#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qy0 s GLU 2 N 0.00 1.72 0.20 3.44 2.02 -1.26 -4.51 118.70 120.32 1qy0 s GLU 2 Ca 0.00 -1.42 -0.11 0.00 0.02 0.00 0.00 54.97 53.47 1qy0 s GLU 2 Cb 0.00 -1.97 -0.01 0.00 0.10 0.00 0.00 34.13 32.25 1qy0 s GLU 2 CO 0.00 0.42 0.37 0.00 0.02 0.00 0.00 175.26 176.06 1qy0 s ALA 3 N -1.66 -0.08 0.09 5.21 0.00 -0.49 -4.97 121.76 119.87 1qy0 s ALA 3 Ca 0.22 -0.89 0.10 0.00 0.00 0.00 0.00 51.96 51.39 1qy0 s ALA 3 Cb -0.08 0.98 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 1qy0 s ALA 3 CO 0.12 -0.73 -0.24 0.45 0.00 0.00 0.00 175.76 175.35 1qy0 s SER 4 N -2.99 3.45 0.56 0.00 0.15 -1.26 -1.20 113.70 112.40 1qy0 s SER 4 Ca 0.20 -0.63 0.31 0.00 0.70 0.00 0.00 55.95 56.53 1qy0 s SER 4 Cb 0.02 -0.35 1.63 0.00 -1.71 0.00 0.00 66.02 65.61 1qy0 s SER 4 CO 0.04 0.21 2.13 0.77 1.20 0.00 0.00 173.24 177.59 1qy0 h SER 5 N 4.17 0.00 0.12 5.45 4.64 -0.87 -1.32 113.55 125.74 1qy0 h SER 5 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1qy0 h SER 5 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1qy0 h SER 5 CO 0.43 0.08 -0.10 0.35 -0.87 0.00 0.00 176.83 176.71 1qy0 n THR 6 N -3.51 0.00 -2.77 2.95 -2.24 -1.26 -3.13 114.28 104.32 1qy0 n THR 6 Ca -0.02 -0.17 -0.29 0.00 -2.27 0.00 0.00 64.05 61.30 1qy0 n THR 6 Cb 0.20 0.32 -0.02 0.00 -2.10 0.00 0.00 70.33 68.73 1qy0 n THR 6 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1qy0 s GLY 7 N -2.23 1.78 0.39 3.38 0.00 -0.50 -4.90 107.32 105.24 1qy0 s GLY 7 Ca 0.33 -0.32 0.08 0.00 0.00 0.00 0.00 44.72 44.81 1qy0 s GLY 7 CO 0.42 -0.14 1.95 -0.09 0.00 0.00 0.00 173.10 175.25 1qy0 h ARG 8 N 0.87 0.36 -0.80 2.90 9.65 -1.91 -2.71 114.38 122.74 1qy0 h ARG 8 Ca -0.47 -0.06 -0.12 0.00 -1.10 0.00 0.00 59.98 58.23 1qy0 h ARG 8 Cb 1.19 -0.06 -0.07 0.00 -1.39 0.00 0.00 29.97 29.64 1qy0 h ARG 8 CO 0.63 0.39 0.15 0.27 2.80 0.00 0.00 179.97 184.21 1qy0 n ASN 9 N -4.34 4.09 -4.75 -3.80 2.04 -1.26 -4.94 115.26 102.30 1qy0 n ASN 9 Ca 0.00 -2.81 -0.41 0.00 -0.44 0.00 0.00 54.58 50.93 1qy0 n ASN 9 Cb 0.20 -0.67 -0.04 0.00 -2.53 0.00 0.00 39.78 36.74 1qy0 n ASN 9 CO 0.00 0.00 0.00 0.12 -0.44 0.00 0.00 177.26 176.94 1qy0 s PHE 10 N -2.27 3.60 -0.44 -2.53 5.36 -1.02 -4.98 117.98 115.70 1qy0 s PHE 10 Ca 0.39 1.64 0.04 0.00 -0.96 0.00 0.00 56.93 58.04 1qy0 s PHE 10 Cb 0.31 -3.27 0.12 0.00 -0.34 0.00 0.00 43.02 39.84 1qy0 s PHE 10 CO 0.10 -0.56 0.17 1.21 -1.46 0.00 0.00 175.22 174.68 1qy0 s ASN 11 N -0.40 4.44 0.53 6.13 3.04 -1.26 -4.98 114.94 122.45 1qy0 s ASN 11 Ca 0.48 -2.61 0.18 0.00 0.04 0.00 0.00 52.86 50.95 1qy0 s ASN 11 Cb -0.30 -1.57 1.34 0.00 -1.54 0.00 0.00 41.25 39.17 1qy0 s ASN 11 CO 0.37 -0.30 2.15 1.62 -3.04 0.00 0.00 177.10 177.90 1qy0 h VAL 12 N 5.95 0.93 -0.31 -5.21 3.04 -1.99 -1.21 116.25 117.46 1qy0 h VAL 12 Ca -0.06 0.00 0.06 0.00 -1.01 0.00 0.00 66.70 65.68 1qy0 h VAL 12 Cb 0.95 0.98 -0.02 0.00 -2.01 0.00 0.00 31.29 31.19 1qy0 h VAL 12 CO 0.60 0.00 0.22 -0.33 -1.01 0.00 0.00 177.57 177.05 1qy0 h GLU 13 N 0.00 0.17 0.00 4.17 5.08 -1.97 -2.04 114.58 119.98 1qy0 h GLU 13 Ca 0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1qy0 h GLU 13 Cb 0.07 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1qy0 h GLU 13 CO -0.00 0.11 0.00 1.63 -1.00 0.00 0.00 179.01 179.75 1qy0 n LYS 14 N -4.48 0.06 -0.15 2.33 5.02 -0.46 -1.73 118.16 118.76 1qy0 n LYS 14 Ca 0.04 0.28 0.11 0.00 -2.02 0.00 0.00 58.31 56.72 1qy0 n LYS 14 Cb 0.27 -1.61 0.27 0.00 -0.02 0.00 0.00 35.03 33.93 1qy0 n LYS 14 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1qy0 n ILE 15 N -1.73 0.41 -1.86 -0.18 -5.35 -0.77 -4.83 119.36 105.05 1qy0 n ILE 15 Ca 0.03 -0.60 -0.35 0.00 -0.27 0.00 0.00 62.75 61.56 1qy0 n ILE 15 Cb 0.20 0.72 0.05 0.00 -1.74 0.00 0.00 39.64 38.88 1qy0 n ILE 15 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1qy0 s ASN 16 N -1.48 4.96 0.00 7.28 2.47 -0.70 -4.70 114.94 122.76 1qy0 s ASN 16 Ca 0.36 2.35 0.00 0.00 0.42 0.00 0.00 52.86 55.99 1qy0 s ASN 16 Cb 0.20 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 37.41 1qy0 s ASN 16 CO 0.29 -1.75 0.00 0.61 -3.72 0.00 0.00 177.10 172.53 1qy0 n GLY 17 N 0.39 -0.83 3.73 1.21 0.00 0.20 -4.93 105.19 104.97 1qy0 n GLY 17 Ca 0.13 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 1qy0 n GLY 17 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qy0 s GLU 18 N 0.00 4.32 0.03 1.61 2.12 -1.26 -1.24 118.70 124.27 1qy0 s GLU 18 Ca 0.00 2.16 -0.06 0.00 0.36 0.00 0.00 54.97 57.43 1qy0 s GLU 18 Cb 0.00 -3.19 -0.01 0.00 0.26 0.00 0.00 34.13 31.19 1qy0 s GLU 18 CO 0.00 -0.40 0.10 -1.58 -0.54 0.00 0.00 175.26 172.84 1qy0 s TRP 19 N 0.53 0.19 0.02 5.30 0.52 -0.78 -4.59 118.94 120.12 1qy0 s TRP 19 Ca 0.61 -0.47 0.03 0.00 0.02 0.00 0.00 56.10 56.30 1qy0 s TRP 19 Cb -0.39 -0.13 -0.02 0.00 -1.15 0.00 0.00 33.47 31.78 1qy0 s TRP 19 CO 0.36 -0.35 -0.10 -1.01 0.02 0.00 0.00 176.95 175.87 1qy0 s HIS 20 N -2.47 0.84 -0.17 -1.98 3.76 0.85 -3.40 115.29 112.72 1qy0 s HIS 20 Ca -0.06 -0.31 -0.29 0.00 -0.15 0.00 0.00 55.06 54.25 1qy0 s HIS 20 Cb -0.02 -0.51 -0.01 0.00 1.11 0.00 0.00 32.58 33.15 1qy0 s HIS 20 CO -0.04 -0.02 1.19 0.99 -0.85 0.00 0.00 174.74 176.02 1qy0 s THR 21 N -0.75 4.40 -0.24 1.30 2.01 -1.25 -0.85 115.64 120.26 1qy0 s THR 21 Ca -0.01 1.69 -0.13 0.00 0.31 0.00 0.00 61.69 63.55 1qy0 s THR 21 Cb -0.07 -4.09 -0.10 0.00 0.01 0.00 0.00 72.50 68.25 1qy0 s THR 21 CO 0.00 -0.13 -0.32 -0.38 -0.69 0.00 0.00 174.62 173.10 1qy0 n ILE 22 N 5.26 1.39 -3.99 1.82 2.08 0.33 -4.53 119.36 121.73 1qy0 n ILE 22 Ca 0.13 -0.30 -0.13 0.00 0.56 0.00 0.00 62.75 63.01 1qy0 n ILE 22 Cb 0.45 -1.89 -0.14 0.00 -0.75 0.00 0.00 39.64 37.32 1qy0 n ILE 22 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1qy0 s ILE 23 N -2.50 0.18 0.10 1.39 1.01 -0.91 -0.12 121.20 120.34 1qy0 s ILE 23 Ca -0.34 -0.22 0.09 0.00 0.00 0.00 0.00 60.65 60.18 1qy0 s ILE 23 Cb 0.12 -0.18 -0.04 0.00 0.01 0.00 0.00 42.46 42.38 1qy0 s ILE 23 CO 0.44 -0.03 -0.23 -0.76 0.00 0.00 0.00 174.94 174.36 1qy0 s LEU 24 N -0.27 2.29 0.04 2.97 1.43 -0.48 -0.45 118.68 124.20 1qy0 s LEU 24 Ca -0.01 -0.68 -0.05 0.00 -1.03 0.00 0.00 54.13 52.36 1qy0 s LEU 24 Cb -0.02 -1.01 -0.01 0.00 0.03 0.00 0.00 46.19 45.17 1qy0 s LEU 24 CO -0.00 0.11 0.08 0.00 0.23 0.00 0.00 176.35 176.77 1qy0 s ALA 25 N -1.08 -0.01 -0.15 4.21 0.00 0.83 -0.04 121.76 125.53 1qy0 s ALA 25 Ca 0.09 -0.61 -0.29 0.00 0.00 0.00 0.00 51.96 51.16 1qy0 s ALA 25 Cb -0.10 0.24 0.08 0.00 0.00 0.00 0.00 23.12 23.35 1qy0 s ALA 25 CO 0.04 -0.31 0.78 0.45 0.00 0.00 0.00 175.76 176.72 1qy0 s SER 26 N -2.13 -0.61 0.00 0.00 0.15 -0.95 -0.30 113.70 109.86 1qy0 s SER 26 Ca -0.05 0.88 0.27 0.00 0.70 0.00 0.00 55.95 57.75 1qy0 s SER 26 Cb -0.01 0.79 1.37 0.00 -1.71 0.00 0.00 66.02 66.45 1qy0 s SER 26 CO -0.05 -0.42 1.92 -0.90 1.20 0.00 0.00 173.24 174.99 1qy0 n ASP 27 N 1.50 0.00 -3.83 5.45 5.68 -0.98 -3.90 116.55 120.47 1qy0 n ASP 27 Ca -0.16 -0.13 -0.29 0.00 -0.50 0.00 0.00 54.79 53.71 1qy0 n ASP 27 Cb 0.56 -0.27 -0.13 0.00 -1.14 0.00 0.00 41.12 40.14 1qy0 n ASP 27 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1qy0 s LYS 28 N -2.54 1.84 0.44 0.11 1.02 -1.26 -4.97 119.74 114.38 1qy0 s LYS 28 Ca 0.26 -2.62 0.20 0.00 0.02 0.00 0.00 55.97 53.83 1qy0 s LYS 28 Cb 0.18 -2.92 1.15 0.00 -0.52 0.00 0.00 37.83 35.72 1qy0 s LYS 28 CO 0.40 -1.20 1.88 -0.09 -0.92 0.00 0.00 175.35 175.43 1qy0 h ARG 29 N 6.18 0.32 -0.02 1.68 2.43 -1.93 -1.73 114.38 121.31 1qy0 h ARG 29 Ca 0.03 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1qy0 h ARG 29 Cb 0.86 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1qy0 h ARG 29 CO 0.61 0.21 0.02 1.05 -1.51 0.00 0.00 179.97 180.35 1qy0 h GLU 30 N 0.33 0.00 0.00 0.20 4.11 -1.95 -1.57 114.58 115.70 1qy0 h GLU 30 Ca 0.43 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.84 1qy0 h GLU 30 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1qy0 h GLU 30 CO -0.13 0.00 -0.10 0.87 0.07 0.00 0.00 179.01 179.72 1qy0 h LYS 31 N 0.00 0.00 -0.07 1.06 6.56 -1.71 -2.93 116.57 119.49 1qy0 h LYS 31 Ca 0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 1qy0 h LYS 31 Cb 0.05 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.71 1qy0 h LYS 31 CO -0.00 0.10 0.00 0.44 -2.06 0.00 0.00 179.45 177.93 1qy0 n ILE 32 N -3.53 0.50 -1.71 1.86 -5.35 -0.61 -1.05 119.36 109.47 1qy0 n ILE 32 Ca -0.02 -0.75 -0.30 0.00 -0.27 0.00 0.00 62.75 61.41 1qy0 n ILE 32 Cb 0.24 0.79 0.19 0.00 -1.74 0.00 0.00 39.64 39.12 1qy0 n ILE 32 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1qy0 s GLU 33 N -0.68 0.26 0.25 6.28 2.02 -1.07 -4.62 118.70 121.14 1qy0 s GLU 33 Ca 0.07 -0.29 -0.04 0.00 0.02 0.00 0.00 54.97 54.74 1qy0 s GLU 33 Cb 0.04 -1.79 0.50 0.00 0.10 0.00 0.00 34.13 32.98 1qy0 s GLU 33 CO 0.06 -2.69 1.34 -0.25 0.02 0.00 0.00 175.26 173.74 1qy0 n ASP 34 N -3.99 -0.23 -1.26 -0.19 9.92 -1.26 -0.08 116.55 119.46 1qy0 n ASP 34 Ca 0.14 1.47 0.09 0.00 -0.53 0.00 0.00 54.79 55.97 1qy0 n ASP 34 Cb 0.59 -0.48 0.30 0.00 -0.64 0.00 0.00 41.12 40.89 1qy0 n ASP 34 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1qy0 n ASN 35 N -5.34 4.06 -4.76 -2.24 5.03 -1.26 -4.95 115.26 105.80 1qy0 n ASN 35 Ca 0.16 -2.26 -0.37 0.00 0.87 0.00 0.00 54.58 52.99 1qy0 n ASN 35 Cb 0.52 -0.47 0.02 0.00 -1.02 0.00 0.00 39.78 38.82 1qy0 n ASN 35 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1qy0 s GLY 36 N -1.04 2.76 0.34 7.41 0.00 0.88 -4.92 107.32 112.75 1qy0 s GLY 36 Ca 0.44 1.01 0.27 0.00 0.00 0.00 0.00 44.72 46.43 1qy0 s GLY 36 CO 0.24 1.43 1.78 3.43 0.00 0.00 0.00 173.10 179.99 1qy0 h ASN 37 N 1.40 0.00 -0.69 1.64 -0.26 -1.83 -2.89 115.58 112.95 1qy0 h ASN 37 Ca -0.50 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.24 1qy0 h ASN 37 Cb 1.28 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.54 1qy0 h ASN 37 CO 0.57 0.00 0.00 0.49 -1.06 0.00 0.00 177.43 177.43 1qy0 n PHE 38 N -2.53 0.94 -2.59 1.19 3.01 -0.21 -4.65 117.46 112.61 1qy0 n PHE 38 Ca 0.03 -0.50 -0.43 0.00 1.01 0.00 0.00 57.45 57.55 1qy0 n PHE 38 Cb 0.32 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 1qy0 n PHE 38 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1qy0 n ARG 39 N 1.51 3.33 -4.24 -1.08 0.63 -1.09 -4.76 116.66 110.97 1qy0 n ARG 39 Ca 0.23 -3.51 -0.34 0.00 -0.92 0.00 0.00 57.85 53.31 1qy0 n ARG 39 Cb 0.61 -3.15 -0.11 0.00 0.45 0.00 0.00 32.46 30.26 1qy0 n ARG 39 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1qy0 s LEU 40 N 1.90 3.49 -0.44 6.15 1.43 -1.26 -4.60 118.68 125.34 1qy0 s LEU 40 Ca 0.45 -0.04 -0.16 0.00 -1.03 0.00 0.00 54.13 53.36 1qy0 s LEU 40 Cb 0.03 -1.86 0.05 0.00 0.03 0.00 0.00 46.19 44.44 1qy0 s LEU 40 CO 0.01 0.17 0.37 -0.36 0.23 0.00 0.00 176.35 176.77 1qy0 s PHE 41 N 0.35 3.23 0.50 0.29 0.40 -0.57 -4.82 117.98 117.35 1qy0 s PHE 41 Ca -0.01 -0.72 -0.21 0.00 -0.60 0.00 0.00 56.93 55.38 1qy0 s PHE 41 Cb -0.13 -2.92 -0.07 0.00 0.51 0.00 0.00 43.02 40.41 1qy0 s PHE 41 CO 0.02 -0.71 1.14 -1.17 0.70 0.00 0.00 175.22 175.20 1qy0 s LEU 42 N 1.74 3.89 0.00 -0.37 2.96 -1.26 -1.43 118.68 124.20 1qy0 s LEU 42 Ca 0.06 2.22 0.00 0.00 -0.22 0.00 0.00 54.13 56.19 1qy0 s LEU 42 Cb -0.21 -4.41 0.00 0.00 0.50 0.00 0.00 46.19 42.07 1qy0 s LEU 42 CO 0.09 -1.04 0.00 -0.62 -1.32 0.00 0.00 176.35 173.46 1qy0 n GLU 43 N -0.87 0.00 -3.48 1.98 1.02 0.64 -3.85 120.64 116.09 1qy0 n GLU 43 Ca 0.09 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.11 1qy0 n GLU 43 Cb 0.50 -0.93 -0.03 0.00 -0.02 0.00 0.00 31.44 30.96 1qy0 n GLU 43 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1qy0 s GLN 44 N -1.87 1.05 -0.14 3.49 -2.07 -1.18 -1.87 119.66 117.07 1qy0 s GLN 44 Ca 0.00 -0.24 0.01 0.00 -1.82 0.00 0.00 55.36 53.31 1qy0 s GLN 44 Cb 0.00 0.49 0.02 0.00 -1.09 0.00 0.00 33.01 32.43 1qy0 s GLN 44 CO 0.00 -0.43 -0.16 0.42 -1.32 0.00 0.00 175.29 173.80 1qy0 s ILE 45 N -2.87 1.65 -0.34 3.63 1.01 -0.38 -1.65 121.20 122.25 1qy0 s ILE 45 Ca -0.00 -0.70 -0.10 0.00 0.00 0.00 0.00 60.65 59.84 1qy0 s ILE 45 Cb -0.01 -1.53 0.01 0.00 0.01 0.00 0.00 42.46 40.94 1qy0 s ILE 45 CO -0.06 0.47 0.18 -2.28 0.00 0.00 0.00 174.94 173.25 1qy0 s HIS 46 N 1.31 3.21 -0.15 3.97 2.46 0.25 -0.63 115.29 125.70 1qy0 s HIS 46 Ca 0.02 -0.70 -0.27 0.00 0.47 0.00 0.00 55.06 54.57 1qy0 s HIS 46 Cb -0.13 -2.40 -0.01 0.00 -0.13 0.00 0.00 32.58 29.90 1qy0 s HIS 46 CO -0.08 -0.53 0.92 0.08 -2.47 0.00 0.00 174.74 172.66 1qy0 s VAL 47 N 1.60 4.82 0.52 0.89 1.01 -1.26 -0.32 120.40 127.65 1qy0 s VAL 47 Ca 0.04 1.83 0.03 0.00 0.00 0.00 0.00 61.98 63.88 1qy0 s VAL 47 Cb -0.18 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 31.98 1qy0 s VAL 47 CO 0.07 -0.01 0.14 -0.76 0.00 0.00 0.00 175.10 174.54 1qy0 s LEU 48 N 2.25 2.47 0.16 3.92 1.43 0.11 -4.99 118.68 124.02 1qy0 s LEU 48 Ca 0.43 -1.49 -0.18 0.00 -1.03 0.00 0.00 54.13 51.85 1qy0 s LEU 48 Cb -0.17 -0.91 0.06 0.00 0.03 0.00 0.00 46.19 45.20 1qy0 s LEU 48 CO 0.13 -0.92 1.67 -0.33 0.23 0.00 0.00 176.35 177.14 1qy0 h GLU 49 N 1.16 -0.04 0.00 1.70 5.08 -2.03 -3.26 114.58 117.19 1qy0 h GLU 49 Ca -0.42 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.84 1qy0 h GLU 49 Cb 1.31 0.01 -0.22 0.00 0.50 0.00 0.00 28.75 30.34 1qy0 h GLU 49 CO 0.69 -0.03 -0.79 1.63 -1.00 0.00 0.00 179.01 179.51 1qy0 n LYS 50 N -5.30 0.55 -3.92 2.33 5.02 -1.26 -5.07 118.16 110.51 1qy0 n LYS 50 Ca 0.01 -2.36 -0.08 0.00 -2.02 0.00 0.00 58.31 53.86 1qy0 n LYS 50 Cb 0.22 -0.60 -0.04 0.00 -0.02 0.00 0.00 35.03 34.58 1qy0 n LYS 50 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1qy0 s SER 51 N -2.35 -0.17 -0.05 4.39 1.04 -1.23 -1.85 113.70 113.48 1qy0 s SER 51 Ca 0.33 -0.76 0.02 0.00 0.48 0.00 0.00 55.95 56.02 1qy0 s SER 51 Cb 0.35 0.64 0.01 0.00 0.10 0.00 0.00 66.02 67.12 1qy0 s SER 51 CO -0.12 -1.21 -0.10 -0.76 0.98 0.00 0.00 173.24 172.03 1qy0 s LEU 52 N -2.97 1.64 -0.29 2.42 1.43 0.04 -0.71 118.68 120.26 1qy0 s LEU 52 Ca 0.17 -0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 52.90 1qy0 s LEU 52 Cb -0.03 -0.69 -0.04 0.00 0.03 0.00 0.00 46.19 45.46 1qy0 s LEU 52 CO 0.07 0.04 0.25 -0.69 0.23 0.00 0.00 176.35 176.25 1qy0 s VAL 53 N 0.53 5.26 -0.26 -1.59 1.01 0.56 -0.43 120.40 125.49 1qy0 s VAL 53 Ca -0.10 0.24 -0.10 0.00 0.00 0.00 0.00 61.98 62.02 1qy0 s VAL 53 Cb -0.13 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1qy0 s VAL 53 CO 0.02 0.19 0.15 -0.76 0.00 0.00 0.00 175.10 174.70 1qy0 s LEU 54 N 1.85 3.89 -0.24 3.92 1.43 0.54 -0.58 118.68 129.50 1qy0 s LEU 54 Ca 0.09 -0.03 -0.08 0.00 -1.03 0.00 0.00 54.13 53.09 1qy0 s LEU 54 Cb -0.16 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.96 1qy0 s LEU 54 CO 0.11 -0.01 0.08 -0.54 0.23 0.00 0.00 176.35 176.22 1qy0 s LYS 55 N 1.50 3.78 0.35 1.70 1.02 -0.66 -1.11 119.74 126.31 1qy0 s LYS 55 Ca 0.07 -0.42 0.03 0.00 0.02 0.00 0.00 55.97 55.67 1qy0 s LYS 55 Cb -0.15 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.78 1qy0 s LYS 55 CO 0.07 -0.07 0.10 -0.06 -0.92 0.00 0.00 175.35 174.48 1qy0 s PHE 56 N 1.31 1.79 0.01 3.18 0.40 0.63 -0.26 117.98 125.04 1qy0 s PHE 56 Ca 0.05 -1.16 -0.02 0.00 -0.60 0.00 0.00 56.93 55.20 1qy0 s PHE 56 Cb -0.15 -1.13 -0.01 0.00 0.51 0.00 0.00 43.02 42.24 1qy0 s PHE 56 CO 0.04 -0.22 0.02 -3.38 0.70 0.00 0.00 175.22 172.38 1qy0 s HIS 57 N -3.37 0.16 0.36 0.36 -3.43 -0.52 -0.50 115.29 108.36 1qy0 s HIS 57 Ca 0.32 -0.33 0.08 0.00 -0.80 0.00 0.00 55.06 54.32 1qy0 s HIS 57 Cb 0.06 -0.12 -0.04 0.00 -1.43 0.00 0.00 32.58 31.04 1qy0 s HIS 57 CO 0.15 -0.18 0.18 0.95 -2.00 0.00 0.00 174.74 173.84 1qy0 s THR 58 N -1.17 2.87 -0.01 -5.38 -4.23 0.40 -1.52 115.64 106.60 1qy0 s THR 58 Ca -0.13 -1.65 0.05 0.00 -1.18 0.00 0.00 61.69 58.78 1qy0 s THR 58 Cb -0.08 -2.99 -0.01 0.00 1.34 0.00 0.00 72.50 70.76 1qy0 s THR 58 CO -0.00 -0.13 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.10 1qy0 s VAL 59 N -2.46 1.19 -0.16 2.29 1.01 -1.26 -1.20 120.40 119.81 1qy0 s VAL 59 Ca 0.39 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.62 1qy0 s VAL 59 Cb -0.01 -1.00 0.07 0.00 0.00 0.00 0.00 36.38 35.43 1qy0 s VAL 59 CO 0.23 0.31 0.37 0.00 0.00 0.00 0.00 175.10 176.01 1qy0 s ARG 60 N -0.42 0.31 -1.55 2.72 1.04 -0.49 -4.90 118.95 115.67 1qy0 s ARG 60 Ca 0.06 0.82 -0.11 0.00 -1.04 0.00 0.00 55.73 55.45 1qy0 s ARG 60 Cb -0.06 0.06 0.09 0.00 -2.04 0.00 0.00 34.95 32.99 1qy0 s ARG 60 CO -0.00 -0.20 0.74 -0.25 -0.04 0.00 0.00 175.30 175.54 1qy0 n ASP 61 N 4.72 -2.78 -0.97 -2.89 9.92 -1.26 0.25 116.55 123.53 1qy0 n ASP 61 Ca -0.17 -0.93 -0.13 0.00 -0.53 0.00 0.00 54.79 53.03 1qy0 n ASP 61 Cb 0.53 -3.25 -0.05 0.00 -0.64 0.00 0.00 41.12 37.70 1qy0 n ASP 61 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1qy0 n GLU 62 N -4.47 -1.09 -4.66 -1.24 1.02 -1.26 -4.99 120.64 103.95 1qy0 n GLU 62 Ca -0.06 0.92 -0.33 0.00 -0.02 0.00 0.00 57.16 57.67 1qy0 n GLU 62 Cb 0.57 -5.04 -0.16 0.00 -0.02 0.00 0.00 31.44 26.79 1qy0 n GLU 62 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1qy0 s GLU 63 N -2.98 3.18 0.18 3.49 2.12 0.14 -5.11 118.70 119.71 1qy0 s GLU 63 Ca 0.00 -0.78 -0.27 0.00 0.36 0.00 0.00 54.97 54.28 1qy0 s GLU 63 Cb 0.00 -2.55 -0.08 0.00 0.26 0.00 0.00 34.13 31.76 1qy0 s GLU 63 CO 0.00 0.05 0.83 0.00 -0.54 0.00 0.00 175.26 175.60 1qy0 s SER 65 N -1.03 2.02 0.52 0.00 0.15 -0.34 -4.95 113.70 110.07 1qy0 s SER 65 Ca 0.38 -0.26 -0.19 0.00 0.70 0.00 0.00 55.95 56.57 1qy0 s SER 65 Cb -0.24 -0.67 -0.07 0.00 -1.71 0.00 0.00 66.02 63.33 1qy0 s SER 65 CO 0.28 -0.16 1.06 -1.61 1.20 0.00 0.00 173.24 174.01 1qy0 s GLU 66 N 1.82 3.60 -0.12 5.44 0.41 -1.26 -0.45 118.70 128.13 1qy0 s GLU 66 Ca 0.04 1.39 -0.24 0.00 -0.41 0.00 0.00 54.97 55.76 1qy0 s GLU 66 Cb -0.13 -2.06 0.06 0.00 -1.78 0.00 0.00 34.13 30.22 1qy0 s GLU 66 CO -0.07 -0.61 0.58 -0.48 -0.49 0.00 0.00 175.26 174.19 1qy0 s LEU 67 N -3.75 -0.24 0.07 1.80 2.34 0.35 -4.91 118.68 114.33 1qy0 s LEU 67 Ca 0.68 0.83 0.08 0.00 0.06 0.00 0.00 54.13 55.77 1qy0 s LEU 67 Cb -0.18 2.11 -0.03 0.00 -0.56 0.00 0.00 46.19 47.53 1qy0 s LEU 67 CO 0.25 -0.40 -0.20 -0.44 -1.06 0.00 0.00 176.35 174.49 1qy0 s SER 68 N -0.54 2.46 0.02 1.48 0.01 -1.26 -0.27 113.70 115.60 1qy0 s SER 68 Ca -0.07 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.60 1qy0 s SER 68 Cb -0.03 -0.17 -0.01 0.00 0.21 0.00 0.00 66.02 66.02 1qy0 s SER 68 CO 0.05 0.11 -0.03 -0.04 0.41 0.00 0.00 173.24 173.74 1qy0 s MET 69 N -1.51 0.25 -0.21 12.44 -1.94 -0.27 -4.99 119.30 123.07 1qy0 s MET 69 Ca 0.07 -0.43 -0.04 0.00 -1.71 0.00 0.00 55.69 53.57 1qy0 s MET 69 Cb -0.09 0.01 -0.02 0.00 2.01 0.00 0.00 34.83 36.74 1qy0 s MET 69 CO 0.03 -0.02 -0.02 0.08 -0.01 0.00 0.00 175.02 175.08 1qy0 s VAL 70 N -0.96 3.66 -0.23 -6.03 1.01 -1.26 -0.34 120.40 116.24 1qy0 s VAL 70 Ca -0.10 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 1qy0 s VAL 70 Cb -0.07 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 1qy0 s VAL 70 CO -0.01 0.42 0.10 0.00 0.00 0.00 0.00 175.10 175.61 1qy0 s ALA 71 N 1.27 3.34 0.11 5.51 0.00 0.43 -4.71 121.76 127.71 1qy0 s ALA 71 Ca 0.03 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 50.92 1qy0 s ALA 71 Cb -0.14 -2.12 -0.06 0.00 0.00 0.00 0.00 23.12 20.80 1qy0 s ALA 71 CO -0.00 -0.26 0.43 -0.51 0.00 0.00 0.00 175.76 175.42 1qy0 s ASP 72 N 1.19 6.65 0.45 0.00 1.01 -0.30 -0.78 116.67 124.89 1qy0 s ASP 72 Ca 0.05 0.81 -0.25 0.00 0.71 0.00 0.00 52.55 53.88 1qy0 s ASP 72 Cb -0.14 -2.19 -0.08 0.00 1.01 0.00 0.00 42.92 41.53 1qy0 s ASP 72 CO 0.04 0.13 1.31 -0.54 0.21 0.00 0.00 175.17 176.32 1qy0 s LYS 73 N -2.06 3.73 0.00 8.23 1.02 -0.77 -0.48 119.74 129.40 1qy0 s LYS 73 Ca 0.36 2.15 0.00 0.00 0.02 0.00 0.00 55.97 58.49 1qy0 s LYS 73 Cb -0.14 -2.59 0.00 0.00 -0.52 0.00 0.00 37.83 34.59 1qy0 s LYS 73 CO 0.19 -0.69 0.00 0.25 -0.92 0.00 0.00 175.35 174.18 1qy0 n THR 74 N -0.25 0.00 0.46 2.17 -2.24 -0.47 -4.80 114.28 109.15 1qy0 n THR 74 Ca 0.06 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 1qy0 n THR 74 Cb 0.44 -0.74 0.46 0.00 -2.10 0.00 0.00 70.33 68.39 1qy0 n THR 74 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qy0 n GLU 75 N -0.60 0.18 -4.07 -0.78 1.02 -1.26 -4.63 120.64 110.50 1qy0 n GLU 75 Ca 0.00 0.36 -0.35 0.00 -0.02 0.00 0.00 57.16 57.15 1qy0 n GLU 75 Cb 0.00 -1.82 -0.09 0.00 -0.02 0.00 0.00 31.44 29.51 1qy0 n GLU 75 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1qy0 s LYS 76 N -3.25 3.67 0.41 3.49 -2.85 -1.26 -5.05 119.74 114.90 1qy0 s LYS 76 Ca 0.06 -0.32 -0.26 0.00 -1.00 0.00 0.00 55.97 54.44 1qy0 s LYS 76 Cb 0.10 -3.11 -0.09 0.00 -2.06 0.00 0.00 37.83 32.66 1qy0 s LYS 76 CO 0.41 0.45 1.42 0.00 0.10 0.00 0.00 175.35 177.74 1qy0 s ALA 77 N -0.14 3.37 0.00 0.59 0.00 -1.26 -1.86 121.76 122.45 1qy0 s ALA 77 Ca 0.07 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.49 1qy0 s ALA 77 Cb -0.12 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1qy0 s ALA 77 CO 0.01 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.12 1qy0 n GLY 78 N 0.57 2.04 3.57 0.00 0.00 -1.18 -4.44 105.19 105.75 1qy0 n GLY 78 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1qy0 n GLY 78 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qy0 s GLU 79 N -0.20 3.07 0.10 1.61 2.12 -0.78 -4.28 118.70 120.34 1qy0 s GLU 79 Ca 0.00 -0.51 0.08 0.00 0.36 0.00 0.00 54.97 54.89 1qy0 s GLU 79 Cb 0.00 -2.72 -0.03 0.00 0.26 0.00 0.00 34.13 31.63 1qy0 s GLU 79 CO 0.00 0.54 -0.20 0.71 -0.54 0.00 0.00 175.26 175.77 1qy0 s TYR 80 N -0.47 1.70 0.16 5.30 1.51 -0.15 -1.36 117.35 124.04 1qy0 s TYR 80 Ca 0.07 -0.42 0.10 0.00 -1.01 0.00 0.00 57.07 55.81 1qy0 s TYR 80 Cb -0.12 -0.93 -0.04 0.00 -0.11 0.00 0.00 41.96 40.75 1qy0 s TYR 80 CO 0.02 0.18 -0.23 -1.54 -1.11 0.00 0.00 175.55 172.88 1qy0 s SER 81 N -1.87 3.06 -0.26 2.29 1.04 0.37 0.10 113.70 118.42 1qy0 s SER 81 Ca 0.05 -0.81 -0.23 0.00 0.48 0.00 0.00 55.95 55.44 1qy0 s SER 81 Cb -0.10 -0.20 0.07 0.00 0.10 0.00 0.00 66.02 65.89 1qy0 s SER 81 CO 0.04 0.08 0.68 0.54 0.98 0.00 0.00 173.24 175.56 1qy0 s VAL 82 N -1.54 -0.00 -0.30 5.02 0.11 0.08 -1.15 120.40 122.62 1qy0 s VAL 82 Ca 0.15 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 58.99 1qy0 s VAL 82 Cb -0.08 -0.95 -0.01 0.00 -1.53 0.00 0.00 36.38 33.81 1qy0 s VAL 82 CO 0.07 0.00 0.70 -0.89 -3.33 0.00 0.00 175.10 171.65 1qy0 s THR 83 N 0.40 4.88 -0.30 5.04 2.01 -1.26 -1.42 115.64 124.99 1qy0 s THR 83 Ca -0.00 1.04 -0.11 0.00 0.31 0.00 0.00 61.69 62.93 1qy0 s THR 83 Cb -0.05 -4.06 0.16 0.00 0.01 0.00 0.00 72.50 68.57 1qy0 s THR 83 CO 0.00 -0.17 0.84 -0.47 -0.69 0.00 0.00 174.62 174.14 1qy0 s TYR 84 N 2.75 -1.00 -1.47 4.92 5.04 -1.26 -4.93 117.35 121.39 1qy0 s TYR 84 Ca 0.28 1.45 -0.03 0.00 -2.44 0.00 0.00 57.07 56.34 1qy0 s TYR 84 Cb -0.15 0.50 0.02 0.00 0.35 0.00 0.00 41.96 42.68 1qy0 s TYR 84 CO 0.12 -0.52 0.43 -3.47 -1.34 0.00 0.00 175.55 170.77 1qy0 n ASP 85 N 5.27 -0.65 0.00 4.32 2.03 -1.26 -4.52 116.55 121.74 1qy0 n ASP 85 Ca -0.08 -1.04 0.00 0.00 0.52 0.00 0.00 54.79 54.20 1qy0 n ASP 85 Cb 0.52 -2.86 0.00 0.00 -0.72 0.00 0.00 41.12 38.06 1qy0 n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qy0 n GLY 86 N -1.96 -0.24 3.50 0.27 0.00 -1.26 -4.75 105.19 100.75 1qy0 n GLY 86 Ca -0.25 -2.23 -0.35 0.00 0.00 0.00 0.00 46.02 43.19 1qy0 n GLY 86 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1qy0 s PHE 87 N 0.00 3.11 0.03 1.61 5.36 -0.03 -4.47 117.98 123.58 1qy0 s PHE 87 Ca 0.00 -0.28 0.09 0.00 -0.96 0.00 0.00 56.93 55.78 1qy0 s PHE 87 Cb 0.00 -2.12 -0.03 0.00 -0.34 0.00 0.00 43.02 40.54 1qy0 s PHE 87 CO 0.00 -0.15 -0.26 -0.80 -1.46 0.00 0.00 175.22 172.56 1qy0 s ASN 88 N 0.95 3.21 0.09 6.13 0.01 -0.51 -0.53 114.94 124.30 1qy0 s ASN 88 Ca 0.03 -0.55 0.07 0.00 -0.71 0.00 0.00 52.86 51.69 1qy0 s ASN 88 Cb -0.14 -0.33 -0.03 0.00 0.41 0.00 0.00 41.25 41.16 1qy0 s ASN 88 CO 0.02 0.27 -0.17 0.42 -1.51 0.00 0.00 177.10 176.14 1qy0 s THR 89 N -0.78 1.40 0.14 1.60 -4.23 -0.71 -0.74 115.64 112.32 1qy0 s THR 89 Ca 0.12 -1.48 -0.15 0.00 -1.18 0.00 0.00 61.69 59.00 1qy0 s THR 89 Cb -0.10 -1.35 0.03 0.00 1.34 0.00 0.00 72.50 72.41 1qy0 s THR 89 CO 0.02 -0.20 0.38 0.72 -0.54 0.00 0.00 174.62 175.00 1qy0 s PHE 90 N -1.40 -0.09 0.27 3.99 -0.71 0.12 -0.92 117.98 119.23 1qy0 s PHE 90 Ca 0.03 -0.25 0.02 0.00 -1.04 0.00 0.00 56.93 55.70 1qy0 s PHE 90 Cb -0.09 0.21 -0.04 0.00 -1.21 0.00 0.00 43.02 41.89 1qy0 s PHE 90 CO 0.03 -0.72 0.14 0.95 -1.34 0.00 0.00 175.22 174.29 1qy0 s THR 91 N -3.84 0.31 -0.48 -4.49 -4.23 -0.49 -0.97 115.64 101.45 1qy0 s THR 91 Ca 0.05 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.60 1qy0 s THR 91 Cb 0.02 -2.54 0.13 0.00 1.34 0.00 0.00 72.50 71.44 1qy0 s THR 91 CO -0.09 0.00 0.23 -0.63 -0.54 0.00 0.00 174.62 173.59 1qy0 s ILE 92 N -3.75 2.30 0.52 2.99 1.01 -1.26 -1.10 121.20 121.91 1qy0 s ILE 92 Ca 0.37 -3.05 0.20 0.00 0.00 0.00 0.00 60.65 58.17 1qy0 s ILE 92 Cb 0.06 -2.61 0.28 0.00 0.01 0.00 0.00 42.46 40.20 1qy0 s ILE 92 CO 0.16 -0.80 2.15 -0.65 0.00 0.00 0.00 174.94 175.80 1qy0 h PRO 93 N 6.67 0.00 -2.34 2.79 0.11 -1.87 0.20 132.00 137.56 1qy0 h PRO 93 Ca -0.06 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.99 1qy0 h PRO 93 Cb 0.91 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 31.78 1qy0 h PRO 93 CO 0.63 0.04 -0.14 0.21 -0.21 0.00 0.00 178.00 178.53 1qy0 s LYS 94 N -4.81 0.55 0.02 1.05 2.47 -1.22 -4.32 119.74 113.47 1qy0 s LYS 94 Ca -0.05 0.99 -0.13 0.00 -1.56 0.00 0.00 55.97 55.22 1qy0 s LYS 94 Cb 0.16 0.07 0.02 0.00 -1.46 0.00 0.00 37.83 36.61 1qy0 s LYS 94 CO 0.63 -0.15 0.28 -0.08 0.16 0.00 0.00 175.35 176.19 1qy0 s THR 95 N 1.46 0.08 -0.56 3.43 -1.32 -0.34 -0.64 115.64 117.73 1qy0 s THR 95 Ca -0.09 -0.63 0.06 0.00 -1.21 0.00 0.00 61.69 59.82 1qy0 s THR 95 Cb -0.07 -0.76 0.17 0.00 -1.51 0.00 0.00 72.50 70.33 1qy0 s THR 95 CO -0.15 -0.35 1.11 -0.90 -2.21 0.00 0.00 174.62 172.12 1qy0 n ASP 96 N 0.95 2.46 0.00 8.08 5.75 -0.98 -1.39 116.55 131.42 1qy0 n ASP 96 Ca -0.20 -1.94 0.00 0.00 -0.01 0.00 0.00 54.79 52.64 1qy0 n ASP 96 Cb 0.58 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 1qy0 n ASP 96 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1qy0 n TYR 97 N 0.12 0.00 0.13 2.11 4.01 -1.24 -4.42 117.16 117.86 1qy0 n TYR 97 Ca 0.07 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.92 1qy0 n TYR 97 Cb 0.34 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.41 1qy0 n TYR 97 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1qy0 h ASP 98 N 0.00 0.00 0.00 7.72 3.32 -1.93 -3.44 116.42 122.09 1qy0 h ASP 98 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qy0 h ASP 98 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1qy0 h ASP 98 CO 0.00 0.00 -0.38 0.59 -1.72 0.00 0.00 179.24 177.73 1qy0 n ASN 99 N -2.77 0.36 -4.28 6.45 3.02 -1.26 -4.73 115.26 112.05 1qy0 n ASN 99 Ca 0.01 0.12 -0.15 0.00 -0.03 0.00 0.00 54.58 54.52 1qy0 n ASN 99 Cb 0.55 -0.06 -0.10 0.00 -0.61 0.00 0.00 39.78 39.55 1qy0 n ASN 99 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1qy0 s PHE 100 N -2.00 1.37 -0.07 3.10 -0.12 -1.26 -0.92 117.98 118.08 1qy0 s PHE 100 Ca 0.00 -0.83 -0.03 0.00 -0.05 0.00 0.00 56.93 56.02 1qy0 s PHE 100 Cb 0.00 -0.74 0.04 0.00 -0.63 0.00 0.00 43.02 41.69 1qy0 s PHE 100 CO 0.00 0.02 0.14 -1.17 -0.05 0.00 0.00 175.22 174.16 1qy0 s LEU 101 N -3.22 0.27 -0.19 -1.99 0.20 0.02 -2.32 118.68 111.45 1qy0 s LEU 101 Ca 0.21 0.28 -0.03 0.00 0.69 0.00 0.00 54.13 55.28 1qy0 s LEU 101 Cb 0.04 0.24 -0.01 0.00 -0.43 0.00 0.00 46.19 46.02 1qy0 s LEU 101 CO 0.04 -0.21 -0.05 -0.04 -0.29 0.00 0.00 176.35 175.80 1qy0 s MET 102 N 1.86 3.45 0.11 1.98 -1.94 0.18 -0.50 119.30 124.43 1qy0 s MET 102 Ca -0.01 -0.61 0.08 0.00 -1.71 0.00 0.00 55.69 53.44 1qy0 s MET 102 Cb -0.12 -2.94 -0.04 0.00 2.01 0.00 0.00 34.83 33.74 1qy0 s MET 102 CO -0.05 -0.04 -0.16 0.00 -0.01 0.00 0.00 175.02 174.76 1qy0 s ALA 103 N 1.07 2.76 -0.10 3.03 0.00 -0.52 -2.90 121.76 125.10 1qy0 s ALA 103 Ca 0.01 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.65 1qy0 s ALA 103 Cb -0.15 -0.72 0.02 0.00 0.00 0.00 0.00 23.12 22.27 1qy0 s ALA 103 CO -0.00 0.61 -0.08 -1.58 0.00 0.00 0.00 175.76 174.70 1qy0 s HIS 104 N -1.16 1.46 0.10 0.00 5.65 -0.25 -1.52 115.29 119.56 1qy0 s HIS 104 Ca 0.19 -0.69 0.09 0.00 0.25 0.00 0.00 55.06 54.90 1qy0 s HIS 104 Cb -0.11 -1.19 -0.03 0.00 -1.18 0.00 0.00 32.58 30.07 1qy0 s HIS 104 CO 0.11 -0.46 -0.23 -1.17 -0.65 0.00 0.00 174.74 172.34 1qy0 s LEU 105 N 1.50 2.28 -0.13 8.88 0.20 0.13 -1.40 118.68 130.14 1qy0 s LEU 105 Ca 0.01 -0.68 0.03 0.00 0.69 0.00 0.00 54.13 54.18 1qy0 s LEU 105 Cb -0.13 -1.00 0.01 0.00 -0.43 0.00 0.00 46.19 44.63 1qy0 s LEU 105 CO -0.06 0.11 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.27 1qy0 s ILE 106 N -1.07 2.01 -0.05 6.68 -1.09 -0.10 -0.82 121.20 126.76 1qy0 s ILE 106 Ca 0.09 -0.96 -0.00 0.00 -2.23 0.00 0.00 60.65 57.55 1qy0 s ILE 106 Cb -0.10 -1.78 -0.03 0.00 -1.58 0.00 0.00 42.46 38.97 1qy0 s ILE 106 CO 0.04 0.54 -0.01 0.21 -1.23 0.00 0.00 174.94 174.50 1qy0 s ASN 107 N 0.78 5.10 -0.08 3.58 3.84 -0.48 -1.73 114.94 125.94 1qy0 s ASN 107 Ca -0.08 0.05 0.01 0.00 0.21 0.00 0.00 52.86 53.05 1qy0 s ASN 107 Cb -0.16 -1.37 0.02 0.00 -0.55 0.00 0.00 41.25 39.20 1qy0 s ASN 107 CO -0.01 0.33 -0.08 -1.61 -2.79 0.00 0.00 177.10 172.95 1qy0 s GLU 108 N -1.16 1.34 -0.14 0.43 2.02 0.31 -1.95 118.70 119.55 1qy0 s GLU 108 Ca 0.16 -0.24 -0.13 0.00 0.02 0.00 0.00 54.97 54.79 1qy0 s GLU 108 Cb -0.11 -1.31 0.04 0.00 0.10 0.00 0.00 34.13 32.85 1qy0 s GLU 108 CO 0.06 -0.14 0.38 -1.59 0.02 0.00 0.00 175.26 173.99 1qy0 s LYS 109 N 1.23 0.43 -1.60 1.61 0.00 -1.03 -0.85 119.74 119.53 1qy0 s LYS 109 Ca -0.05 0.55 -0.16 0.00 0.00 0.00 0.00 55.97 56.31 1qy0 s LYS 109 Cb -0.14 0.19 0.13 0.00 0.00 0.00 0.00 37.83 38.01 1qy0 s LYS 109 CO -0.02 -0.06 0.80 -0.25 0.00 0.00 0.00 175.35 175.81 1qy0 n ASP 110 N 3.03 -3.78 0.00 0.03 10.43 -1.26 -1.21 116.55 123.80 1qy0 n ASP 110 Ca -0.14 -0.86 0.00 0.00 2.57 0.00 0.00 54.79 56.36 1qy0 n ASP 110 Cb 0.57 -3.07 0.00 0.00 1.84 0.00 0.00 41.12 40.46 1qy0 n ASP 110 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1qy0 n GLY 111 N -1.43 0.83 2.99 0.44 0.00 -1.26 -5.02 105.19 101.74 1qy0 n GLY 111 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 1qy0 n GLY 111 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qy0 n GLU 112 N -2.08 0.82 -3.59 1.61 1.02 -0.35 -5.15 120.64 112.92 1qy0 n GLU 112 Ca 0.00 -2.64 -0.11 0.00 -0.02 0.00 0.00 57.16 54.39 1qy0 n GLU 112 Cb 0.01 0.20 -0.04 0.00 -0.02 0.00 0.00 31.44 31.59 1qy0 n GLU 112 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1qy0 s THR 113 N -2.07 0.04 0.14 2.62 -1.32 -1.26 -2.48 115.64 111.32 1qy0 s THR 113 Ca 0.29 -0.44 -0.24 0.00 -1.21 0.00 0.00 61.69 60.09 1qy0 s THR 113 Cb -0.02 -1.18 0.07 0.00 -1.51 0.00 0.00 72.50 69.86 1qy0 s THR 113 CO 0.18 -0.20 0.62 0.72 -2.21 0.00 0.00 174.62 173.73 1qy0 s PHE 114 N -3.80 -0.54 -0.13 9.09 -0.12 -0.82 -5.00 117.98 116.66 1qy0 s PHE 114 Ca 0.03 0.37 -0.07 0.00 -0.05 0.00 0.00 56.93 57.21 1qy0 s PHE 114 Cb 0.01 0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 42.91 1qy0 s PHE 114 CO -0.11 -0.82 0.13 -0.65 -0.05 0.00 0.00 175.22 173.72 1qy0 s GLN 115 N -3.57 3.54 -0.05 1.99 -0.21 -1.26 -1.38 119.66 118.73 1qy0 s GLN 115 Ca 0.00 -0.15 0.04 0.00 0.02 0.00 0.00 55.36 55.27 1qy0 s GLN 115 Cb -0.01 -3.21 -0.00 0.00 1.00 0.00 0.00 33.01 30.79 1qy0 s GLN 115 CO -0.11 0.70 -0.17 -1.17 -2.12 0.00 0.00 175.29 172.42 1qy0 s LEU 116 N -0.81 1.89 -0.01 2.90 1.98 -0.00 -2.33 118.68 122.30 1qy0 s LEU 116 Ca 0.14 -0.35 0.07 0.00 -2.89 0.00 0.00 54.13 51.09 1qy0 s LEU 116 Cb -0.12 -0.96 -0.02 0.00 0.66 0.00 0.00 46.19 45.75 1qy0 s LEU 116 CO 0.03 0.14 -0.21 -0.04 -1.89 0.00 0.00 176.35 174.38 1qy0 s MET 117 N 0.12 1.68 0.01 1.98 -1.94 0.59 0.21 119.30 121.96 1qy0 s MET 117 Ca -0.06 -0.79 0.04 0.00 -1.71 0.00 0.00 55.69 53.17 1qy0 s MET 117 Cb -0.12 -1.65 -0.01 0.00 2.01 0.00 0.00 34.83 35.05 1qy0 s MET 117 CO 0.03 0.45 -0.11 0.20 -0.01 0.00 0.00 175.02 175.57 1qy0 s GLY 118 N -0.61 0.60 -0.22 -0.03 0.00 -0.58 -0.12 107.32 106.37 1qy0 s GLY 118 Ca 0.08 -0.61 -0.02 0.00 0.00 0.00 0.00 44.72 44.18 1qy0 s GLY 118 CO -0.00 -0.56 -0.09 -2.27 0.00 0.00 0.00 173.10 170.17 1qy0 s LEU 119 N -0.71 2.76 0.05 0.66 2.96 0.41 -1.44 118.68 123.36 1qy0 s LEU 119 Ca 0.01 -0.59 0.07 0.00 -0.22 0.00 0.00 54.13 53.41 1qy0 s LEU 119 Cb -0.06 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 1qy0 s LEU 119 CO 0.00 -0.04 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.49 1qy0 s TYR 120 N 1.39 2.53 0.14 5.38 2.02 0.34 -0.51 117.35 128.63 1qy0 s TYR 120 Ca 0.04 -0.27 0.07 0.00 -0.37 0.00 0.00 57.07 56.53 1qy0 s TYR 120 Cb -0.14 -1.45 -0.04 0.00 -0.40 0.00 0.00 41.96 39.93 1qy0 s TYR 120 CO -0.06 0.25 -0.16 0.20 -1.57 0.00 0.00 175.55 174.21 1qy0 s GLY 121 N -1.45 1.20 0.29 0.71 0.00 -0.03 -0.80 107.32 107.23 1qy0 s GLY 121 Ca 0.14 -1.37 0.02 0.00 0.00 0.00 0.00 44.72 43.51 1qy0 s GLY 121 CO 0.05 -1.43 1.76 3.21 0.00 0.00 0.00 173.10 176.70 1qy0 h ARG 122 N 3.40 0.58 -6.44 2.90 2.47 -1.28 0.24 114.38 116.25 1qy0 h ARG 122 Ca -0.41 -0.18 -0.43 0.00 -1.26 0.00 0.00 59.98 57.70 1qy0 h ARG 122 Cb 1.20 -0.05 0.02 0.00 -1.65 0.00 0.00 29.97 29.48 1qy0 h ARG 122 CO 0.51 0.70 -0.25 -1.21 0.56 0.00 0.00 179.97 180.27 1qy0 s GLU 123 N -4.73 2.75 0.00 0.04 2.02 -1.26 -4.66 118.70 112.87 1qy0 s GLU 123 Ca -0.08 -1.30 0.14 0.00 0.02 0.00 0.00 54.97 53.75 1qy0 s GLU 123 Cb 0.14 -2.72 0.84 0.00 0.10 0.00 0.00 34.13 32.49 1qy0 s GLU 123 CO 0.79 -0.33 1.26 -2.30 0.02 0.00 0.00 175.26 174.71 1qy0 n PRO 124 N -1.87 0.44 -4.01 0.39 -0.02 -1.26 -4.55 135.00 124.12 1qy0 n PRO 124 Ca 0.08 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.46 1qy0 n PRO 124 Cb 0.59 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.53 1qy0 n PRO 124 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1qy0 s ASP 125 N -2.00 0.08 0.20 2.55 -1.08 -1.26 -4.78 116.67 110.39 1qy0 s ASP 125 Ca 0.21 -1.05 0.02 0.00 -0.52 0.00 0.00 52.55 51.21 1qy0 s ASP 125 Cb 0.10 0.61 -0.05 0.00 -1.46 0.00 0.00 42.92 42.11 1qy0 s ASP 125 CO 0.16 -1.19 0.03 -0.76 0.52 0.00 0.00 175.17 173.94 1qy0 s LEU 126 N -3.06 1.95 0.75 -1.34 1.43 -1.26 -4.83 118.68 112.31 1qy0 s LEU 126 Ca 0.24 -1.25 -0.11 0.00 -1.03 0.00 0.00 54.13 51.98 1qy0 s LEU 126 Cb -0.01 -0.04 0.05 0.00 0.03 0.00 0.00 46.19 46.22 1qy0 s LEU 126 CO 0.11 -0.62 1.10 -0.94 0.23 0.00 0.00 176.35 176.22 1qy0 s SER 127 N -3.23 4.60 0.39 2.29 1.04 -1.26 -4.87 113.70 112.67 1qy0 s SER 127 Ca 0.29 1.86 0.09 0.00 0.48 0.00 0.00 55.95 58.67 1qy0 s SER 127 Cb 0.07 -2.53 0.80 0.00 0.10 0.00 0.00 66.02 64.46 1qy0 s SER 127 CO 0.08 -1.97 1.94 0.77 0.98 0.00 0.00 173.24 175.03 1qy0 h SER 128 N -0.92 0.25 -0.47 7.02 4.64 -2.01 -1.90 113.55 120.17 1qy0 h SER 128 Ca -0.44 -0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 60.79 1qy0 h SER 128 Cb 1.23 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 1qy0 h SER 128 CO 0.52 0.37 0.11 0.44 -0.87 0.00 0.00 176.83 177.40 1qy0 h ASP 129 N 0.26 0.72 -0.65 4.97 3.32 -2.00 -0.70 116.42 122.35 1qy0 h ASP 129 Ca 0.06 -0.24 -0.09 0.00 0.02 0.00 0.00 57.03 56.78 1qy0 h ASP 129 Cb 0.31 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1qy0 h ASP 129 CO 0.01 0.77 0.06 0.40 -1.72 0.00 0.00 179.24 178.77 1qy0 h ILE 130 N 0.64 1.27 -0.66 0.35 1.08 -1.81 -1.51 117.51 116.86 1qy0 h ILE 130 Ca 0.15 -1.10 -0.02 0.00 -0.39 0.00 0.00 64.86 63.50 1qy0 h ILE 130 Cb 0.34 0.69 -0.03 0.00 -3.07 0.00 0.00 36.82 34.75 1qy0 h ILE 130 CO 0.00 0.41 0.31 0.11 -0.69 0.00 0.00 178.15 178.29 1qy0 h LYS 131 N 1.03 0.93 -0.39 2.37 1.57 -1.05 -1.21 116.57 119.81 1qy0 h LYS 131 Ca 0.19 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.73 1qy0 h LYS 131 Cb 0.50 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1qy0 h LYS 131 CO 0.02 0.72 -0.23 1.49 -0.57 0.00 0.00 179.45 180.88 1qy0 h GLU 132 N 0.93 0.85 -0.96 3.15 4.57 -0.90 -1.49 114.58 120.73 1qy0 h GLU 132 Ca 0.23 -0.39 0.08 0.00 -1.18 0.00 0.00 59.36 58.10 1qy0 h GLU 132 Cb 0.10 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.61 1qy0 h GLU 132 CO -0.03 1.03 0.62 0.00 -1.18 0.00 0.00 179.01 179.45 1qy0 h ARG 133 N 0.66 1.03 -0.37 1.92 3.08 -0.81 0.13 114.38 120.01 1qy0 h ARG 133 Ca 0.08 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1qy0 h ARG 133 Cb 0.80 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1qy0 h ARG 133 CO 0.07 0.68 0.07 0.35 -1.07 0.00 0.00 179.97 180.06 1qy0 h PHE 134 N 1.06 0.65 -0.86 3.04 3.57 -0.94 -1.27 116.94 122.19 1qy0 h PHE 134 Ca 0.42 -0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.87 1qy0 h PHE 134 Cb 0.26 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.77 1qy0 h PHE 134 CO -0.00 0.65 0.56 0.00 -2.23 0.00 0.00 178.31 177.30 1qy0 h ALA 135 N 0.92 1.46 -0.43 2.41 0.00 -0.40 0.03 119.26 123.25 1qy0 h ALA 135 Ca 0.11 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1qy0 h ALA 135 Cb 0.35 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1qy0 h ALA 135 CO 0.01 0.45 -0.04 1.96 0.00 0.00 0.00 179.25 181.63 1qy0 h GLN 136 N 1.07 0.73 -0.18 0.00 1.08 -0.62 -1.27 115.11 115.93 1qy0 h GLN 136 Ca 0.34 -0.21 -0.16 0.00 -1.45 0.00 0.00 58.65 57.17 1qy0 h GLN 136 Cb 0.02 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 1qy0 h GLN 136 CO -0.10 0.77 -0.55 1.25 -0.95 0.00 0.00 178.83 179.25 1qy0 h LEU 137 N 0.68 0.62 -0.77 1.46 5.85 -0.27 -2.23 115.31 120.64 1qy0 h LEU 137 Ca 0.13 -0.33 -0.07 0.00 0.84 0.00 0.00 57.88 58.45 1qy0 h LEU 137 Cb 0.48 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1qy0 h LEU 137 CO 0.02 1.04 0.16 0.00 -0.34 0.00 0.00 178.44 179.33 1qy0 h GLU 139 N 1.03 0.80 0.00 0.00 4.81 -0.93 -0.01 114.58 120.29 1qy0 h GLU 139 Ca 0.21 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1qy0 h GLU 139 Cb 0.37 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1qy0 h GLU 139 CO 0.00 0.54 0.00 0.93 -0.73 0.00 0.00 179.01 179.75 1qy0 h GLU 140 N 0.83 0.00 -0.42 1.92 5.08 -0.98 -1.86 114.58 119.15 1qy0 h GLU 140 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1qy0 h GLU 140 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1qy0 h GLU 140 CO -0.05 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.68 1qy0 n HIS 141 N -2.57 0.84 -1.83 4.33 8.25 -0.16 -4.96 115.22 119.11 1qy0 n HIS 141 Ca 0.02 -0.62 -0.05 0.00 -0.26 0.00 0.00 57.72 56.81 1qy0 n HIS 141 Cb 0.26 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 1qy0 n HIS 141 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qy0 n GLY 142 N 0.48 0.33 3.33 -1.41 0.00 -0.70 -5.02 105.19 102.21 1qy0 n GLY 142 Ca 0.18 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 1qy0 n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qy0 s ILE 143 N -2.24 3.66 0.56 -0.61 1.01 -0.35 -4.97 121.20 118.28 1qy0 s ILE 143 Ca 0.00 -0.61 -0.20 0.00 0.00 0.00 0.00 60.65 59.84 1qy0 s ILE 143 Cb 0.00 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 1qy0 s ILE 143 CO 0.00 0.24 1.22 -0.76 0.00 0.00 0.00 174.94 175.64 1qy0 s LEU 144 N 1.48 3.75 0.52 2.97 1.43 -1.26 -3.56 118.68 124.01 1qy0 s LEU 144 Ca 0.04 2.43 0.17 0.00 -1.03 0.00 0.00 54.13 55.74 1qy0 s LEU 144 Cb -0.16 -4.49 1.29 0.00 0.03 0.00 0.00 46.19 42.86 1qy0 s LEU 144 CO -0.00 -1.48 2.14 0.03 0.23 0.00 0.00 176.35 177.27 1qy0 h ARG 145 N 1.16 0.00 0.00 1.70 3.08 -1.95 0.11 114.38 118.48 1qy0 h ARG 145 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1qy0 h ARG 145 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1qy0 h ARG 145 CO 0.56 0.00 0.00 -0.85 -1.07 0.00 0.00 179.97 178.61 1qy0 n GLU 146 N -4.51 0.07 -0.43 0.04 0.28 -1.26 -0.61 120.64 114.21 1qy0 n GLU 146 Ca -0.02 0.43 0.09 0.00 -0.16 0.00 0.00 57.16 57.50 1qy0 n GLU 146 Cb 0.14 -1.66 0.29 0.00 1.43 0.00 0.00 31.44 31.64 1qy0 n GLU 146 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1qy0 n ASN 147 N -1.79 4.03 -4.54 -1.84 5.03 0.36 -4.90 115.26 111.61 1qy0 n ASN 147 Ca 0.01 -2.30 -0.35 0.00 0.87 0.00 0.00 54.58 52.82 1qy0 n ASN 147 Cb 0.11 -0.47 -0.11 0.00 -1.02 0.00 0.00 39.78 38.29 1qy0 n ASN 147 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1qy0 s ILE 148 N -1.55 4.47 -0.18 2.41 1.01 0.22 -2.23 121.20 125.35 1qy0 s ILE 148 Ca 0.43 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.95 1qy0 s ILE 148 Cb 0.26 -3.04 0.02 0.00 0.01 0.00 0.00 42.46 39.72 1qy0 s ILE 148 CO 0.23 0.42 -0.19 -0.63 0.00 0.00 0.00 174.94 174.77 1qy0 s ILE 149 N 0.85 2.02 -0.19 2.92 1.01 0.95 -4.98 121.20 123.78 1qy0 s ILE 149 Ca 0.03 -0.96 -0.27 0.00 0.00 0.00 0.00 60.65 59.45 1qy0 s ILE 149 Cb -0.14 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.47 1qy0 s ILE 149 CO 0.02 0.49 0.91 -0.62 0.00 0.00 0.00 174.94 175.74 1qy0 s ASP 150 N 1.29 7.01 -0.13 3.58 -1.08 -1.26 -1.39 116.67 124.70 1qy0 s ASP 150 Ca 0.04 1.25 0.15 0.00 -0.52 0.00 0.00 52.55 53.48 1qy0 s ASP 150 Cb -0.13 -2.49 0.44 0.00 -1.46 0.00 0.00 42.92 39.27 1qy0 s ASP 150 CO -0.12 -0.49 1.34 0.18 0.52 0.00 0.00 175.17 176.60 1qy0 n LEU 151 N 5.59 3.44 0.29 -1.34 4.77 0.82 -4.67 117.00 125.89 1qy0 n LEU 151 Ca 0.07 -2.78 0.18 0.00 -0.03 0.00 0.00 56.01 53.45 1qy0 n LEU 151 Cb 0.48 -0.45 0.81 0.00 -2.33 0.00 0.00 43.42 41.94 1qy0 n LEU 151 CO 0.50 0.68 1.03 0.77 -1.33 0.00 0.00 177.39 179.04 1qy0 h SER 152 N 1.56 0.00 -0.78 -1.43 4.64 -1.72 -0.83 113.55 114.99 1qy0 h SER 152 Ca 0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 1qy0 h SER 152 Cb 1.21 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.11 1qy0 h SER 152 CO 0.14 0.02 0.37 0.59 -0.87 0.00 0.00 176.83 177.09 1qy0 n ASN 153 N -3.16 4.08 -0.40 4.97 3.02 -1.26 -4.28 115.26 118.22 1qy0 n ASN 153 Ca -0.01 -3.44 0.00 0.00 -0.03 0.00 0.00 54.58 51.10 1qy0 n ASN 153 Cb 0.25 -0.76 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 1qy0 n ASN 153 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qy0 n ALA 154 N -0.69 1.80 0.56 5.41 0.00 -0.37 -4.96 120.51 122.27 1qy0 n ALA 154 Ca 0.47 -0.21 0.11 0.00 0.00 0.00 0.00 53.44 53.81 1qy0 n ALA 154 Cb 1.44 -0.09 0.26 0.00 0.00 0.00 0.00 19.45 21.06 1qy0 n ALA 154 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1qy0 n ASN 155 N 0.00 2.90 -4.59 0.00 2.04 -0.88 -4.93 115.26 109.80 1qy0 n ASN 155 Ca 0.00 -1.92 -0.33 0.00 -0.44 0.00 0.00 54.58 51.89 1qy0 n ASN 155 Cb 0.54 -0.22 -0.11 0.00 -2.53 0.00 0.00 39.78 37.45 1qy0 n ASN 155 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1qy0 s ARG 156 N -1.55 2.66 0.00 -3.83 0.52 -1.26 -4.95 118.95 110.53 1qy0 s ARG 156 Ca 0.37 -0.63 0.31 0.00 -0.52 0.00 0.00 55.73 55.26 1qy0 s ARG 156 Cb 0.21 -2.55 1.80 0.00 0.52 0.00 0.00 34.95 34.93 1qy0 s ARG 156 CO 0.29 0.64 2.17 0.00 0.02 0.00 0.00 175.30 178.42