.55 -0.03 0.00 0.80 0.00 0.00 33.01 30.03 2qxu s GLN 150 CO -0.01 -0.24 0.04 0.96 -0.50 0.00 0.00 175.29 175.55 2qxu s ILE 151 N 1.84 1.15 0.23 -2.34 -4.36 0.17 -4.98 121.20 112.91 2qxu s ILE 151 Ca 0.37 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.77 2qxu s ILE 151 Cb -0.17 -2.41 -0.05 0.00 1.25 0.00 0.00 42.46 41.08 2qxu s ILE 151 CO 0.13 0.00 0.07 -1.00 0.24 0.00 0.00 174.94 174.39 2qxu s HIS 152 N -2.98 1.40 0.00 1.37 3.76 -1.26 -1.62 115.29 115.96 2qxu s HIS 152 Ca 0.18 -1.15 0.00 0.00 -0.15 0.00 0.00 55.06 53.94 2qxu s HIS 152 Cb 0.04 -0.80 0.00 0.00 1.11 0.00 0.00 32.58 32.93 2qxu s HIS 152 CO 0.10 -0.33 0.00 0.41 -0.85 0.00 0.00 174.74 174.07 2qxu n GLY 153 N -0.38 1.16 3.70 -2.22 0.00 -1.26 -4.91 105.19 101.28 2qxu n GLY 153 Ca -0.02 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 2qxu n GLY 153 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qxu n VAL 154 N 0.00 1.62 -2.65 1.61 0.31 -1.26 -4.82 118.33 113.14 2qxu n VAL 154 Ca 0.00 -0.41 -0.23 0.00 -0.01 0.00 0.00 64.34 63.69 2qxu n VAL 154 Cb 0.00 -1.59 0.10 0.00 -0.91 0.00 0.00 33.84 31.44 2qxu n VAL 154 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2qxu s GLY 155 N -0.07 1.76 0.33 2.92 0.00 -1.26 -4.02 107.32 106.98 2qxu s GLY 155 Ca 0.60 -1.80 0.03 0.00 0.00 0.00 0.00 44.72 43.55 2qxu s GLY 155 CO 0.58 -1.24 1.93 0.84 0.00 0.00 0.00 173.10 175.21 2qxu h HIS 156 N -0.44 0.91 0.09 1.90 2.76 -1.93 -1.56 115.15 116.88 2qxu h HIS 156 Ca -0.35 0.02 -0.31 0.00 -2.20 0.00 0.00 60.37 57.53 2qxu h HIS 156 Cb 1.27 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 29.91 2qxu h HIS 156 CO -0.12 0.48 -1.61 0.82 -1.30 0.00 0.00 177.93 176.20 2qxu h ILE 157 N 0.90 1.04 -0.32 6.26 2.04 -2.00 -3.32 117.51 122.11 2qxu h ILE 157 Ca 0.35 -2.74 0.09 0.00 1.00 0.00 0.00 64.86 63.56 2qxu h ILE 157 Cb 0.23 2.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 2qxu h ILE 157 CO -0.13 0.77 0.28 1.23 0.00 0.00 0.00 178.15 180.30 2qxu h GLY 158 N 2.05 0.00 1.53 5.37 0.00 -1.71 -0.63 103.07 109.69 2qxu h GLY 158 Ca -0.27 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.11 2qxu h GLY 158 CO 0.13 0.00 0.19 1.41 0.00 0.00 0.00 176.54 178.27 2qxu h LEU 159 N 0.00 0.00 0.00 3.11 3.38 -1.41 -1.16 115.31 119.23 2qxu h LEU 159 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2qxu h LEU 159 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2qxu h LEU 159 CO -0.00 0.00 -0.55 -0.07 0.09 0.00 0.00 178.44 177.90 2qxu h LEU 160 N 0.00 0.00 -5.97 1.67 3.38 -1.35 -3.38 115.31 109.66 2qxu h LEU 160 Ca 0.07 -0.02 -0.54 0.00 0.09 0.00 0.00 57.88 57.49 2qxu h LEU 160 Cb 0.45 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.80 2qxu h LEU 160 CO -0.00 0.01 -1.06 -1.22 0.09 0.00 0.00 178.44 176.26 2qxu n TYR 161 N -2.78 0.52 -4.37 1.13 4.01 -0.46 -4.18 117.16 111.03 2qxu n TYR 161 Ca 0.02 -3.74 -0.22 0.00 -0.16 0.00 0.00 57.90 53.80 2qxu n TYR 161 Cb 0.53 -0.40 -0.16 0.00 -0.31 0.00 0.00 39.34 38.99 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 -1.89 1.32 0.10 7.72 0.15 -1.08 -4.93 113.70 115.08 2qxu s SER 162 Ca 0.38 -0.21 -0.19 0.00 0.70 0.00 0.00 55.95 56.63 2qxu s SER 162 Cb 0.24 -0.61 -0.07 0.00 -1.71 0.00 0.00 66.02 63.87 2qxu s SER 162 CO -0.09 -0.01 1.62 -1.28 1.20 0.00 0.00 173.24 174.68 2qxu h SER 163 N 7.02 0.36 -0.84 5.45 0.87 -1.97 0.43 113.55 124.87 2qxu h SER 163 Ca -0.35 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.01 2qxu h SER 163 Cb 1.17 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 63.00 2qxu h SER 163 CO 0.48 0.45 0.47 -0.61 -0.53 0.00 0.00 176.83 177.09 2qxu h GLN 164 N 0.24 1.17 -0.37 2.24 4.15 -1.99 -1.84 115.11 118.71 2qxu h GLN 164 Ca 0.08 -0.13 -0.07 0.00 0.77 0.00 0.00 58.65 59.30 2qxu h GLN 164 Cb 0.22 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 2qxu h GLN 164 CO -0.00 0.86 -0.03 0.28 -1.93 0.00 0.00 178.83 178.00 2qxu h VAL 165 N 1.17 1.27 -0.68 2.39 2.07 -1.88 -2.96 116.25 117.62 2qxu h VAL 165 Ca 0.30 -1.05 0.09 0.00 0.82 0.00 0.00 66.70 66.86 2qxu h VAL 165 Cb 0.02 1.20 -0.07 0.00 -1.52 0.00 0.00 31.29 30.92 2qxu h VAL 165 CO -0.05 0.35 0.33 0.78 0.02 0.00 0.00 177.57 179.00 2qxu h ASN 166 N 0.49 0.41 -0.85 0.57 2.35 -0.39 0.10 115.58 118.27 2qxu h ASN 166 Ca 0.10 0.06 0.01 0.00 -0.55 0.00 0.00 56.30 55.93 2qxu h ASN 166 Cb 0.51 -0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.84 2qxu h ASN 166 CO 0.03 0.24 0.56 0.28 -1.65 0.00 0.00 177.43 176.88 2qxu h SER 167 N 0.56 0.97 -0.14 5.81 0.02 -1.25 -0.88 113.55 118.64 2qxu h SER 167 Ca 0.34 -0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 61.11 2qxu h SER 167 Cb 0.37 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2qxu h SER 167 CO -0.27 0.69 -0.48 -0.07 -1.14 0.00 0.00 176.83 175.56 2qxu h LEU 168 N 1.14 0.77 -0.75 5.07 3.38 -1.01 -2.18 115.31 121.72 2qxu h LEU 168 Ca 0.31 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2qxu h LEU 168 Cb -0.11 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 2qxu h LEU 168 CO -0.07 1.12 0.37 0.40 0.09 0.00 0.00 178.44 180.35 2qxu h ILE 169 N 0.56 1.24 -0.28 1.22 5.03 -0.36 -1.08 117.51 123.83 2qxu h ILE 169 Ca 0.03 -0.67 -0.01 0.00 -0.12 0.00 0.00 64.86 64.09 2qxu h ILE 169 Cb 1.04 0.29 -0.01 0.00 -3.03 0.00 0.00 36.82 35.11 2qxu h ILE 169 CO 0.10 0.28 0.14 0.50 -0.68 0.00 0.00 178.15 178.50 2qxu h LYS 170 N 1.06 0.40 -0.20 2.37 3.64 -1.00 0.30 116.57 123.13 2qxu h LYS 170 Ca 0.26 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.61 2qxu h LYS 170 Cb 0.11 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 2qxu h LYS 170 CO -0.03 0.36 0.07 0.93 -2.27 0.00 0.00 179.45 178.51 2qxu h GLU 171 N 0.33 0.16 -0.36 1.90 5.08 -1.05 -0.93 114.58 119.71 2qxu h GLU 171 Ca 0.10 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2qxu h GLU 171 Cb 0.09 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2qxu h GLU 171 CO -0.01 0.11 0.22 0.78 -1.00 0.00 0.00 179.01 179.10 2qxu h GLY 172 N 0.16 0.50 2.00 -3.84 0.00 -1.01 0.22 103.07 101.10 2qxu h GLY 172 Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2qxu h GLY 172 CO -0.09 0.16 0.00 1.41 0.00 0.00 0.00 176.54 178.01 2qxu h LEU 173 N 0.45 0.00 -3.13 3.11 3.38 -0.58 -0.71 115.31 117.84 2qxu h LEU 173 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2qxu h LEU 173 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2qxu h LEU 173 CO -0.05 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.07 2qxu n ASN 174 N -2.76 4.95 0.00 -0.43 3.02 -0.38 -4.88 115.26 114.77 2qxu n ASN 174 Ca -0.01 -2.76 0.00 0.00 -0.03 0.00 0.00 54.58 51.78 2qxu n ASN 174 Cb 0.17 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 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 0.55 0.39 1.31 7.41 0.00 -0.28 -4.95 105.19 109.62 2qxu n GLY 175 Ca 0.23 -0.99 0.05 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.11 2.21 0.00 -0.02 0.00 0.69 -4.92 105.19 101.04 2qxu n GLY 176 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.63 -0.08 3.19 -0.02 0.00 -1.26 -4.67 105.19 102.99 2qxu n GLY 177 Ca 0.18 -1.80 -0.09 0.00 0.00 0.00 0.00 46.02 44.31 2qxu n GLY 177 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2qxu s GLN 178 N -1.60 0.79 -0.29 1.61 0.74 -0.06 -4.74 119.66 116.10 2qxu s GLN 178 Ca 0.00 -0.87 0.02 0.00 0.05 0.00 0.00 55.36 54.55 2qxu s GLN 178 Cb 0.00 0.32 0.20 0.00 1.10 0.00 0.00 33.01 34.62 2qxu s GLN 178 CO 0.00 -0.24 0.67 1.21 -0.55 0.00 0.00 175.29 176.38 2qxu s ASN 179 N -2.63 -1.39 0.00 6.67 3.84 -1.08 -1.11 114.94 119.23 2qxu s ASN 179 Ca 0.02 0.33 0.15 0.00 0.21 0.00 0.00 52.86 53.57 2qxu s ASN 179 Cb 0.03 1.95 0.43 0.00 -0.55 0.00 0.00 41.25 43.11 2qxu s ASN 179 CO -0.09 -0.26 1.35 0.35 -2.79 0.00 0.00 177.10 175.67 2qxu n THR 180 N 5.39 0.57 1.72 -5.21 -2.24 -0.43 -5.01 114.28 109.05 2qxu n THR 180 Ca 0.04 -0.59 0.15 0.00 -2.27 0.00 0.00 64.05 61.38 2qxu n THR 180 Cb 0.54 0.33 0.71 0.00 -2.10 0.00 0.00 70.33 69.80 2qxu n THR 180 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09