#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qxt s ASN 4 N 0.00 5.11 0.45 0.41 0.01 -1.26 -4.96 114.94 114.69 2qxt s ASN 4 Ca 0.00 1.88 -0.25 0.00 -0.71 0.00 0.00 52.86 53.78 2qxt s ASN 4 Cb 0.00 -2.53 -0.08 0.00 0.41 0.00 0.00 41.25 39.05 2qxt s ASN 4 CO 0.00 -1.63 1.33 -2.84 -1.51 0.00 0.00 177.10 172.45 2qxt s PRO 5 N -4.40 3.73 -0.17 -0.60 0.02 -1.26 -4.63 135.00 127.69 2qxt s PRO 5 Ca 0.64 2.20 -0.06 0.00 0.02 0.00 0.00 61.00 63.81 2qxt s PRO 5 Cb -0.18 -2.61 -0.04 0.00 0.02 0.00 0.00 34.50 31.69 2qxt s PRO 5 CO 0.46 -0.70 0.02 0.08 -0.33 0.00 0.00 177.00 176.53 2qxt s VAL 6 N -1.28 4.43 -0.29 3.83 1.01 -0.30 -0.77 120.40 127.03 2qxt s VAL 6 Ca 0.61 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 62.36 2qxt s VAL 6 Cb -0.39 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.03 2qxt s VAL 6 CO 0.49 0.48 0.07 -0.69 0.00 0.00 0.00 175.10 175.45 2qxt s VAL 7 N 0.29 3.89 -0.20 2.92 1.01 0.65 0.65 120.40 129.61 2qxt s VAL 7 Ca 0.01 -0.71 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 2qxt s VAL 7 Cb -0.13 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 2qxt s VAL 7 CO 0.01 0.09 0.33 -0.04 0.00 0.00 0.00 175.10 175.49 2qxt s MET 8 N 1.49 4.17 -0.25 2.72 -1.94 0.60 -2.04 119.30 124.04 2qxt s MET 8 Ca 0.02 0.09 -0.03 0.00 -1.71 0.00 0.00 55.69 54.07 2qxt s MET 8 Cb -0.17 -3.51 0.02 0.00 2.01 0.00 0.00 34.83 33.18 2qxt s MET 8 CO 0.02 0.04 -0.04 0.08 -0.01 0.00 0.00 175.02 175.12 2qxt s VAL 9 N 1.07 3.11 0.67 -6.03 1.01 0.37 -2.20 120.40 118.41 2qxt s VAL 9 Ca 0.16 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.12 2qxt s VAL 9 Cb -0.14 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 2qxt s VAL 9 CO 0.06 0.21 1.07 -1.38 0.00 0.00 0.00 175.10 175.06 2qxt s HIS 10 N 1.37 3.44 0.00 5.22 -3.43 -1.26 -0.82 115.29 119.81 2qxt s HIS 10 Ca 0.01 1.14 0.00 0.00 -0.80 0.00 0.00 55.06 55.41 2qxt s HIS 10 Cb -0.16 -2.94 0.00 0.00 -1.43 0.00 0.00 32.58 28.05 2qxt s HIS 10 CO -0.03 -1.00 0.00 0.41 -2.00 0.00 0.00 174.74 172.12 2qxt n GLY 11 N -2.90 1.01 3.75 -1.38 0.00 -1.07 -3.56 105.19 101.04 2qxt n GLY 11 Ca 0.07 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 2qxt n GLY 11 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qxt n ILE 12 N -0.51 1.22 -1.18 -0.61 5.41 -1.26 -1.30 119.36 121.13 2qxt n ILE 12 Ca 0.00 -0.30 -0.06 0.00 1.00 0.00 0.00 62.75 63.38 2qxt n ILE 12 Cb 0.00 -1.93 -0.03 0.00 -0.71 0.00 0.00 39.64 36.97 2qxt n ILE 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2qxt n GLY 13 N 1.82 0.63 2.55 7.39 0.00 -0.74 -4.95 105.19 111.89 2qxt n GLY 13 Ca 0.07 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 2qxt n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qxt n GLY 14 N 0.33 0.37 3.51 -0.02 0.00 -0.42 -5.13 105.19 103.83 2qxt n GLY 14 Ca -0.06 -1.96 -0.10 0.00 0.00 0.00 0.00 46.02 43.90 2qxt n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qxt s ALA 15 N -3.18 -1.20 0.57 4.61 0.00 -1.26 -4.89 121.76 116.40 2qxt s ALA 15 Ca 0.44 0.03 0.26 0.00 0.00 0.00 0.00 51.96 52.70 2qxt s ALA 15 Cb -0.02 0.85 1.57 0.00 0.00 0.00 0.00 23.12 25.51 2qxt s ALA 15 CO 0.30 -0.81 2.10 0.66 0.00 0.00 0.00 175.76 178.01 2qxt h SER 16 N 2.12 0.00 0.45 0.00 4.64 -1.89 -0.68 113.55 118.19 2qxt h SER 16 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2qxt h SER 16 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2qxt h SER 16 CO 0.37 0.00 0.00 2.22 -0.87 0.00 0.00 176.83 178.55 2qxt n PHE 17 N -4.00 0.00 0.28 4.77 1.16 -1.26 -2.74 117.46 115.67 2qxt n PHE 17 Ca 0.02 0.00 0.15 0.00 -1.87 0.00 0.00 57.45 55.76 2qxt n PHE 17 Cb 0.33 -0.27 0.77 0.00 -1.61 0.00 0.00 39.48 38.69 2qxt n PHE 17 CO 0.00 0.00 0.00 -0.91 -1.87 0.00 0.00 176.76 173.98 2qxt h ASN 18 N 0.00 0.00 -0.54 5.98 2.35 -1.53 -2.45 115.58 119.39 2qxt h ASN 18 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2qxt h ASN 18 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 2qxt h ASN 18 CO 0.00 0.08 0.00 0.49 -1.65 0.00 0.00 177.43 176.35 2qxt n PHE 19 N -3.35 0.95 -0.23 1.19 3.72 -1.11 -4.44 117.46 114.20 2qxt n PHE 19 Ca -0.01 -0.42 -0.03 0.00 -0.05 0.00 0.00 57.45 56.94 2qxt n PHE 19 Cb 0.25 -0.10 0.08 0.00 -0.94 0.00 0.00 39.48 38.78 2qxt n PHE 19 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qxt h ALA 20 N 3.93 0.86 -0.33 4.37 0.00 -1.63 0.26 119.26 126.72 2qxt h ALA 20 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2qxt h ALA 20 Cb 0.96 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2qxt h ALA 20 CO 0.09 0.11 0.01 0.78 0.00 0.00 0.00 179.25 180.24 2qxt h GLY 21 N 0.75 0.62 1.65 0.00 0.00 -1.82 -2.10 103.07 102.16 2qxt h GLY 21 Ca 0.27 -0.44 -0.11 0.00 0.00 0.00 0.00 47.33 47.05 2qxt h GLY 21 CO -0.13 0.41 -0.34 -2.22 0.00 0.00 0.00 176.54 174.26 2qxt h ILE 22 N 0.38 1.29 -0.40 2.60 2.04 -1.68 -2.37 117.51 119.37 2qxt h ILE 22 Ca 0.09 -1.41 -0.05 0.00 1.00 0.00 0.00 64.86 64.50 2qxt h ILE 22 Cb 0.42 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 2qxt h ILE 22 CO 0.01 0.44 0.06 0.50 0.00 0.00 0.00 178.15 179.16 2qxt h LYS 23 N 0.34 0.67 -0.63 2.37 3.64 -0.36 -1.92 116.57 120.67 2qxt h LYS 23 Ca 0.04 -0.18 -0.06 0.00 -1.27 0.00 0.00 60.65 59.18 2qxt h LYS 23 Cb 0.76 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 2qxt h LYS 23 CO 0.06 0.72 0.17 0.77 -2.27 0.00 0.00 179.45 178.89 2qxt h SER 24 N 0.51 0.95 -0.05 4.20 0.02 -1.27 -1.99 113.55 115.92 2qxt h SER 24 Ca 0.12 -0.23 0.01 0.00 -0.84 0.00 0.00 61.79 60.86 2qxt h SER 24 Cb 0.38 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2qxt h SER 24 CO 0.01 0.93 -0.03 0.22 -1.14 0.00 0.00 176.83 176.81 2qxt h TYR 25 N 0.93 -0.07 -0.69 3.45 3.20 -1.28 -1.61 116.97 120.89 2qxt h TYR 25 Ca 0.20 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 2qxt h TYR 25 Cb 0.34 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 2qxt h TYR 25 CO 0.02 -0.05 0.39 -0.07 -1.64 0.00 0.00 178.16 176.81 2qxt h LEU 26 N -0.03 0.83 -0.62 2.82 3.38 -1.20 -1.82 115.31 118.67 2qxt h LEU 26 Ca 0.03 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2qxt h LEU 26 Cb 0.08 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2qxt h LEU 26 CO -0.08 0.66 0.32 0.58 0.09 0.00 0.00 178.44 180.02 2qxt h VAL 27 N 0.95 1.21 0.00 1.22 2.07 -0.97 -0.76 116.25 119.97 2qxt h VAL 27 Ca 0.25 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2qxt h VAL 27 Cb -0.00 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2qxt h VAL 27 CO -0.04 0.24 0.00 -1.54 0.02 0.00 0.00 177.57 176.24 2qxt n SER 28 N -4.53 0.00 -0.50 0.57 3.41 -0.64 -2.19 113.62 109.75 2qxt n SER 28 Ca 0.04 0.10 0.06 0.00 -0.26 0.00 0.00 58.87 58.81 2qxt n SER 28 Cb 0.11 -0.30 0.06 0.00 -0.26 0.00 0.00 64.21 63.82 2qxt n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qxt n GLN 29 N -1.30 0.94 0.00 4.33 1.13 -0.49 -4.99 117.38 117.01 2qxt n GLN 29 Ca 0.07 -1.32 0.00 0.00 -1.94 0.00 0.00 57.00 53.81 2qxt n GLN 29 Cb 0.12 -1.23 0.00 0.00 0.11 0.00 0.00 30.24 29.24 2qxt n GLN 29 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qxt n GLY 30 N 0.64 1.32 3.74 1.08 0.00 -0.93 -5.07 105.19 105.97 2qxt n GLY 30 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2qxt n GLY 30 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qxt s TRP 31 N -2.00 3.64 -0.05 1.61 0.51 -0.41 -4.98 118.94 117.26 2qxt s TRP 31 Ca 0.00 1.64 -0.30 0.00 -2.12 0.00 0.00 56.10 55.32 2qxt s TRP 31 Cb 0.00 -3.23 -0.05 0.00 -0.81 0.00 0.00 33.47 29.38 2qxt s TRP 31 CO 0.00 -0.45 1.55 -1.12 -0.51 0.00 0.00 176.95 176.42 2qxt s SER 32 N -0.11 6.74 0.27 2.95 0.01 -1.26 -4.20 113.70 118.10 2qxt s SER 32 Ca 0.49 2.15 0.00 0.00 1.31 0.00 0.00 55.95 59.90 2qxt s SER 32 Cb -0.28 -2.54 0.61 0.00 0.21 0.00 0.00 66.02 64.02 2qxt s SER 32 CO 0.34 -0.86 1.72 -0.09 0.41 0.00 0.00 173.24 174.75 2qxt h ARG 33 N 8.95 0.43 -0.75 12.44 9.65 -1.93 -0.51 114.38 142.66 2qxt h ARG 33 Ca -0.37 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.48 2qxt h ARG 33 Cb 1.17 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.65 2qxt h ARG 33 CO 0.95 0.29 0.00 -0.40 2.80 0.00 0.00 179.97 183.60 2qxt n ASP 34 N -5.01 1.73 -0.26 -3.80 5.68 -1.26 -2.93 116.55 110.69 2qxt n ASP 34 Ca 0.19 -2.15 0.06 0.00 -0.50 0.00 0.00 54.79 52.39 2qxt n ASP 34 Cb 0.54 -0.44 0.09 0.00 -1.14 0.00 0.00 41.12 40.17 2qxt n ASP 34 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2qxt n LYS 35 N 0.09 0.82 -3.98 0.11 5.02 -0.20 -4.95 118.16 115.07 2qxt n LYS 35 Ca 0.06 -2.05 -0.34 0.00 -2.02 0.00 0.00 58.31 53.96 2qxt n LYS 35 Cb 0.38 -1.13 -0.14 0.00 -0.02 0.00 0.00 35.03 34.11 2qxt n LYS 35 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2qxt s LEU 36 N -1.84 3.60 0.25 -0.35 1.43 -1.15 -1.15 118.68 119.46 2qxt s LEU 36 Ca 0.21 -1.25 0.09 0.00 -1.03 0.00 0.00 54.13 52.15 2qxt s LEU 36 Cb 0.19 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 2qxt s LEU 36 CO 0.01 -0.21 0.04 -0.31 0.23 0.00 0.00 176.35 176.11 2qxt s TYR 37 N 1.21 2.81 -0.12 0.29 1.51 0.21 -4.97 117.35 118.29 2qxt s TYR 37 Ca -0.06 -0.18 -0.05 0.00 -1.01 0.00 0.00 57.07 55.77 2qxt s TYR 37 Cb -0.19 -1.27 0.06 0.00 -0.11 0.00 0.00 41.96 40.45 2qxt s TYR 37 CO -0.03 0.58 0.25 0.00 -1.11 0.00 0.00 175.55 175.24 2qxt s ALA 38 N -2.18 -0.50 0.53 3.71 0.00 -1.26 -0.30 121.76 121.76 2qxt s ALA 38 Ca 0.31 0.89 -0.11 0.00 0.00 0.00 0.00 51.96 53.05 2qxt s ALA 38 Cb -0.07 -0.92 -0.05 0.00 0.00 0.00 0.00 23.12 22.08 2qxt s ALA 38 CO 0.21 -0.55 0.92 0.54 0.00 0.00 0.00 175.76 176.89 2qxt s VAL 39 N 2.18 4.72 -0.23 0.00 0.11 -0.93 -4.85 120.40 121.40 2qxt s VAL 39 Ca -0.01 0.77 0.01 0.00 -2.93 0.00 0.00 61.98 59.82 2qxt s VAL 39 Cb -0.12 -3.81 0.06 0.00 -1.53 0.00 0.00 36.38 30.98 2qxt s VAL 39 CO -0.08 -0.87 -0.05 -1.81 -3.33 0.00 0.00 175.10 168.95 2qxt s ASP 40 N -3.73 3.76 0.18 3.54 1.11 -1.26 -3.84 116.67 116.43 2qxt s ASP 40 Ca 0.54 -1.13 -0.25 0.00 0.18 0.00 0.00 52.55 51.89 2qxt s ASP 40 Cb -0.10 -1.15 -0.08 0.00 1.07 0.00 0.00 42.92 42.66 2qxt s ASP 40 CO 0.43 -0.23 0.78 -0.36 1.18 0.00 0.00 175.17 176.96 2qxt s PHE 41 N 1.42 3.87 -0.30 4.23 0.08 -1.26 -4.97 117.98 121.05 2qxt s PHE 41 Ca -0.05 1.61 0.22 0.00 0.12 0.00 0.00 56.93 58.83 2qxt s PHE 41 Cb -0.19 -2.76 0.12 0.00 -0.57 0.00 0.00 43.02 39.63 2qxt s PHE 41 CO -0.06 0.48 1.27 0.11 -0.10 0.00 0.00 175.22 176.92 2qxt h TRP 42 N 4.16 0.00 -3.21 0.36 5.08 -1.99 -3.43 115.95 116.92 2qxt h TRP 42 Ca -0.47 0.00 -0.62 0.00 1.08 0.00 0.00 58.89 58.88 2qxt h TRP 42 Cb 1.20 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 27.23 2qxt h TRP 42 CO 0.64 0.06 0.48 0.34 -1.28 0.00 0.00 178.44 178.69 2qxt s ASP 43 N -5.78 6.32 0.54 0.11 -1.08 -1.26 -4.90 116.67 110.63 2qxt s ASP 43 Ca 0.02 -0.43 0.35 0.00 -0.52 0.00 0.00 52.55 51.97 2qxt s ASP 43 Cb 0.08 -2.41 1.55 0.00 -1.46 0.00 0.00 42.92 40.67 2qxt s ASP 43 CO 0.74 -1.17 2.03 0.11 0.52 0.00 0.00 175.17 177.40 2qxt h LYS 44 N 9.26 0.00 -0.00 4.34 1.57 -1.97 -2.42 116.57 127.34 2qxt h LYS 44 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2qxt h LYS 44 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2qxt h LYS 44 CO 1.07 0.00 -0.19 0.25 -0.57 0.00 0.00 179.45 180.00 2qxt n THR 45 N -2.99 0.00 -2.84 -0.16 -2.24 -1.26 -1.79 114.28 103.01 2qxt n THR 45 Ca -0.00 -0.03 -0.21 0.00 -2.27 0.00 0.00 64.05 61.54 2qxt n THR 45 Cb 0.24 -0.08 0.02 0.00 -2.10 0.00 0.00 70.33 68.41 2qxt n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qxt n GLY 46 N 1.40 -0.43 3.77 3.38 0.00 -0.91 -4.88 105.19 107.51 2qxt n GLY 46 Ca 0.10 0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2qxt n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qxt s THR 47 N -3.10 3.01 0.30 2.61 -4.23 -1.26 -4.86 115.64 108.10 2qxt s THR 47 Ca 0.22 0.82 -0.00 0.00 -1.18 0.00 0.00 61.69 61.55 2qxt s THR 47 Cb -0.10 -3.45 0.19 0.00 1.34 0.00 0.00 72.50 70.48 2qxt s THR 47 CO 0.27 0.06 1.88 0.78 -0.54 0.00 0.00 174.62 177.07 2qxt h ASN 48 N 2.42 0.77 -0.64 3.99 2.35 -1.95 -0.87 115.58 121.66 2qxt h ASN 48 Ca -0.49 -0.10 0.13 0.00 -0.55 0.00 0.00 56.30 55.29 2qxt h ASN 48 Cb 1.24 -0.20 -0.10 0.00 0.05 0.00 0.00 38.32 39.32 2qxt h ASN 48 CO 0.62 0.70 0.09 0.22 -1.65 0.00 0.00 177.43 177.41 2qxt h TYR 49 N 0.83 0.13 0.13 1.19 3.20 -2.00 0.16 116.97 120.61 2qxt h TYR 49 Ca 0.20 0.04 -0.36 0.00 3.14 0.00 0.00 58.73 61.75 2qxt h TYR 49 Cb 0.18 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 2qxt h TYR 49 CO 0.01 -0.09 -1.95 -0.91 -1.64 0.00 0.00 178.16 173.58 2qxt h ASN 50 N 0.21 0.42 0.59 -2.11 2.35 -1.91 -3.41 115.58 111.71 2qxt h ASN 50 Ca 0.34 -0.94 -0.21 0.00 -0.55 0.00 0.00 56.30 54.94 2qxt h ASN 50 Cb 0.54 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 2qxt h ASN 50 CO -0.47 1.84 -0.94 0.78 -1.65 0.00 0.00 177.43 176.99 2qxt h ASN 51 N 0.03 0.29 -0.18 5.81 4.21 -1.08 -3.28 115.58 121.38 2qxt h ASN 51 Ca -0.41 -0.25 0.05 0.00 1.21 0.00 0.00 56.30 56.90 2qxt h ASN 51 Cb 2.01 -0.09 -0.07 0.00 -1.12 0.00 0.00 38.32 39.05 2qxt h ASN 51 CO 0.09 1.08 -0.32 1.23 -1.29 0.00 0.00 177.43 178.22 2qxt h GLY 52 N 1.82 -0.39 0.91 2.83 0.00 -0.86 -0.14 103.07 107.23 2qxt h GLY 52 Ca -0.06 0.39 0.02 0.00 0.00 0.00 0.00 47.33 47.68 2qxt h GLY 52 CO 0.15 -0.22 0.25 -2.55 0.00 0.00 0.00 176.54 174.17 2qxt h PRO 53 N -0.36 0.49 -0.60 4.80 0.11 -1.77 -1.50 132.00 133.17 2qxt h PRO 53 Ca 0.11 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 66.25 2qxt h PRO 53 Cb 0.54 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 31.49 2qxt h PRO 53 CO -0.38 0.32 0.31 0.28 -0.21 0.00 0.00 178.00 178.32 2qxt h VAL 54 N 0.50 0.94 -0.58 3.15 2.07 -1.51 -0.82 116.25 120.01 2qxt h VAL 54 Ca 0.17 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 2qxt h VAL 54 Cb 0.00 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 2qxt h VAL 54 CO -0.07 0.11 0.16 0.25 0.02 0.00 0.00 177.57 178.04 2qxt h LEU 55 N 0.58 0.87 -0.13 2.57 5.85 -0.76 -1.14 115.31 123.15 2qxt h LEU 55 Ca 0.27 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.81 2qxt h LEU 55 Cb 0.19 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 2qxt h LEU 55 CO -0.19 0.86 -0.10 -1.28 -0.34 0.00 0.00 178.44 177.39 2qxt h SER 56 N 0.83 -0.32 -0.19 1.25 0.87 -0.45 0.23 113.55 115.78 2qxt h SER 56 Ca 0.19 0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.75 2qxt h SER 56 Cb 0.31 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 2qxt h SER 56 CO -0.00 -0.13 -0.09 0.03 -0.53 0.00 0.00 176.83 176.11 2qxt h ARG 57 N -0.11 0.54 -0.50 2.24 3.08 -1.04 -1.49 114.38 117.10 2qxt h ARG 57 Ca 0.08 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 59.88 2qxt h ARG 57 Cb 0.23 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 2qxt h ARG 57 CO -0.20 0.63 -0.11 0.35 -1.07 0.00 0.00 179.97 179.58 2qxt h PHE 58 N 0.51 1.07 -0.28 3.04 3.57 -0.63 -1.77 116.94 122.44 2qxt h PHE 58 Ca 0.10 -0.23 -0.12 0.00 3.53 0.00 0.00 57.97 61.25 2qxt h PHE 58 Cb 0.46 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 2qxt h PHE 58 CO 0.02 1.02 -0.30 0.28 -2.23 0.00 0.00 178.31 177.10 2qxt h VAL 59 N 0.82 1.30 -0.84 1.41 2.07 -0.73 -1.57 116.25 118.72 2qxt h VAL 59 Ca 0.13 -1.47 0.04 0.00 0.82 0.00 0.00 66.70 66.22 2qxt h VAL 59 Cb 0.66 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 2qxt h VAL 59 CO 0.05 0.47 0.53 -0.61 0.02 0.00 0.00 177.57 178.03 2qxt h GLN 60 N 0.45 0.97 -0.48 1.57 5.75 -1.23 -0.23 115.11 121.91 2qxt h GLN 60 Ca 0.04 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 2qxt h GLN 60 Cb 0.87 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 29.18 2qxt h GLN 60 CO 0.07 0.64 0.22 0.87 -2.65 0.00 0.00 178.83 177.99 2qxt h LYS 61 N 1.00 0.69 -0.78 1.69 1.57 -1.13 -0.41 116.57 119.21 2qxt h LYS 61 Ca 0.35 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 2qxt h LYS 61 Cb 0.08 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 2qxt h LYS 61 CO -0.14 0.59 0.40 0.28 -0.57 0.00 0.00 179.45 180.02 2qxt h VAL 62 N 0.63 1.24 -0.07 0.50 2.07 -0.53 -0.27 116.25 119.82 2qxt h VAL 62 Ca 0.16 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 2qxt h VAL 62 Cb 0.13 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 2qxt h VAL 62 CO -0.02 0.27 0.02 -0.07 0.02 0.00 0.00 177.57 177.79 2qxt h LEU 63 N 1.08 0.11 -0.53 2.57 3.38 -0.80 -1.15 115.31 119.98 2qxt h LEU 63 Ca 0.27 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2qxt h LEU 63 Cb 0.07 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2qxt h LEU 63 CO -0.04 0.30 0.31 0.44 0.09 0.00 0.00 178.44 179.54 2qxt h ASP 64 N -0.09 0.64 0.23 -0.43 3.32 -0.89 0.47 116.42 119.67 2qxt h ASP 64 Ca 0.02 -0.06 -0.12 0.00 0.02 0.00 0.00 57.03 56.89 2qxt h ASP 64 Cb 0.23 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2qxt h ASP 64 CO -0.00 0.51 -0.46 -0.33 -1.72 0.00 0.00 179.24 177.24 2qxt h GLU 65 N 0.71 0.29 0.00 3.56 5.08 -1.00 -3.26 114.58 119.96 2qxt h GLU 65 Ca 0.19 -0.15 -0.18 0.00 -1.00 0.00 0.00 59.36 58.22 2qxt h GLU 65 Cb -0.00 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2qxt h GLU 65 CO -0.03 0.70 -1.78 0.25 -1.00 0.00 0.00 179.01 177.14 2qxt n THR 66 N -3.98 0.96 -0.85 1.13 -2.24 -0.44 -4.97 114.28 103.88 2qxt n THR 66 Ca -0.02 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 2qxt n THR 66 Cb 0.52 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 2qxt n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qxt n GLY 67 N 1.45 0.79 3.79 3.38 0.00 0.16 -5.03 105.19 109.74 2qxt n GLY 67 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 2qxt n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qxt s ALA 68 N -3.04 2.65 0.03 4.61 0.00 -1.20 -4.98 121.76 119.84 2qxt s ALA 68 Ca 0.00 0.41 -0.06 0.00 0.00 0.00 0.00 51.96 52.32 2qxt s ALA 68 Cb 0.00 -3.25 -0.29 0.00 0.00 0.00 0.00 23.12 19.58 2qxt s ALA 68 CO 0.00 -0.99 0.99 -0.22 0.00 0.00 0.00 175.76 175.54 2qxt h LYS 69 N 0.22 0.30 -3.95 0.00 3.64 -1.96 -3.45 116.57 111.38 2qxt h LYS 69 Ca -0.47 -0.52 -0.11 0.00 -1.27 0.00 0.00 60.65 58.29 2qxt h LYS 69 Cb 1.23 0.19 -0.15 0.00 -0.41 0.00 0.00 32.23 33.09 2qxt h LYS 69 CO 0.56 1.21 -0.51 0.15 -2.27 0.00 0.00 179.45 178.59 2qxt s LYS 70 N -2.63 0.71 0.34 1.90 1.02 -1.26 -4.75 119.74 115.07 2qxt s LYS 70 Ca -0.07 -1.00 0.09 0.00 0.02 0.00 0.00 55.97 55.01 2qxt s LYS 70 Cb 0.06 0.27 -0.05 0.00 -0.52 0.00 0.00 37.83 37.60 2qxt s LYS 70 CO 0.88 -0.19 0.05 0.14 -0.92 0.00 0.00 175.35 175.31 2qxt s VAL 71 N -3.59 2.75 0.09 3.17 -7.23 -0.64 -4.19 120.40 110.77 2qxt s VAL 71 Ca 0.03 -1.89 0.06 0.00 -1.81 0.00 0.00 61.98 58.38 2qxt s VAL 71 Cb 0.05 -2.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 2qxt s VAL 71 CO -0.09 -0.19 -0.07 -1.81 -0.31 0.00 0.00 175.10 172.62 2qxt s ASP 72 N -3.75 4.58 -0.02 4.85 1.01 0.05 -1.86 116.67 121.52 2qxt s ASP 72 Ca 0.36 -0.31 0.06 0.00 0.71 0.00 0.00 52.55 53.37 2qxt s ASP 72 Cb -0.01 -0.95 -0.02 0.00 1.01 0.00 0.00 42.92 42.96 2qxt s ASP 72 CO 0.20 0.18 -0.21 -0.63 0.21 0.00 0.00 175.17 174.93 2qxt s ILE 73 N -1.22 1.67 -0.22 0.77 1.01 0.29 -0.26 121.20 123.24 2qxt s ILE 73 Ca 0.22 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.98 2qxt s ILE 73 Cb -0.11 -1.40 0.05 0.00 0.01 0.00 0.00 42.46 41.02 2qxt s ILE 73 CO 0.14 0.47 -0.07 -0.69 0.00 0.00 0.00 174.94 174.79 2qxt s VAL 74 N -0.44 1.60 0.01 2.92 1.01 -0.87 -0.32 120.40 124.32 2qxt s VAL 74 Ca 0.07 -1.16 0.09 0.00 0.00 0.00 0.00 61.98 60.97 2qxt s VAL 74 Cb -0.09 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 2qxt s VAL 74 CO -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 175.10 174.84 2qxt s ALA 75 N 1.38 2.18 -0.11 5.51 0.00 0.17 -0.48 121.76 130.41 2qxt s ALA 75 Ca -0.04 -1.18 -0.00 0.00 0.00 0.00 0.00 51.96 50.74 2qxt s ALA 75 Cb -0.18 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 2qxt s ALA 75 CO -0.07 0.53 -0.11 -1.58 0.00 0.00 0.00 175.76 174.53 2qxt s HIS 76 N -0.70 2.84 0.00 0.00 5.65 -0.00 0.18 115.29 123.27 2qxt s HIS 76 Ca 0.11 -0.42 0.00 0.00 0.25 0.00 0.00 55.06 54.99 2qxt s HIS 76 Cb -0.10 -1.81 0.00 0.00 -1.18 0.00 0.00 32.58 29.49 2qxt s HIS 76 CO 0.00 -0.05 0.00 0.45 -0.65 0.00 0.00 174.74 174.49 2qxt n SER 77 N 3.17 0.00 0.30 9.88 2.88 -0.32 -0.69 113.62 128.84 2qxt n SER 77 Ca -0.18 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.55 2qxt n SER 77 Cb 0.53 0.00 0.98 0.00 -0.75 0.00 0.00 64.21 64.96 2qxt n SER 77 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 2qxt h MET 78 N 0.00 0.00 0.00 -1.46 1.85 -1.86 0.10 114.93 113.56 2qxt h MET 78 Ca 0.00 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.09 2qxt h MET 78 Cb 0.00 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.03 2qxt h MET 78 CO 0.00 0.00 -0.02 0.78 -0.40 0.00 0.00 176.91 177.27 2qxt h GLY 79 N 0.00 0.00 1.16 1.39 0.00 -0.96 -1.23 103.07 103.43 2qxt h GLY 79 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.24 2qxt h GLY 79 CO -0.00 0.00 -0.12 -1.33 0.00 0.00 0.00 176.54 175.09 2qxt h GLY 80 N 0.05 1.06 0.87 4.60 0.00 -0.98 -0.70 103.07 107.97 2qxt h GLY 80 Ca -0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 47.33 46.44 2qxt h GLY 80 CO 0.00 0.78 0.04 0.00 0.00 0.00 0.00 176.54 177.37 2qxt h ALA 81 N 0.98 0.35 -0.64 3.60 0.00 -1.37 -1.67 119.26 120.52 2qxt h ALA 81 Ca 0.14 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2qxt h ALA 81 Cb 0.67 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2qxt h ALA 81 CO 0.05 0.04 0.38 -0.91 0.00 0.00 0.00 179.25 178.81 2qxt h ASN 82 N 0.26 0.76 -0.20 0.00 2.35 -1.20 -0.74 115.58 116.80 2qxt h ASN 82 Ca 0.08 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 2qxt h ASN 82 Cb 0.33 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 2qxt h ASN 82 CO 0.00 0.59 -0.04 0.74 -1.65 0.00 0.00 177.43 177.08 2qxt h THR 83 N 0.88 1.28 -0.28 2.81 2.02 -0.89 -1.60 112.91 117.13 2qxt h THR 83 Ca 0.23 -0.99 -0.06 0.00 0.77 0.00 0.00 66.41 66.36 2qxt h THR 83 Cb -0.03 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 2qxt h THR 83 CO -0.04 0.30 -0.09 -0.07 0.37 0.00 0.00 175.52 175.98 2qxt h LEU 84 N 0.10 0.43 -0.65 2.58 3.38 -0.96 -2.16 115.31 118.04 2qxt h LEU 84 Ca 0.05 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 2qxt h LEU 84 Cb 0.47 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2qxt h LEU 84 CO 0.02 0.57 0.05 0.22 0.09 0.00 0.00 178.44 179.38 2qxt h TYR 85 N 0.42 1.19 -0.81 1.13 3.20 -1.00 0.28 116.97 121.37 2qxt h TYR 85 Ca 0.08 -0.19 -0.03 0.00 3.14 0.00 0.00 58.73 61.73 2qxt h TYR 85 Cb 0.43 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 2qxt h TYR 85 CO 0.01 1.02 0.38 -0.92 -1.64 0.00 0.00 178.16 177.01 2qxt h TYR 86 N 1.02 1.18 0.07 -3.82 3.20 -0.84 0.27 116.97 118.04 2qxt h TYR 86 Ca 0.19 -0.06 -0.28 0.00 3.14 0.00 0.00 58.73 61.71 2qxt h TYR 86 Cb 0.51 -0.36 0.03 0.00 1.54 0.00 0.00 36.73 38.44 2qxt h TYR 86 CO 0.04 0.86 -1.15 0.82 -1.64 0.00 0.00 178.16 177.09 2qxt h ILE 87 N 1.16 1.28 0.03 1.81 2.04 -1.07 -1.81 117.51 120.95 2qxt h ILE 87 Ca 0.28 -2.37 -0.12 0.00 1.00 0.00 0.00 64.86 63.64 2qxt h ILE 87 Cb 0.14 2.55 0.01 0.00 -0.74 0.00 0.00 36.82 38.78 2qxt h ILE 87 CO -0.03 0.73 -0.50 0.50 0.00 0.00 0.00 178.15 178.84 2qxt h LYS 88 N 0.33 0.29 0.00 2.37 3.64 -0.36 -3.32 116.57 119.53 2qxt h LYS 88 Ca -0.16 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2qxt h LYS 88 Cb 1.82 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.75 2qxt h LYS 88 CO 0.22 1.07 -1.56 0.09 -2.27 0.00 0.00 179.45 177.00 2qxt n ASN 89 N -4.31 2.10 0.00 4.20 5.03 0.07 -5.03 115.26 117.32 2qxt n ASN 89 Ca -0.11 -0.01 0.00 0.00 0.87 0.00 0.00 54.58 55.33 2qxt n ASN 89 Cb 0.64 1.57 0.00 0.00 -1.02 0.00 0.00 39.78 40.97 2qxt n ASN 89 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2qxt n LEU 90 N -1.93 0.00 -2.04 3.41 4.77 -0.96 -5.03 117.00 115.22 2qxt n LEU 90 Ca -0.02 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.89 2qxt n LEU 90 Cb 0.33 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.72 2qxt n LEU 90 CO 0.27 0.00 1.06 -0.90 -1.33 0.00 0.00 177.39 176.49 2qxt n ASP 91 N 0.00 4.86 -0.03 -1.43 5.75 -1.19 -4.52 116.55 119.99 2qxt n ASP 91 Ca 0.00 -3.24 0.13 0.00 -0.01 0.00 0.00 54.79 51.67 2qxt n ASP 91 Cb 0.00 -0.76 0.43 0.00 -1.03 0.00 0.00 41.12 39.77 2qxt n ASP 91 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qxt n GLY 92 N -0.18 -1.27 0.48 6.12 0.00 -0.72 -4.31 105.19 105.32 2qxt n GLY 92 Ca 0.42 -0.25 0.30 0.00 0.00 0.00 0.00 46.02 46.49 2qxt n GLY 92 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qxt h GLY 93 N 4.99 0.00 -0.20 -0.02 0.00 -1.78 -1.97 103.07 104.08 2qxt h GLY 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qxt h GLY 93 CO 0.00 0.00 -0.10 1.16 0.00 0.00 0.00 176.54 177.60 2qxt n ASN 94 N -4.05 1.56 -0.22 0.19 6.94 -1.26 -0.49 115.26 117.92 2qxt n ASN 94 Ca 0.20 -2.42 0.02 0.00 -0.02 0.00 0.00 54.58 52.36 2qxt n ASN 94 Cb 1.05 -0.24 0.04 0.00 -2.36 0.00 0.00 39.78 38.26 2qxt n ASN 94 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2qxt n LYS 95 N -0.79 0.93 -4.55 -3.83 5.02 -0.75 -4.86 118.16 109.33 2qxt n LYS 95 Ca 0.08 -1.15 -0.22 0.00 -2.02 0.00 0.00 58.31 55.00 2qxt n LYS 95 Cb 0.55 -1.10 -0.14 0.00 -0.02 0.00 0.00 35.03 34.32 2qxt n LYS 95 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2qxt s VAL 96 N -0.63 1.15 0.00 -0.18 1.01 -1.20 -1.61 120.40 118.94 2qxt s VAL 96 Ca 0.07 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 2qxt s VAL 96 Cb 0.04 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.43 2qxt s VAL 96 CO 0.06 0.20 -0.01 0.00 0.00 0.00 0.00 175.10 175.35 2qxt n ALA 97 N 2.37 2.09 -2.83 5.51 0.00 -0.78 -4.75 120.51 122.13 2qxt n ALA 97 Ca -0.16 -0.10 -0.35 0.00 0.00 0.00 0.00 53.44 52.84 2qxt n ALA 97 Cb 0.55 0.02 -0.10 0.00 0.00 0.00 0.00 19.45 19.92 2qxt n ALA 97 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2qxt s ASN 98 N -4.83 5.63 -0.11 0.00 0.01 -1.26 -1.19 114.94 113.18 2qxt s ASN 98 Ca -0.01 0.05 0.03 0.00 -0.71 0.00 0.00 52.86 52.21 2qxt s ASN 98 Cb 0.00 -1.98 -0.00 0.00 0.41 0.00 0.00 41.25 39.68 2qxt s ASN 98 CO 0.01 0.13 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.84 2qxt s VAL 99 N 0.62 2.34 -0.15 1.60 1.01 0.30 -0.55 120.40 125.58 2qxt s VAL 99 Ca 0.04 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 2qxt s VAL 99 Cb -0.13 -1.93 0.03 0.00 0.00 0.00 0.00 36.38 34.36 2qxt s VAL 99 CO 0.01 0.55 -0.06 -0.69 0.00 0.00 0.00 175.10 174.91 2qxt s VAL 100 N 0.41 1.09 0.06 2.92 1.01 0.57 -1.12 120.40 125.33 2qxt s VAL 100 Ca -0.15 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.36 2qxt s VAL 100 Cb -0.17 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 2qxt s VAL 100 CO 0.07 0.23 -0.01 0.42 0.00 0.00 0.00 175.10 175.80 2qxt s THR 101 N 1.66 4.00 -0.26 3.92 -4.23 -0.77 -0.66 115.64 119.30 2qxt s THR 101 Ca 0.02 -0.87 0.03 0.00 -1.18 0.00 0.00 61.69 59.69 2qxt s THR 101 Cb -0.14 -2.86 0.06 0.00 1.34 0.00 0.00 72.50 70.90 2qxt s THR 101 CO -0.08 0.21 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.35 2qxt s LEU 102 N -2.02 3.32 -1.42 4.79 1.43 0.13 -0.94 118.68 123.97 2qxt s LEU 102 Ca 0.23 -1.37 -0.08 0.00 -1.03 0.00 0.00 54.13 51.89 2qxt s LEU 102 Cb -0.12 -1.49 0.04 0.00 0.03 0.00 0.00 46.19 44.65 2qxt s LEU 102 CO 0.15 -0.20 0.60 0.61 0.23 0.00 0.00 176.35 177.75 2qxt n GLY 103 N 4.47 -0.50 3.77 -3.19 0.00 0.12 -1.18 105.19 108.67 2qxt n GLY 103 Ca -0.14 0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2qxt n GLY 103 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qxt s GLY 104 N -2.78 2.92 -0.53 -0.02 0.00 -1.26 -3.26 107.32 102.39 2qxt s GLY 104 Ca 0.39 1.29 -0.03 0.00 0.00 0.00 0.00 44.72 46.36 2qxt s GLY 104 CO 0.48 1.98 2.62 0.00 0.00 0.00 0.00 173.10 178.17 2qxt n ALA 105 N 0.96 6.45 -0.36 3.20 0.00 -0.54 -2.82 120.51 127.41 2qxt n ALA 105 Ca 0.01 -3.24 0.09 0.00 0.00 0.00 0.00 53.44 50.30 2qxt n ALA 105 Cb 0.41 -2.11 0.27 0.00 0.00 0.00 0.00 19.45 18.03 2qxt n ALA 105 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2qxt h ASN 106 N 2.97 0.88 0.00 0.00 2.35 -1.55 -2.14 115.58 118.10 2qxt h ASN 106 Ca 0.43 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 56.24 2qxt h ASN 106 Cb 0.59 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.85 2qxt h ASN 106 CO 0.99 0.42 0.00 0.54 -1.65 0.00 0.00 177.43 177.73 2qxt n ARG 107 N -4.66 0.66 0.00 0.81 1.74 -0.32 -1.43 116.66 113.47 2qxt n ARG 107 Ca 0.20 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.41 2qxt n ARG 107 Cb 0.42 -1.33 0.64 0.00 -1.02 0.00 0.00 32.46 31.17 2qxt n ARG 107 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qxt n LEU 108 N -0.83 0.00 0.02 0.55 4.77 -0.80 -3.97 117.00 116.73 2qxt n LEU 108 Ca 0.10 0.37 -0.00 0.00 -0.03 0.00 0.00 56.01 56.45 2qxt n LEU 108 Cb 0.05 -0.37 -0.00 0.00 -2.33 0.00 0.00 43.42 40.77 2qxt n LEU 108 CO 0.08 -0.04 -0.33 0.41 -1.33 0.00 0.00 177.39 176.18 2qxt n THR 109 N -1.37 0.42 -3.48 -5.08 -1.04 -0.51 -5.08 114.28 98.14 2qxt n THR 109 Ca 0.10 0.14 -0.10 0.00 -2.04 0.00 0.00 64.05 62.15 2qxt n THR 109 Cb 0.25 -1.53 -0.02 0.00 -1.82 0.00 0.00 70.33 67.21 2qxt n THR 109 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2qxt s THR 110 N -2.00 0.00 -1.93 12.58 -1.32 -0.82 -5.02 115.64 117.14 2qxt s THR 110 Ca -0.00 -0.07 0.18 0.00 -1.21 0.00 0.00 61.69 60.58 2qxt s THR 110 Cb 0.00 -1.08 0.30 0.00 -1.51 0.00 0.00 72.50 70.21 2qxt s THR 110 CO 0.00 0.00 1.23 0.61 -2.21 0.00 0.00 174.62 174.25 2qxt n GLY 111 N -0.35 1.40 3.62 6.08 0.00 -1.26 -3.26 105.19 111.42 2qxt n GLY 111 Ca -0.13 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 2qxt n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qxt s LYS 112 N -1.28 2.56 -0.94 1.61 2.20 -1.26 0.07 119.74 122.69 2qxt s LYS 112 Ca 0.29 -0.74 -0.23 0.00 -0.36 0.00 0.00 55.97 54.93 2qxt s LYS 112 Cb 0.17 -2.52 0.07 0.00 -1.51 0.00 0.00 37.83 34.03 2qxt s LYS 112 CO 0.24 0.59 1.33 0.00 -0.36 0.00 0.00 175.35 177.16 2qxt s ALA 113 N -1.07 2.87 -0.02 3.13 0.00 -0.50 -4.81 121.76 121.37 2qxt s ALA 113 Ca 0.19 -2.23 -0.30 0.00 0.00 0.00 0.00 51.96 49.62 2qxt s ALA 113 Cb -0.11 -4.36 -0.09 0.00 0.00 0.00 0.00 23.12 18.56 2qxt s ALA 113 CO 0.10 -3.40 2.01 1.28 0.00 0.00 0.00 175.76 175.75 2qxt n LEU 114 N 8.40 3.92 0.22 0.00 4.77 -1.26 -4.82 117.00 128.23 2qxt n LEU 114 Ca 0.25 0.79 0.15 0.00 -0.03 0.00 0.00 56.01 57.17 2qxt n LEU 114 Cb 0.50 -1.51 0.68 0.00 -2.33 0.00 0.00 43.42 40.75 2qxt n LEU 114 CO 0.63 0.02 0.95 1.55 -1.33 0.00 0.00 177.39 179.21 2qxt h PRO 115 N 11.23 0.00 0.00 3.23 0.13 -1.89 -3.41 132.00 141.30 2qxt h PRO 115 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2qxt h PRO 115 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2qxt h PRO 115 CO 0.95 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.13 2qxt n GLY 116 N -0.28 -1.71 0.11 1.56 0.00 -1.26 -0.98 105.19 102.63 2qxt n GLY 116 Ca 0.00 -1.60 0.06 0.00 0.00 0.00 0.00 46.02 44.49 2qxt n GLY 116 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qxt n THR 117 N 0.00 0.00 -2.32 2.61 -2.24 0.35 -4.92 114.28 107.76 2qxt n THR 117 Ca 0.00 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 2qxt n THR 117 Cb 0.00 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.26 2qxt n THR 117 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2qxt s ASP 118 N -2.07 6.10 0.49 3.42 -1.08 -1.26 -4.85 116.67 117.43 2qxt s ASP 118 Ca 0.07 0.52 0.32 0.00 -0.52 0.00 0.00 52.55 52.95 2qxt s ASP 118 Cb 0.10 -2.54 1.36 0.00 -1.46 0.00 0.00 42.92 40.38 2qxt s ASP 118 CO 0.48 -1.69 1.95 1.55 0.52 0.00 0.00 175.17 177.98 2qxt h PRO 119 N 11.42 0.00 0.00 4.34 0.13 -1.95 -2.74 132.00 143.20 2qxt h PRO 119 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2qxt h PRO 119 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2qxt h PRO 119 CO 1.14 0.00 -0.82 0.09 -0.23 0.00 0.00 178.00 178.18 2qxt n ASN 120 N -2.90 0.68 -3.43 1.44 4.13 -1.26 -4.87 115.26 109.05 2qxt n ASN 120 Ca 0.01 0.04 0.01 0.00 1.68 0.00 0.00 54.58 56.32 2qxt n ASN 120 Cb 0.27 0.43 -0.03 0.00 -1.54 0.00 0.00 39.78 38.91 2qxt n ASN 120 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 2qxt s GLN 121 N -3.21 0.48 0.41 3.52 -0.44 -1.03 -5.15 119.66 114.24 2qxt s GLN 121 Ca 0.04 1.10 -0.24 0.00 -2.50 0.00 0.00 55.36 53.76 2qxt s GLN 121 Cb 0.13 0.65 -0.09 0.00 -1.64 0.00 0.00 33.01 32.06 2qxt s GLN 121 CO 0.76 -0.28 1.08 0.15 0.50 0.00 0.00 175.29 177.50 2qxt s LYS 122 N 2.79 4.07 0.25 1.67 1.02 -1.25 -4.44 119.74 123.84 2qxt s LYS 122 Ca 0.02 1.57 -0.31 0.00 0.02 0.00 0.00 55.97 57.27 2qxt s LYS 122 Cb -0.11 -2.51 -0.11 0.00 -0.52 0.00 0.00 37.83 34.58 2qxt s LYS 122 CO -0.18 -0.24 1.58 0.42 -0.92 0.00 0.00 175.35 176.00 2qxt s ILE 123 N -1.64 2.28 -0.07 2.17 1.01 -0.15 -4.97 121.20 119.84 2qxt s ILE 123 Ca 0.59 0.22 -0.07 0.00 0.00 0.00 0.00 60.65 61.40 2qxt s ILE 123 Cb -0.23 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 2qxt s ILE 123 CO 0.29 0.03 0.20 -0.76 0.00 0.00 0.00 174.94 174.70 2qxt s LEU 124 N 0.08 4.39 0.01 2.97 1.43 -0.34 -4.64 118.68 122.59 2qxt s LEU 124 Ca 0.65 0.52 0.06 0.00 -1.03 0.00 0.00 54.13 54.34 2qxt s LEU 124 Cb -0.46 -2.32 -0.02 0.00 0.03 0.00 0.00 46.19 43.42 2qxt s LEU 124 CO 0.41 0.35 -0.20 -0.31 0.23 0.00 0.00 176.35 176.84 2qxt s TYR 125 N -1.13 1.77 -0.27 0.29 1.51 -0.03 -0.53 117.35 118.96 2qxt s TYR 125 Ca 0.20 -0.35 -0.01 0.00 -1.01 0.00 0.00 57.07 55.90 2qxt s TYR 125 Cb -0.13 -1.10 0.08 0.00 -0.11 0.00 0.00 41.96 40.70 2qxt s TYR 125 CO 0.09 0.02 0.06 0.99 -1.11 0.00 0.00 175.55 175.60 2qxt s THR 126 N -0.59 0.81 -0.40 -0.71 2.01 -0.28 -1.12 115.64 115.35 2qxt s THR 126 Ca 0.07 -1.10 -0.16 0.00 0.31 0.00 0.00 61.69 60.82 2qxt s THR 126 Cb -0.08 -1.47 0.02 0.00 0.01 0.00 0.00 72.50 70.98 2qxt s THR 126 CO 0.00 -0.47 0.34 -0.55 -0.69 0.00 0.00 174.62 173.25 2qxt s SER 127 N 1.68 6.14 -0.21 3.53 0.15 -0.15 -1.85 113.70 123.00 2qxt s SER 127 Ca 0.05 -0.75 -0.09 0.00 0.70 0.00 0.00 55.95 55.86 2qxt s SER 127 Cb -0.17 -2.18 -0.05 0.00 -1.71 0.00 0.00 66.02 61.91 2qxt s SER 127 CO -0.18 -0.46 0.12 -0.63 1.20 0.00 0.00 173.24 173.28 2qxt s ILE 128 N 1.84 5.24 0.00 6.45 1.01 -0.12 -0.66 121.20 134.97 2qxt s ILE 128 Ca 0.08 0.13 -0.12 0.00 0.00 0.00 0.00 60.65 60.74 2qxt s ILE 128 Cb -0.18 -3.40 0.01 0.00 0.01 0.00 0.00 42.46 38.90 2qxt s ILE 128 CO 0.11 0.42 0.24 -0.72 0.00 0.00 0.00 174.94 174.99 2qxt s TYR 129 N 0.54 -0.07 -0.11 3.97 -0.85 -0.93 0.14 117.35 120.04 2qxt s TYR 129 Ca 0.07 0.05 -0.02 0.00 -0.52 0.00 0.00 57.07 56.64 2qxt s TYR 129 Cb -0.12 0.03 -0.03 0.00 0.38 0.00 0.00 41.96 42.22 2qxt s TYR 129 CO -0.00 -0.37 -0.01 0.45 -1.52 0.00 0.00 175.55 174.10 2qxt s SER 130 N -1.49 5.10 0.27 -0.18 0.15 -1.26 -1.01 113.70 115.27 2qxt s SER 130 Ca -0.12 0.06 0.22 0.00 0.70 0.00 0.00 55.95 56.81 2qxt s SER 130 Cb -0.05 -1.54 1.01 0.00 -1.71 0.00 0.00 66.02 63.74 2qxt s SER 130 CO 0.02 0.32 1.67 -1.54 1.20 0.00 0.00 173.24 174.91 2qxt n SER 131 N 2.55 0.60 -1.03 5.45 3.41 -0.30 -1.60 113.62 122.69 2qxt n SER 131 Ca -0.18 0.69 0.12 0.00 -0.26 0.00 0.00 58.87 59.24 2qxt n SER 131 Cb 0.53 -0.80 0.23 0.00 -0.26 0.00 0.00 64.21 63.91 2qxt n SER 131 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qxt n ALA 132 N -1.76 2.44 -2.43 7.33 0.00 -1.26 -4.91 120.51 119.92 2qxt n ALA 132 Ca 0.01 -0.87 -0.43 0.00 0.00 0.00 0.00 53.44 52.15 2qxt n ALA 132 Cb 0.16 -0.90 -0.02 0.00 0.00 0.00 0.00 19.45 18.69 2qxt n ALA 132 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2qxt s ASP 133 N -1.59 6.83 0.00 0.00 -1.08 -0.63 -4.63 116.67 115.57 2qxt s ASP 133 Ca 0.36 1.47 0.23 0.00 -0.52 0.00 0.00 52.55 54.09 2qxt s ASP 133 Cb 0.22 -2.54 0.10 0.00 -1.46 0.00 0.00 42.92 39.24 2qxt s ASP 133 CO 0.31 -0.90 1.18 0.23 0.52 0.00 0.00 175.17 176.51 2qxt n MET 134 N 6.91 1.84 -0.09 4.34 2.81 -1.26 -4.47 117.12 127.20 2qxt n MET 134 Ca 0.14 -1.52 -0.23 0.00 -1.81 0.00 0.00 57.70 54.28 2qxt n MET 134 Cb 0.46 -1.46 -0.12 0.00 -0.71 0.00 0.00 33.22 31.38 2qxt n MET 134 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 2qxt n ILE 135 N 0.75 1.59 -4.07 2.02 5.41 -1.26 -4.84 119.36 118.96 2qxt n ILE 135 Ca 0.12 -0.40 -0.32 0.00 1.00 0.00 0.00 62.75 63.15 2qxt n ILE 135 Cb 0.54 -1.79 -0.15 0.00 -0.71 0.00 0.00 39.64 37.53 2qxt n ILE 135 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2qxt s VAL 136 N -2.48 2.16 0.34 1.39 1.01 -1.26 -5.10 120.40 116.45 2qxt s VAL 136 Ca -0.31 -1.59 -0.29 0.00 0.00 0.00 0.00 61.98 59.80 2qxt s VAL 136 Cb 0.09 -2.25 -0.11 0.00 0.00 0.00 0.00 36.38 34.11 2qxt s VAL 136 CO 0.62 0.01 1.43 -0.32 0.00 0.00 0.00 175.10 176.84 2qxt s MET 137 N 1.11 4.22 0.48 2.72 1.75 -1.26 -4.85 119.30 123.47 2qxt s MET 137 Ca -0.08 2.42 0.24 0.00 -1.25 0.00 0.00 55.69 57.02 2qxt s MET 137 Cb -0.19 -3.03 1.29 0.00 2.84 0.00 0.00 34.83 35.73 2qxt s MET 137 CO -0.06 -0.41 1.88 -0.91 -0.65 0.00 0.00 175.02 174.87 2qxt h ASN 138 N 3.60 0.20 0.23 1.11 2.35 -1.88 -0.95 115.58 120.24 2qxt h ASN 138 Ca -0.49 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.25 2qxt h ASN 138 Cb 1.23 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.58 2qxt h ASN 138 CO 0.68 0.07 -0.12 0.10 -1.65 0.00 0.00 177.43 176.51 2qxt h TYR 139 N 0.19 0.00 0.00 1.19 -0.00 -1.95 -0.95 116.97 115.46 2qxt h TYR 139 Ca 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 59.16 2qxt h TYR 139 Cb 1.40 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.13 2qxt h TYR 139 CO -0.00 0.12 -0.04 -0.07 -0.00 0.00 0.00 178.16 178.17 2qxt h LEU 140 N 0.00 0.00 0.16 0.10 3.38 -1.47 -3.30 115.31 114.18 2qxt h LEU 140 Ca -0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 2qxt h LEU 140 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2qxt h LEU 140 CO 0.02 0.04 -1.75 0.28 0.09 0.00 0.00 178.44 177.12 2qxt h SER 141 N 0.00 0.54 -3.27 -0.43 0.02 -1.03 -0.57 113.55 108.82 2qxt h SER 141 Ca -0.00 -0.85 -0.53 0.00 -0.84 0.00 0.00 61.79 59.57 2qxt h SER 141 Cb 0.89 -0.18 0.07 0.00 0.14 0.00 0.00 62.40 63.33 2qxt h SER 141 CO 0.01 1.72 0.87 -0.13 -1.14 0.00 0.00 176.83 178.16 2qxt s ARG 142 N -2.58 4.16 -0.05 3.45 0.52 -0.85 -4.76 118.95 118.83 2qxt s ARG 142 Ca -0.15 2.51 0.05 0.00 -0.52 0.00 0.00 55.73 57.62 2qxt s ARG 142 Cb 0.06 -3.05 -0.00 0.00 0.52 0.00 0.00 34.95 32.47 2qxt s ARG 142 CO 0.84 -0.59 -0.20 -0.51 0.02 0.00 0.00 175.30 174.86 2qxt s LEU 143 N -0.28 1.97 -0.12 2.53 1.43 -1.26 -4.84 118.68 118.11 2qxt s LEU 143 Ca 0.64 -0.42 -0.29 0.00 -1.03 0.00 0.00 54.13 53.02 2qxt s LEU 143 Cb -0.46 -1.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.56 2qxt s LEU 143 CO 0.45 0.18 1.74 -1.81 0.23 0.00 0.00 176.35 177.14 2qxt s ASP 144 N 0.02 6.41 0.00 2.29 -0.00 0.11 -2.23 116.67 123.27 2qxt s ASP 144 Ca -0.06 2.05 0.00 0.00 -0.00 0.00 0.00 52.55 54.54 2qxt s ASP 144 Cb -0.13 -2.53 0.00 0.00 -0.00 0.00 0.00 42.92 40.26 2qxt s ASP 144 CO 0.03 -1.17 0.00 0.61 -0.00 0.00 0.00 175.17 174.65 2qxt n GLY 145 N 4.54 2.95 3.95 0.21 0.00 -1.26 -1.41 105.19 114.17 2qxt n GLY 145 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 2qxt n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qxt s ALA 146 N -2.70 3.24 -0.66 4.61 0.00 -0.95 -0.83 121.76 124.47 2qxt s ALA 146 Ca 0.00 -1.15 -0.21 0.00 0.00 0.00 0.00 51.96 50.60 2qxt s ALA 146 Cb 0.00 -2.45 0.09 0.00 0.00 0.00 0.00 23.12 20.76 2qxt s ALA 146 CO 0.00 -1.40 0.89 0.50 0.00 0.00 0.00 175.76 175.75 2qxt s ARG 147 N -5.25 3.14 -0.27 0.00 3.52 -0.28 -4.85 118.95 114.96 2qxt s ARG 147 Ca 0.63 -1.10 -0.20 0.00 -0.13 0.00 0.00 55.73 54.93 2qxt s ARG 147 Cb -0.09 -4.31 -0.02 0.00 -1.56 0.00 0.00 34.95 28.98 2qxt s ARG 147 CO 0.45 -1.72 0.64 -0.80 -0.81 0.00 0.00 175.30 173.06 2qxt s ASN 148 N 3.65 6.56 -0.19 -2.12 0.01 -1.26 -0.97 114.94 120.62 2qxt s ASN 148 Ca 0.19 0.63 0.01 0.00 -0.71 0.00 0.00 52.86 52.99 2qxt s ASN 148 Cb -0.18 -2.34 0.03 0.00 0.41 0.00 0.00 41.25 39.17 2qxt s ASN 148 CO 0.07 -0.41 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.38 2qxt s VAL 149 N 2.56 1.99 0.01 1.60 1.01 0.17 -4.96 120.40 122.78 2qxt s VAL 149 Ca 0.26 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.12 2qxt s VAL 149 Cb -0.15 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 2qxt s VAL 149 CO 0.10 0.43 0.36 -1.58 0.00 0.00 0.00 175.10 174.40 2qxt s GLN 150 N 1.29 3.76 0.36 2.72 0.74 -1.26 -2.18 119.66 125.09 2qxt s GLN 150 Ca 0.03 0.21 0.03 0.00 0.05 0.00 0.00 55.36 55.68 2qxt s GLN 150 Cb -0.14 -3.12 -0.05 0.00 1.10 0.00 0.00 33.01 30.80 2qxt s GLN 150 CO -0.11 0.65 0.08 0.96 -0.55 0.00 0.00 175.29 176.32 2qxt s ILE 151 N -1.21 0.96 0.22 -2.34 -4.36 -0.18 -4.96 121.20 109.32 2qxt s ILE 151 Ca 0.26 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.69 2qxt s ILE 151 Cb -0.15 -2.62 -0.05 0.00 1.25 0.00 0.00 42.46 40.90 2qxt s ILE 151 CO 0.14 0.00 -0.03 -1.00 0.24 0.00 0.00 174.94 174.29 2qxt s HIS 152 N -3.28 1.53 0.00 1.37 3.76 -1.26 -1.15 115.29 116.26 2qxt s HIS 152 Ca 0.31 -0.87 0.00 0.00 -0.15 0.00 0.00 55.06 54.35 2qxt s HIS 152 Cb 0.06 -0.86 0.00 0.00 1.11 0.00 0.00 32.58 32.89 2qxt s HIS 152 CO 0.15 0.01 0.00 0.41 -0.85 0.00 0.00 174.74 174.46 2qxt n GLY 153 N -0.38 2.46 3.75 -2.22 0.00 -1.26 -4.94 105.19 102.60 2qxt n GLY 153 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 2qxt n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qxt s VAL 154 N -0.44 4.78 0.88 1.61 1.01 -1.26 -4.95 120.40 122.03 2qxt s VAL 154 Ca 0.00 1.50 -0.10 0.00 0.00 0.00 0.00 61.98 63.38 2qxt s VAL 154 Cb 0.00 -4.05 0.18 0.00 0.00 0.00 0.00 36.38 32.51 2qxt s VAL 154 CO 0.00 0.39 1.21 -0.83 0.00 0.00 0.00 175.10 175.87 2qxt s GLY 155 N -0.15 1.78 0.24 4.51 0.00 -1.26 -3.78 107.32 108.66 2qxt s GLY 155 Ca 0.36 -1.50 -0.07 0.00 0.00 0.00 0.00 44.72 43.51 2qxt s GLY 155 CO 0.21 -0.78 1.92 0.84 0.00 0.00 0.00 173.10 175.29 2qxt h HIS 156 N -1.24 1.19 0.06 1.90 2.76 -1.93 -2.24 115.15 115.64 2qxt h HIS 156 Ca -0.40 0.03 -0.27 0.00 -2.20 0.00 0.00 60.37 57.52 2qxt h HIS 156 Cb 1.24 -0.40 -0.02 0.00 1.55 0.00 0.00 27.41 29.78 2qxt h HIS 156 CO -0.89 0.75 -1.36 0.82 -1.30 0.00 0.00 177.93 175.96 2qxt h ILE 157 N 1.28 1.32 -0.01 6.26 1.08 -2.00 -3.28 117.51 122.16 2qxt h ILE 157 Ca 0.35 -3.01 0.00 0.00 -0.39 0.00 0.00 64.86 61.80 2qxt h ILE 157 Cb -0.14 2.75 -0.00 0.00 -3.07 0.00 0.00 36.82 36.35 2qxt h ILE 157 CO -0.07 0.82 0.06 1.23 -0.69 0.00 0.00 178.15 179.50 2qxt h GLY 158 N 2.43 0.00 2.00 5.37 0.00 -1.81 -1.52 103.07 109.54 2qxt h GLY 158 Ca -0.16 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 2qxt h GLY 158 CO 0.14 0.00 -0.01 1.41 0.00 0.00 0.00 176.54 178.08 2qxt h LEU 159 N 0.00 0.00 -0.22 3.11 3.38 -1.48 -1.47 115.31 118.64 2qxt h LEU 159 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qxt h LEU 159 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2qxt h LEU 159 CO -0.00 0.01 -0.30 0.18 0.09 0.00 0.00 178.44 178.42 2qxt n LEU 160 N -3.47 0.63 -2.62 1.67 4.77 -0.57 -4.16 117.00 113.26 2qxt n LEU 160 Ca -0.03 -0.05 -0.11 0.00 -0.03 0.00 0.00 56.01 55.80 2qxt n LEU 160 Cb 0.09 -0.21 0.03 0.00 -2.33 0.00 0.00 43.42 41.00 2qxt n LEU 160 CO 0.24 0.13 -0.01 -1.22 -1.33 0.00 0.00 177.39 175.20 2qxt n TYR 161 N -1.10 1.69 -4.99 -1.77 4.01 -0.56 -4.34 117.16 110.10 2qxt n TYR 161 Ca 0.10 -2.59 -0.28 0.00 -0.16 0.00 0.00 57.90 54.96 2qxt n TYR 161 Cb 0.33 -0.29 -0.16 0.00 -0.31 0.00 0.00 39.34 38.91 2qxt n TYR 161 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2qxt s SER 162 N -3.43 2.53 0.19 7.72 0.15 -1.18 -5.03 113.70 114.65 2qxt s SER 162 Ca 0.33 -0.43 -0.06 0.00 0.70 0.00 0.00 55.95 56.49 2qxt s SER 162 Cb 0.40 -0.88 0.12 0.00 -1.71 0.00 0.00 66.02 63.96 2qxt s SER 162 CO -0.02 0.16 1.58 0.28 1.20 0.00 0.00 173.24 176.44 2qxt h SER 163 N 6.43 0.83 -0.39 5.45 0.02 -1.95 -0.40 113.55 123.52 2qxt h SER 163 Ca -0.29 -0.33 -0.06 0.00 -0.84 0.00 0.00 61.79 60.27 2qxt h SER 163 Cb 1.19 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 2qxt h SER 163 CO 0.47 1.06 0.00 -0.61 -1.14 0.00 0.00 176.83 176.62 2qxt h GLN 164 N 0.68 0.69 -0.31 3.45 4.15 -2.00 -1.68 115.11 120.10 2qxt h GLN 164 Ca 0.08 -0.22 -0.00 0.00 0.77 0.00 0.00 58.65 59.28 2qxt h GLN 164 Cb 0.83 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.44 2qxt h GLN 164 CO 0.07 0.78 0.19 0.28 -1.93 0.00 0.00 178.83 178.22 2qxt h VAL 165 N 0.52 1.11 -0.54 2.39 2.07 -1.87 -2.59 116.25 117.33 2qxt h VAL 165 Ca 0.11 -0.26 0.07 0.00 0.82 0.00 0.00 66.70 67.44 2qxt h VAL 165 Cb 0.47 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 2qxt h VAL 165 CO 0.02 0.11 0.22 0.78 0.02 0.00 0.00 177.57 178.72 2qxt h ASN 166 N 0.40 0.27 -0.32 0.57 2.35 -0.87 -0.47 115.58 117.51 2qxt h ASN 166 Ca 0.11 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 2qxt h ASN 166 Cb 0.01 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 2qxt h ASN 166 CO -0.02 0.18 0.17 0.28 -1.65 0.00 0.00 177.43 176.39 2qxt h SER 167 N 0.43 0.44 0.06 5.81 0.02 -1.07 -1.62 113.55 117.61 2qxt h SER 167 Ca 0.25 -0.03 -0.21 0.00 -0.84 0.00 0.00 61.79 60.96 2qxt h SER 167 Cb 0.24 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2qxt h SER 167 CO -0.23 0.38 -0.79 -0.07 -1.14 0.00 0.00 176.83 174.98 2qxt h LEU 168 N 0.50 0.73 -0.78 5.07 3.38 -0.90 -2.50 115.31 120.80 2qxt h LEU 168 Ca 0.13 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 2qxt h LEU 168 Cb 0.06 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 2qxt h LEU 168 CO -0.02 1.27 0.43 0.40 0.09 0.00 0.00 178.44 180.62 2qxt h ILE 169 N 0.40 1.23 0.04 1.22 2.04 -0.58 -0.17 117.51 121.69 2qxt h ILE 169 Ca -0.05 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.23 2qxt h ILE 169 Cb 1.41 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 2qxt h ILE 169 CO 0.15 0.26 -0.06 0.50 0.00 0.00 0.00 178.15 179.00 2qxt h LYS 170 N 1.08 -0.12 -0.47 2.37 3.64 -1.22 0.11 116.57 121.98 2qxt h LYS 170 Ca 0.28 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.72 2qxt h LYS 170 Cb 0.03 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 2qxt h LYS 170 CO -0.04 -0.08 0.18 0.93 -2.27 0.00 0.00 179.45 178.17 2qxt h GLU 171 N -0.12 0.36 -0.00 1.90 5.08 -1.05 -1.47 114.58 119.27 2qxt h GLU 171 Ca 0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2qxt h GLU 171 Cb 0.13 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 2qxt h GLU 171 CO -0.03 0.24 -0.01 0.78 -1.00 0.00 0.00 179.01 178.99 2qxt h GLY 172 N 0.37 -0.01 2.00 -3.84 0.00 -0.58 0.77 103.07 101.77 2qxt h GLY 172 Ca 0.22 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2qxt h GLY 172 CO -0.21 -0.01 0.00 1.04 0.00 0.00 0.00 176.54 177.36 2qxt n LEU 173 N -5.10 0.60 -1.27 3.11 4.77 0.34 -1.55 117.00 117.90 2qxt n LEU 173 Ca -0.07 0.68 0.08 0.00 -0.03 0.00 0.00 56.01 56.68 2qxt n LEU 173 Cb 0.04 -0.65 0.28 0.00 -2.33 0.00 0.00 43.42 40.77 2qxt n LEU 173 CO 0.32 -0.66 0.73 0.59 -1.33 0.00 0.00 177.39 177.04 2qxt n ASN 174 N -2.20 3.71 0.00 -1.43 3.02 -0.58 -4.89 115.26 112.89 2qxt n ASN 174 Ca 0.01 -2.26 0.00 0.00 -0.03 0.00 0.00 54.58 52.30 2qxt n ASN 174 Cb 0.17 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 2qxt n ASN 174 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qxt n GLY 175 N 1.11 0.67 1.26 7.41 0.00 -0.60 -4.98 105.19 110.06 2qxt n GLY 175 Ca 0.20 -0.63 0.05 0.00 0.00 0.00 0.00 46.02 45.64 2qxt n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qxt n GLY 176 N -2.48 2.20 0.00 -0.02 0.00 0.22 -4.93 105.19 100.18 2qxt n GLY 176 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2qxt n GLY 176 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qxt n GLY 177 N 0.49 -0.06 3.09 -0.02 0.00 -1.26 -4.71 105.19 102.72 2qxt n GLY 177 Ca 0.16 -1.82 -0.08 0.00 0.00 0.00 0.00 46.02 44.29 2qxt n GLY 177 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qxt s GLN 178 N -2.19 0.60 -0.33 1.61 -0.21 -0.34 -4.74 119.66 114.05 2qxt s GLN 178 Ca 0.00 -1.04 0.03 0.00 0.02 0.00 0.00 55.36 54.37 2qxt s GLN 178 Cb 0.00 0.22 0.19 0.00 1.00 0.00 0.00 33.01 34.42 2qxt s GLN 178 CO 0.00 -0.13 0.71 1.21 -2.12 0.00 0.00 175.29 174.97 2qxt s ASN 179 N -2.60 -1.31 -0.25 5.90 3.84 -0.96 -0.85 114.94 118.71 2qxt s ASN 179 Ca 0.02 -0.14 0.09 0.00 0.21 0.00 0.00 52.86 53.04 2qxt s ASN 179 Cb 0.04 1.76 0.63 0.00 -0.55 0.00 0.00 41.25 43.13 2qxt s ASN 179 CO -0.08 -0.21 1.60 0.35 -2.79 0.00 0.00 177.10 175.97 2qxt n THR 180 N 4.94 2.44 1.16 -5.21 -2.24 -0.01 -5.01 114.28 110.36 2qxt n THR 180 Ca 0.07 -1.28 0.13 0.00 -2.27 0.00 0.00 64.05 60.70 2qxt n THR 180 Cb 0.56 -0.40 0.24 0.00 -2.10 0.00 0.00 70.33 68.63 2qxt n THR 180 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09