#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqb s LYS 2 N 0.00 3.90 0.11 2.12 -0.14 -1.23 -5.04 119.74 119.46 2aqb s LYS 2 Ca 0.00 0.72 -0.12 0.00 -1.36 0.00 0.00 55.97 55.22 2aqb s LYS 2 Cb 0.00 -2.28 -0.06 0.00 -1.68 0.00 0.00 37.83 33.80 2aqb s LYS 2 CO 0.00 -0.10 0.46 1.03 -0.76 0.00 0.00 175.35 175.98 2aqb s ARG 3 N -3.79 3.85 -0.06 1.68 0.52 -1.26 -4.31 118.95 115.57 2aqb s ARG 3 Ca 0.55 0.30 0.05 0.00 -0.52 0.00 0.00 55.73 56.11 2aqb s ARG 3 Cb -0.10 -2.96 -0.02 0.00 0.52 0.00 0.00 34.95 32.39 2aqb s ARG 3 CO 0.28 0.52 -0.21 0.00 0.02 0.00 0.00 175.30 175.92 2aqb s ALA 4 N -1.43 2.34 0.17 2.13 0.00 -1.26 -1.54 121.76 122.16 2aqb s ALA 4 Ca 0.35 -1.02 0.07 0.00 0.00 0.00 0.00 51.96 51.36 2aqb s ALA 4 Cb -0.14 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 2aqb s ALA 4 CO 0.19 0.44 -0.15 0.14 0.00 0.00 0.00 175.76 176.38 2aqb s VAL 5 N -0.27 1.60 -0.30 0.00 -7.23 -0.08 -1.20 120.40 112.93 2aqb s VAL 5 Ca 0.00 -2.02 -0.12 0.00 -1.81 0.00 0.00 61.98 58.03 2aqb s VAL 5 Cb -0.13 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.91 2aqb s VAL 5 CO 0.03 -0.51 0.23 -0.63 -0.31 0.00 0.00 175.10 173.91 2aqb s ILE 6 N -2.63 5.28 -0.75 -0.62 -1.09 0.12 -1.09 121.20 120.43 2aqb s ILE 6 Ca 0.17 0.10 0.07 0.00 -2.23 0.00 0.00 60.65 58.77 2aqb s ILE 6 Cb -0.02 -3.61 0.13 0.00 -1.58 0.00 0.00 42.46 37.38 2aqb s ILE 6 CO 0.05 0.15 0.96 0.35 -1.23 0.00 0.00 174.94 175.22 2aqb n THR 7 N 5.09 0.52 -3.59 2.92 -2.24 -0.79 -1.28 114.28 114.91 2aqb n THR 7 Ca -0.13 -0.76 -0.05 0.00 -2.27 0.00 0.00 64.05 60.84 2aqb n THR 7 Cb 0.51 0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 69.53 2aqb n THR 7 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2aqb s GLY 8 N -0.81 -0.27 0.06 3.38 0.00 -1.26 -3.87 107.32 104.55 2aqb s GLY 8 Ca 0.12 1.71 -0.17 0.00 0.00 0.00 0.00 44.72 46.38 2aqb s GLY 8 CO 0.10 0.63 0.39 0.48 0.00 0.00 0.00 173.10 174.69 2aqb s LEU 9 N -1.97 0.49 -0.05 0.66 0.05 -1.26 -1.76 118.68 114.84 2aqb s LEU 9 Ca 0.08 -0.10 -0.13 0.00 0.05 0.00 0.00 54.13 54.02 2aqb s LEU 9 Cb -0.01 1.69 0.03 0.00 -2.05 0.00 0.00 46.19 45.85 2aqb s LEU 9 CO -0.05 -0.69 0.31 -0.83 -0.55 0.00 0.00 176.35 174.54 2aqb s GLY 10 N -2.18 -0.18 -0.21 -3.48 0.00 -0.11 -3.45 107.32 97.71 2aqb s GLY 10 Ca -0.03 0.53 -0.14 0.00 0.00 0.00 0.00 44.72 45.07 2aqb s GLY 10 CO -0.04 0.35 0.54 -1.50 0.00 0.00 0.00 173.10 172.44 2aqb s ILE 11 N -0.80 -0.01 -0.24 0.90 2.07 -1.26 -1.25 121.20 120.61 2aqb s ILE 11 Ca -0.09 0.04 0.02 0.00 -1.41 0.00 0.00 60.65 59.20 2aqb s ILE 11 Cb -0.04 -0.78 0.06 0.00 0.13 0.00 0.00 42.46 41.83 2aqb s ILE 11 CO 0.03 0.02 -0.09 -0.69 -1.91 0.00 0.00 174.94 172.29 2aqb s VAL 12 N 1.14 1.82 0.29 4.00 1.01 -0.73 -2.78 120.40 125.15 2aqb s VAL 12 Ca -0.07 -1.34 0.03 0.00 0.00 0.00 0.00 61.98 60.61 2aqb s VAL 12 Cb -0.06 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 2aqb s VAL 12 CO -0.11 -0.00 0.26 -0.94 0.00 0.00 0.00 175.10 174.30 2aqb s SER 13 N 1.28 1.10 0.53 3.32 1.04 0.12 -0.85 113.70 120.23 2aqb s SER 13 Ca -0.06 -1.60 0.26 0.00 0.48 0.00 0.00 55.95 55.03 2aqb s SER 13 Cb -0.19 0.51 1.47 0.00 0.10 0.00 0.00 66.02 67.92 2aqb s SER 13 CO -0.06 -1.02 2.10 0.77 0.98 0.00 0.00 173.24 176.01 2aqb h SER 14 N 2.28 0.00 -0.32 7.02 4.64 -1.77 -2.61 113.55 122.80 2aqb h SER 14 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2aqb h SER 14 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2aqb h SER 14 CO 0.42 0.10 0.00 2.30 -0.87 0.00 0.00 176.83 178.78 2aqb n ILE 15 N -3.77 1.81 0.00 0.95 -5.35 -1.26 -4.40 119.36 107.34 2aqb n ILE 15 Ca -0.02 -1.51 0.00 0.00 -0.27 0.00 0.00 62.75 60.94 2aqb n ILE 15 Cb 0.21 0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.14 2aqb n ILE 15 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2aqb n GLY 16 N -0.02 3.73 0.87 3.28 0.00 -0.98 -3.74 105.19 108.32 2aqb n GLY 16 Ca 0.18 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 45.91 2aqb n GLY 16 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2aqb n ASN 17 N 0.00 2.60 -3.41 1.61 3.02 -1.26 0.15 115.26 117.97 2aqb n ASN 17 Ca 0.00 -1.87 -0.06 0.00 -0.03 0.00 0.00 54.58 52.62 2aqb n ASN 17 Cb 0.00 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 2aqb n ASN 17 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2aqb s ASN 18 N -1.52 -0.09 0.46 6.41 2.20 -1.12 -4.58 114.94 116.70 2aqb s ASN 18 Ca 0.35 -0.77 0.21 0.00 -0.94 0.00 0.00 52.86 51.72 2aqb s ASN 18 Cb 0.20 0.67 1.11 0.00 -2.00 0.00 0.00 41.25 41.24 2aqb s ASN 18 CO 0.29 -1.30 1.95 0.06 -2.94 0.00 0.00 177.10 175.16 2aqb h GLN 19 N 2.00 0.00 0.08 3.55 3.07 -1.92 -1.61 115.11 120.27 2aqb h GLN 19 Ca -0.26 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.47 2aqb h GLN 19 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.80 2aqb h GLN 19 CO 0.32 0.22 -0.04 1.96 0.09 0.00 0.00 178.83 181.39 2aqb h GLN 20 N 0.00 -0.10 -0.84 0.06 7.50 -1.98 -0.84 115.11 118.91 2aqb h GLN 20 Ca -0.00 0.01 -0.00 0.00 0.50 0.00 0.00 58.65 59.15 2aqb h GLN 20 Cb 0.50 0.02 -0.04 0.00 0.05 0.00 0.00 27.48 28.01 2aqb h GLN 20 CO 0.03 0.35 0.52 0.93 -1.50 0.00 0.00 178.83 179.16 2aqb h GLU 21 N -0.59 1.13 -0.44 1.46 5.08 -1.88 -1.83 114.58 117.52 2aqb h GLU 21 Ca -0.01 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 2aqb h GLU 21 Cb 0.49 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2aqb h GLU 21 CO 0.02 0.78 0.02 0.28 -1.00 0.00 0.00 179.01 179.11 2aqb h VAL 22 N 1.16 1.26 -0.72 3.13 2.07 -1.33 -2.17 116.25 119.64 2aqb h VAL 22 Ca 0.30 -1.00 0.06 0.00 0.82 0.00 0.00 66.70 66.89 2aqb h VAL 22 Cb -0.07 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 2aqb h VAL 22 CO -0.06 0.34 0.41 0.25 0.02 0.00 0.00 177.57 178.54 2aqb h LEU 23 N 0.61 0.62 -0.74 2.57 6.46 -0.84 -0.98 115.31 123.02 2aqb h LEU 23 Ca 0.13 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.87 2aqb h LEU 23 Cb 0.46 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.26 2aqb h LEU 23 CO 0.02 0.40 0.27 0.00 -0.62 0.00 0.00 178.44 178.51 2aqb h ALA 24 N 1.36 0.96 -0.21 1.25 0.00 -1.18 -2.33 119.26 119.11 2aqb h ALA 24 Ca 0.32 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 2aqb h ALA 24 Cb 0.19 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2aqb h ALA 24 CO -0.18 0.60 -0.55 0.77 0.00 0.00 0.00 179.25 179.90 2aqb h SER 25 N 1.07 0.71 -0.40 0.00 0.02 -1.06 -2.60 113.55 111.30 2aqb h SER 25 Ca 0.24 -0.38 -0.07 0.00 -0.84 0.00 0.00 61.79 60.74 2aqb h SER 25 Cb 0.25 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2aqb h SER 25 CO -0.02 1.12 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.69 2aqb h LEU 26 N 0.49 0.72 -0.77 5.07 3.38 -1.04 0.12 115.31 123.29 2aqb h LEU 26 Ca 0.01 -0.33 -0.13 0.00 0.09 0.00 0.00 57.88 57.52 2aqb h LEU 26 Cb 1.11 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2aqb h LEU 26 CO 0.11 0.87 -0.53 0.03 0.09 0.00 0.00 178.44 179.01 2aqb h ARG 27 N 0.55 0.23 0.00 1.13 3.08 -1.49 -3.01 114.38 114.87 2aqb h ARG 27 Ca 0.11 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2aqb h ARG 27 Cb 0.52 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.58 2aqb h ARG 27 CO 0.03 0.70 -0.14 1.49 -1.07 0.00 0.00 179.97 180.98 2aqb h GLU 28 N 0.18 0.00 -2.73 0.04 4.57 -1.37 -3.44 114.58 111.82 2aqb h GLU 28 Ca 0.00 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 57.93 2aqb h GLU 28 Cb 1.00 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 29.62 2aqb h GLU 28 CO 0.08 0.00 -0.37 0.41 -1.18 0.00 0.00 179.01 177.95 2aqb n GLY 29 N 1.19 -0.08 3.74 1.92 0.00 -0.11 -4.99 105.19 106.85 2aqb n GLY 29 Ca 0.04 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 2aqb n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2aqb s ARG 30 N -5.13 4.58 0.19 1.61 3.52 0.24 -4.99 118.95 118.97 2aqb s ARG 30 Ca 0.15 1.76 -0.23 0.00 -0.13 0.00 0.00 55.73 57.28 2aqb s ARG 30 Cb -0.07 -3.26 -0.08 0.00 -1.56 0.00 0.00 34.95 29.98 2aqb s ARG 30 CO 0.19 0.07 0.76 0.45 -0.81 0.00 0.00 175.30 175.96 2aqb s SER 31 N -0.19 7.27 -0.02 -2.12 0.15 -1.26 -4.77 113.70 112.75 2aqb s SER 31 Ca 0.49 1.57 0.19 0.00 0.70 0.00 0.00 55.95 58.90 2aqb s SER 31 Cb -0.30 -2.47 0.56 0.00 -1.71 0.00 0.00 66.02 62.10 2aqb s SER 31 CO 0.36 0.14 1.47 0.61 1.20 0.00 0.00 173.24 177.02 2aqb n GLY 32 N 1.26 2.66 3.72 9.45 0.00 -0.31 -4.95 105.19 117.01 2aqb n GLY 32 Ca -0.04 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 44.90 2aqb n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aqb s ILE 33 N -1.16 5.21 0.16 -0.61 -1.09 -1.26 -3.90 121.20 118.55 2aqb s ILE 33 Ca 0.42 0.86 0.05 0.00 -2.23 0.00 0.00 60.65 59.75 2aqb s ILE 33 Cb 0.23 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 2aqb s ILE 33 CO 0.27 0.33 -0.12 0.42 -1.23 0.00 0.00 174.94 174.61 2aqb s THR 34 N 0.69 1.33 0.33 2.92 -4.23 -0.34 -4.22 115.64 112.13 2aqb s THR 34 Ca 0.24 -2.08 -0.29 0.00 -1.18 0.00 0.00 61.69 58.38 2aqb s THR 34 Cb -0.15 -1.87 -0.10 0.00 1.34 0.00 0.00 72.50 71.71 2aqb s THR 34 CO 0.09 -0.68 1.38 0.12 -0.54 0.00 0.00 174.62 174.99 2aqb s PHE 35 N -3.14 2.90 -0.26 3.99 2.19 -1.26 -1.38 117.98 121.02 2aqb s PHE 35 Ca 0.18 1.29 0.02 0.00 0.33 0.00 0.00 56.93 58.74 2aqb s PHE 35 Cb 0.01 -3.80 0.05 0.00 -1.31 0.00 0.00 43.02 37.97 2aqb s PHE 35 CO 0.02 -2.31 -0.09 0.45 1.83 0.00 0.00 175.22 175.12 2aqb s SER 36 N -0.27 4.43 0.20 6.13 0.15 0.16 -4.88 113.70 119.62 2aqb s SER 36 Ca 0.51 -1.28 -0.07 0.00 0.70 0.00 0.00 55.95 55.81 2aqb s SER 36 Cb -0.42 -1.58 0.14 0.00 -1.71 0.00 0.00 66.02 62.45 2aqb s SER 36 CO 0.55 -0.18 1.67 -0.61 1.20 0.00 0.00 173.24 175.87 2aqb h GLN 37 N 7.85 1.00 -0.63 5.44 5.75 -1.95 -2.78 115.11 129.78 2aqb h GLN 37 Ca -0.22 -0.31 0.08 0.00 -0.15 0.00 0.00 58.65 58.05 2aqb h GLN 37 Cb 1.06 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 29.44 2aqb h GLN 37 CO 0.50 0.98 0.29 1.49 -2.65 0.00 0.00 178.83 179.44 2aqb h GLU 38 N 0.92 0.51 -0.01 1.69 4.81 -1.96 0.62 114.58 121.16 2aqb h GLU 38 Ca 0.17 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2aqb h GLU 38 Cb 0.53 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 2aqb h GLU 38 CO 0.03 0.34 0.00 -0.07 -0.73 0.00 0.00 179.01 178.57 2aqb h LEU 39 N 0.52 0.01 -0.10 1.64 3.38 -1.86 -2.64 115.31 116.27 2aqb h LEU 39 Ca 0.31 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 58.06 2aqb h LEU 39 Cb 0.31 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2aqb h LEU 39 CO -0.25 0.26 -0.11 0.50 0.09 0.00 0.00 178.44 178.92 2aqb h LYS 40 N -0.23 -0.13 -0.85 1.13 3.64 -1.34 -2.50 116.57 116.29 2aqb h LYS 40 Ca 0.00 0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.58 2aqb h LYS 40 Cb 0.25 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 2aqb h LYS 40 CO 0.00 -0.09 0.57 -0.44 -2.27 0.00 0.00 179.45 177.22 2aqb h ASP 41 N -0.14 0.37 1.04 4.20 3.45 -0.87 -1.73 116.42 122.73 2aqb h ASP 41 Ca 0.08 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.57 2aqb h ASP 41 Cb 0.25 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 38.98 2aqb h ASP 41 CO -0.19 0.16 0.00 0.77 -1.57 0.00 0.00 179.24 178.41 2aqb h SER 42 N 0.37 0.00 0.00 6.45 4.64 -1.06 -3.46 113.55 120.49 2aqb h SER 42 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 2aqb h SER 42 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2aqb h SER 42 CO -0.14 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.43 2aqb n GLY 43 N 0.18 1.21 3.82 -0.77 0.00 -0.65 -5.10 105.19 103.88 2aqb n GLY 43 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 2aqb n GLY 43 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2aqb s MET 44 N -0.49 2.43 -0.08 1.61 -1.94 -1.17 -5.00 119.30 114.66 2aqb s MET 44 Ca 0.00 0.67 0.16 0.00 -1.71 0.00 0.00 55.69 54.82 2aqb s MET 44 Cb 0.00 -1.95 -0.23 0.00 2.01 0.00 0.00 34.83 34.66 2aqb s MET 44 CO 0.00 -1.39 0.45 0.54 -0.01 0.00 0.00 175.02 174.61 2aqb n ARG 45 N -3.28 0.65 -2.95 2.03 1.74 -1.26 -4.74 116.66 108.85 2aqb n ARG 45 Ca 0.07 0.12 -0.41 0.00 -0.77 0.00 0.00 57.85 56.86 2aqb n ARG 45 Cb 0.56 -1.67 -0.04 0.00 -1.02 0.00 0.00 32.46 30.29 2aqb n ARG 45 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2aqb s SER 46 N -5.66 6.91 -0.10 0.55 0.15 -1.26 -4.67 113.70 109.62 2aqb s SER 46 Ca -0.07 1.11 0.13 0.00 0.70 0.00 0.00 55.95 57.83 2aqb s SER 46 Cb 0.08 -2.43 0.26 0.00 -1.71 0.00 0.00 66.02 62.22 2aqb s SER 46 CO 0.83 -0.34 1.17 1.41 1.20 0.00 0.00 173.24 177.51 2aqb n HIS 47 N 4.99 0.20 -4.44 3.44 8.25 -1.26 -4.44 115.22 121.96 2aqb n HIS 47 Ca 0.03 -0.82 -0.29 0.00 -0.26 0.00 0.00 57.72 56.38 2aqb n HIS 47 Cb 0.49 -0.14 -0.13 0.00 1.12 0.00 0.00 29.99 31.33 2aqb n HIS 47 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2aqb s VAL 48 N -2.26 2.26 0.15 1.59 -7.23 -1.26 0.36 120.40 114.00 2aqb s VAL 48 Ca 0.25 -1.72 -0.18 0.00 -1.81 0.00 0.00 61.98 58.53 2aqb s VAL 48 Cb 0.21 -1.99 0.04 0.00 0.56 0.00 0.00 36.38 35.20 2aqb s VAL 48 CO 0.04 0.12 0.47 -1.66 -0.31 0.00 0.00 175.10 173.76 2aqb s TRP 49 N -1.04 -0.27 -1.04 2.82 -2.14 -0.48 -4.48 118.94 112.32 2aqb s TRP 49 Ca 0.14 -0.03 -0.11 0.00 2.66 0.00 0.00 56.10 58.76 2aqb s TRP 49 Cb -0.10 0.35 0.24 0.00 -3.10 0.00 0.00 33.47 30.87 2aqb s TRP 49 CO 0.06 -0.77 1.05 0.20 -2.66 0.00 0.00 176.95 174.82 2aqb s GLY 50 N -2.80 2.94 0.30 3.67 0.00 0.19 -1.19 107.32 110.42 2aqb s GLY 50 Ca 0.04 -3.61 -0.12 0.00 0.00 0.00 0.00 44.72 41.02 2aqb s GLY 50 CO -0.11 1.42 0.67 0.54 0.00 0.00 0.00 173.10 175.62 2aqb s ASN 51 N 1.81 6.69 -0.14 1.64 4.22 -1.25 -1.77 114.94 126.13 2aqb s ASN 51 Ca 0.29 1.13 -0.29 0.00 -2.14 0.00 0.00 52.86 51.84 2aqb s ASN 51 Cb -0.09 -2.31 -0.01 0.00 1.28 0.00 0.00 41.25 40.12 2aqb s ASN 51 CO -0.08 -0.18 1.01 -0.69 -2.04 0.00 0.00 177.10 175.12 2aqb s VAL 52 N -1.97 4.76 -1.10 3.54 1.01 -1.26 -4.14 120.40 121.24 2aqb s VAL 52 Ca 0.51 2.02 -0.06 0.00 0.00 0.00 0.00 61.98 64.45 2aqb s VAL 52 Cb -0.11 -4.31 0.29 0.00 0.00 0.00 0.00 36.38 32.26 2aqb s VAL 52 CO 0.20 -0.04 1.34 0.29 0.00 0.00 0.00 175.10 176.89 2aqb n LYS 53 N 5.35 4.05 -3.72 2.72 4.76 -1.26 -4.95 118.16 125.11 2aqb n LYS 53 Ca 0.09 -4.48 -0.11 0.00 -2.87 0.00 0.00 58.31 50.94 2aqb n LYS 53 Cb 0.48 -2.55 -0.11 0.00 -1.84 0.00 0.00 35.03 31.01 2aqb n LYS 53 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2aqb s LEU 54 N -2.02 0.19 -0.57 -0.35 2.96 -1.26 -4.95 118.68 112.69 2aqb s LEU 54 Ca 0.31 0.77 -0.24 0.00 -0.22 0.00 0.00 54.13 54.75 2aqb s LEU 54 Cb -0.02 1.19 0.04 0.00 0.50 0.00 0.00 46.19 47.90 2aqb s LEU 54 CO 0.02 -0.17 0.97 -0.62 -1.32 0.00 0.00 176.35 175.23 2aqb s ASP 55 N 1.07 6.33 0.00 3.68 3.68 -1.26 -4.91 116.67 125.26 2aqb s ASP 55 Ca -0.07 -0.37 0.18 0.00 2.13 0.00 0.00 52.55 54.41 2aqb s ASP 55 Cb -0.07 -2.45 0.71 0.00 -1.45 0.00 0.00 42.92 39.66 2aqb s ASP 55 CO -0.09 -1.28 1.51 0.35 0.13 0.00 0.00 175.17 175.79 2aqb n THR 56 N 6.21 0.20 -1.80 1.71 -2.24 -1.26 -4.89 114.28 112.22 2aqb n THR 56 Ca 0.02 -0.29 -0.42 0.00 -2.27 0.00 0.00 64.05 61.09 2aqb n THR 56 Cb 0.47 0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.89 2aqb n THR 56 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2aqb s THR 57 N -1.80 2.71 0.00 4.28 2.01 -1.26 -2.61 115.64 118.98 2aqb s THR 57 Ca 0.29 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.50 2aqb s THR 57 Cb 0.15 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.52 2aqb s THR 57 CO 0.23 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.77 2aqb n GLY 58 N 4.14 1.43 0.18 4.40 0.00 -1.26 -4.88 105.19 109.19 2aqb n GLY 58 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 2aqb n GLY 58 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2aqb h LEU 59 N 0.00 0.00 -8.38 0.99 4.07 -1.84 -3.44 115.31 106.72 2aqb h LEU 59 Ca 0.00 0.00 -0.63 0.00 0.08 0.00 0.00 57.88 57.33 2aqb h LEU 59 Cb 0.00 0.00 -0.31 0.00 1.08 0.00 0.00 40.66 41.43 2aqb h LEU 59 CO 0.00 0.31 -0.86 -0.63 -1.08 0.00 0.00 178.44 176.18 2aqb s ILE 60 N -3.13 1.73 0.31 1.22 1.01 -1.26 -5.08 121.20 116.00 2aqb s ILE 60 Ca 0.04 -0.90 -0.29 0.00 0.00 0.00 0.00 60.65 59.51 2aqb s ILE 60 Cb 0.07 -1.47 -0.13 0.00 0.01 0.00 0.00 42.46 40.94 2aqb s ILE 60 CO 0.71 0.49 1.24 0.47 0.00 0.00 0.00 174.94 177.85 2aqb n ASP 61 N 2.94 2.42 -0.26 3.58 8.00 -1.26 -4.68 116.55 127.30 2aqb n ASP 61 Ca -0.17 1.19 0.06 0.00 0.71 0.00 0.00 54.79 56.58 2aqb n ASP 61 Cb 0.52 -1.43 0.19 0.00 -0.02 0.00 0.00 41.12 40.38 2aqb n ASP 61 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2aqb h ARG 62 N 2.67 0.19 0.00 -1.24 9.65 -1.99 -0.18 114.38 123.48 2aqb h ARG 62 Ca -0.44 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 2aqb h ARG 62 Cb 1.30 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.83 2aqb h ARG 62 CO 0.64 0.12 0.00 1.63 2.80 0.00 0.00 179.97 185.16 2aqb n LYS 63 N -5.24 0.21 -0.06 0.20 5.02 -1.26 -2.64 118.16 114.38 2aqb n LYS 63 Ca 0.15 0.29 -0.22 0.00 -2.02 0.00 0.00 58.31 56.51 2aqb n LYS 63 Cb 0.49 -1.80 -0.13 0.00 -0.02 0.00 0.00 35.03 33.58 2aqb n LYS 63 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2aqb n VAL 64 N -2.18 1.65 0.23 -0.18 0.31 -0.25 -4.46 118.33 113.46 2aqb n VAL 64 Ca 0.04 -0.44 0.12 0.00 -0.01 0.00 0.00 64.34 64.05 2aqb n VAL 64 Cb 0.33 -1.80 0.43 0.00 -0.91 0.00 0.00 33.84 31.90 2aqb n VAL 64 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 2aqb h VAL 65 N -0.35 0.35 -0.01 2.52 3.04 -1.10 -3.16 116.25 117.53 2aqb h VAL 65 Ca -0.45 -1.05 0.00 0.00 -1.01 0.00 0.00 66.70 64.19 2aqb h VAL 65 Cb 1.77 1.80 -0.00 0.00 -2.01 0.00 0.00 31.29 32.85 2aqb h VAL 65 CO -0.07 0.15 0.03 0.08 -1.01 0.00 0.00 177.57 176.75 2aqb h ARG 66 N 0.00 0.00 -0.01 4.17 0.11 -1.72 -0.31 114.38 116.62 2aqb h ARG 66 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2aqb h ARG 66 Cb 0.79 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.87 2aqb h ARG 66 CO 0.02 0.00 -0.41 1.19 0.10 0.00 0.00 179.97 180.87 2aqb n PHE 67 N -3.33 0.00 -4.07 4.08 3.72 -1.19 -4.85 117.46 111.82 2aqb n PHE 67 Ca -0.03 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.02 2aqb n PHE 67 Cb 0.11 -0.14 -0.08 0.00 -0.94 0.00 0.00 39.48 38.42 2aqb n PHE 67 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 2aqb s MET 68 N -2.69 3.51 0.78 -1.08 -1.94 -0.13 -2.82 119.30 114.93 2aqb s MET 68 Ca 0.18 -0.29 -0.08 0.00 -1.71 0.00 0.00 55.69 53.80 2aqb s MET 68 Cb 0.18 -3.08 0.12 0.00 2.01 0.00 0.00 34.83 34.06 2aqb s MET 68 CO 0.61 0.57 1.10 -1.54 -0.01 0.00 0.00 175.02 175.75 2aqb s SER 69 N -0.47 4.17 0.26 3.03 1.04 -1.26 -4.91 113.70 115.56 2aqb s SER 69 Ca 0.10 0.15 -0.05 0.00 0.48 0.00 0.00 55.95 56.63 2aqb s SER 69 Cb -0.12 -0.54 0.31 0.00 0.10 0.00 0.00 66.02 65.78 2aqb s SER 69 CO 0.02 -2.01 1.94 0.44 0.98 0.00 0.00 173.24 174.61 2aqb h ASP 70 N -0.88 1.10 -0.77 7.02 3.45 -1.93 -1.72 116.42 122.68 2aqb h ASP 70 Ca -0.42 -0.03 0.09 0.00 0.43 0.00 0.00 57.03 57.10 2aqb h ASP 70 Cb 1.28 -0.27 -0.07 0.00 -0.56 0.00 0.00 39.33 39.70 2aqb h ASP 70 CO 0.47 0.80 0.42 0.00 -1.57 0.00 0.00 179.24 179.37 2aqb h ALA 71 N 1.40 1.08 -0.41 3.45 0.00 -1.87 0.39 119.26 123.31 2aqb h ALA 71 Ca 0.35 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.20 2aqb h ALA 71 Cb -0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2aqb h ALA 71 CO -0.08 0.05 -0.13 0.77 0.00 0.00 0.00 179.25 179.87 2aqb h SER 72 N 0.73 0.82 -0.35 0.00 0.02 -1.79 -2.06 113.55 110.92 2aqb h SER 72 Ca 0.37 -0.38 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2aqb h SER 72 Cb 0.33 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 2aqb h SER 72 CO -0.24 1.01 0.21 0.40 -1.14 0.00 0.00 176.83 177.07 2aqb h ILE 73 N 0.63 1.05 -0.59 3.27 2.04 -0.82 0.16 117.51 123.24 2aqb h ILE 73 Ca 0.10 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 2aqb h ILE 73 Cb 0.67 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 2aqb h ILE 73 CO 0.05 0.08 0.11 1.88 0.00 0.00 0.00 178.15 180.26 2aqb h TYR 74 N 0.42 1.03 -0.44 1.37 0.05 -0.91 -2.09 116.97 116.40 2aqb h TYR 74 Ca 0.13 -0.14 -0.13 0.00 0.05 0.00 0.00 58.73 58.65 2aqb h TYR 74 Cb -0.01 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.43 2aqb h TYR 74 CO -0.07 0.89 -0.23 0.00 -1.05 0.00 0.00 178.16 177.70 2aqb h ALA 75 N 1.02 0.62 -0.18 3.88 0.00 -1.21 -2.44 119.26 120.95 2aqb h ALA 75 Ca 0.18 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2aqb h ALA 75 Cb 0.40 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2aqb h ALA 75 CO 0.01 0.61 0.09 0.35 0.00 0.00 0.00 179.25 180.31 2aqb h PHE 76 N 0.76 0.16 -0.54 0.00 3.04 -0.54 -0.22 116.94 119.60 2aqb h PHE 76 Ca 0.10 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.97 2aqb h PHE 76 Cb 0.81 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 39.25 2aqb h PHE 76 CO 0.06 0.09 0.01 -0.07 -2.02 0.00 0.00 178.31 176.38 2aqb h LEU 77 N 0.19 0.88 -0.81 0.59 3.38 -1.39 -0.63 115.31 117.53 2aqb h LEU 77 Ca 0.07 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2aqb h LEU 77 Cb 0.02 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 2aqb h LEU 77 CO -0.05 0.94 0.36 0.28 0.09 0.00 0.00 178.44 180.06 2aqb h SER 78 N 0.85 1.07 -0.47 -0.43 0.02 -1.29 -2.37 113.55 110.93 2aqb h SER 78 Ca 0.16 -0.15 -0.11 0.00 -0.84 0.00 0.00 61.79 60.86 2aqb h SER 78 Cb 0.48 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 2aqb h SER 78 CO 0.02 0.92 -0.10 -0.03 -1.14 0.00 0.00 176.83 176.51 2aqb h MET 79 N 1.15 0.95 -0.25 3.45 1.85 -0.50 -0.09 114.93 121.49 2aqb h MET 79 Ca 0.27 -0.33 0.03 0.00 -0.61 0.00 0.00 59.70 59.06 2aqb h MET 79 Cb 0.15 -0.07 -0.03 0.00 0.43 0.00 0.00 31.60 32.08 2aqb h MET 79 CO -0.03 0.99 0.07 0.93 -0.40 0.00 0.00 176.91 178.47 2aqb h GLU 80 N 0.85 0.17 -0.57 0.39 5.08 -0.97 -0.64 114.58 118.90 2aqb h GLU 80 Ca 0.14 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 2aqb h GLU 80 Cb 0.64 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 2aqb h GLU 80 CO 0.04 0.11 0.35 1.96 -1.00 0.00 0.00 179.01 180.47 2aqb h GLN 81 N 0.18 0.66 -0.60 2.33 4.20 -1.18 -2.49 115.11 118.21 2aqb h GLN 81 Ca 0.11 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.69 2aqb h GLN 81 Cb 0.10 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 2aqb h GLN 81 CO -0.13 0.44 0.00 0.00 -0.67 0.00 0.00 178.83 178.47 2aqb h ALA 82 N 1.25 0.88 0.07 3.87 0.00 -0.69 0.12 119.26 124.76 2aqb h ALA 82 Ca 0.23 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2aqb h ALA 82 Cb 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2aqb h ALA 82 CO -0.10 0.66 -0.09 0.82 0.00 0.00 0.00 179.25 180.55 2aqb h ILE 83 N 0.95 0.80 -0.14 0.00 5.03 -0.95 0.17 117.51 123.37 2aqb h ILE 83 Ca 0.17 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.90 2aqb h ILE 83 Cb 0.54 0.80 -0.01 0.00 -3.03 0.00 0.00 36.82 35.12 2aqb h ILE 83 CO 0.03 0.00 0.06 0.00 -0.68 0.00 0.00 178.15 177.56 2aqb h ALA 84 N 0.73 0.18 0.00 1.87 0.00 -1.33 -1.78 119.26 118.93 2aqb h ALA 84 Ca 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2aqb h ALA 84 Cb 0.19 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2aqb h ALA 84 CO -0.03 -0.24 -0.09 0.22 0.00 0.00 0.00 179.25 179.11 2aqb h ASP 85 N 0.08 0.00 1.64 0.00 3.58 -0.65 -0.92 116.42 120.15 2aqb h ASP 85 Ca 0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2aqb h ASP 85 Cb 0.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2aqb h ASP 85 CO -0.00 0.09 -0.00 0.00 -2.88 0.00 0.00 179.24 176.44 2aqb h ALA 86 N 1.91 1.00 -0.06 -0.78 0.00 -0.66 -3.43 119.26 117.23 2aqb h ALA 86 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2aqb h ALA 86 Cb 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2aqb h ALA 86 CO 0.01 0.00 -0.01 0.41 0.00 0.00 0.00 179.25 179.66 2aqb n GLY 87 N 1.24 0.39 3.85 0.00 0.00 -0.35 -4.75 105.19 105.57 2aqb n GLY 87 Ca 0.05 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.74 2aqb n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqb s LEU 88 N -0.17 4.44 0.23 0.99 1.02 -0.71 -5.04 118.68 119.43 2aqb s LEU 88 Ca 0.00 0.82 0.12 0.00 0.02 0.00 0.00 54.13 55.08 2aqb s LEU 88 Cb 0.00 -2.53 -0.05 0.00 0.02 0.00 0.00 46.19 43.63 2aqb s LEU 88 CO 0.00 0.32 -0.22 -0.44 0.02 0.00 0.00 176.35 176.03 2aqb s SER 89 N -1.19 3.52 0.28 2.29 0.01 -1.26 -4.56 113.70 112.79 2aqb s SER 89 Ca 0.23 -0.92 -0.00 0.00 1.31 0.00 0.00 55.95 56.57 2aqb s SER 89 Cb -0.15 -0.29 0.64 0.00 0.21 0.00 0.00 66.02 66.43 2aqb s SER 89 CO 0.12 0.09 1.65 -0.65 0.41 0.00 0.00 173.24 174.86 2aqb h PRO 90 N 2.82 0.19 -0.07 12.44 0.11 -1.98 0.63 132.00 146.14 2aqb h PRO 90 Ca -0.44 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.68 2aqb h PRO 90 Cb 1.23 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2aqb h PRO 90 CO 0.53 0.13 0.20 1.05 -0.21 0.00 0.00 178.00 179.69 2aqb h GLU 91 N 0.20 0.00 0.08 1.05 9.09 -1.97 0.10 114.58 123.12 2aqb h GLU 91 Ca 0.52 0.00 -0.36 0.00 0.05 0.00 0.00 59.36 59.57 2aqb h GLU 91 Cb 1.01 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.07 2aqb h GLU 91 CO -0.65 0.00 -2.08 0.00 0.05 0.00 0.00 179.01 176.33 2aqb n ALA 92 N -2.10 1.11 -0.01 1.06 0.00 0.20 -4.68 120.51 116.08 2aqb n ALA 92 Ca -0.01 -0.75 0.04 0.00 0.00 0.00 0.00 53.44 52.72 2aqb n ALA 92 Cb 0.28 -0.56 -0.09 0.00 0.00 0.00 0.00 19.45 19.08 2aqb n ALA 92 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2aqb n TYR 93 N -3.35 0.00 -3.16 0.00 0.18 -1.02 -4.90 117.16 104.91 2aqb n TYR 93 Ca -0.33 0.00 -0.36 0.00 1.88 0.00 0.00 57.90 59.09 2aqb n TYR 93 Cb 1.04 -0.30 -0.06 0.00 -0.38 0.00 0.00 39.34 39.64 2aqb n TYR 93 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 2aqb s GLN 94 N -2.72 4.18 -1.51 -3.48 -0.21 0.33 -4.08 119.66 112.17 2aqb s GLN 94 Ca -0.04 0.78 -0.13 0.00 0.02 0.00 0.00 55.36 55.98 2aqb s GLN 94 Cb 0.07 -2.89 0.09 0.00 1.00 0.00 0.00 33.01 31.28 2aqb s GLN 94 CO 0.47 0.41 0.82 0.09 -2.12 0.00 0.00 175.29 174.97 2aqb n ASN 95 N 0.73 -4.48 -4.02 5.90 3.02 0.79 -4.82 115.26 112.39 2aqb n ASN 95 Ca -0.03 -0.69 -0.31 0.00 -0.03 0.00 0.00 54.58 53.52 2aqb n ASN 95 Cb 0.51 -3.61 -0.15 0.00 -0.61 0.00 0.00 39.78 35.92 2aqb n ASN 95 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2aqb s ASN 96 N -3.12 4.45 0.62 6.41 3.84 -1.26 -4.94 114.94 120.95 2aqb s ASN 96 Ca 0.60 -1.62 0.27 0.00 0.21 0.00 0.00 52.86 52.32 2aqb s ASN 96 Cb -0.30 -1.50 1.42 0.00 -0.55 0.00 0.00 41.25 40.31 2aqb s ASN 96 CO 0.74 -0.27 1.82 -0.65 -2.79 0.00 0.00 177.10 175.95 2aqb h PRO 97 N 7.76 0.00 -0.65 0.43 0.11 -1.93 -0.83 132.00 136.89 2aqb h PRO 97 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 2aqb h PRO 97 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2aqb h PRO 97 CO 0.47 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.80 2aqb n ARG 98 N -3.35 3.28 -4.36 1.05 1.74 -1.26 -3.77 116.66 110.00 2aqb n ARG 98 Ca 0.05 -2.53 -0.28 0.00 -0.77 0.00 0.00 57.85 54.32 2aqb n ARG 98 Cb 0.64 -1.77 -0.17 0.00 -1.02 0.00 0.00 32.46 30.14 2aqb n ARG 98 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2aqb s VAL 99 N -1.69 1.43 0.20 1.55 1.01 -0.32 -0.04 120.40 122.54 2aqb s VAL 99 Ca 0.46 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.86 2aqb s VAL 99 Cb 0.28 -1.32 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 2aqb s VAL 99 CO 0.24 0.43 0.06 0.61 0.00 0.00 0.00 175.10 176.43 2aqb n GLY 100 N 4.32 3.73 3.05 4.51 0.00 0.15 -0.85 105.19 120.10 2aqb n GLY 100 Ca -0.18 -2.05 -0.13 0.00 0.00 0.00 0.00 46.02 43.66 2aqb n GLY 100 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2aqb s LEU 101 N 0.00 -0.01 -0.27 0.99 1.98 -0.22 -1.19 118.68 119.96 2aqb s LEU 101 Ca 0.08 0.60 -0.00 0.00 -2.89 0.00 0.00 54.13 51.92 2aqb s LEU 101 Cb 0.00 0.78 0.08 0.00 0.66 0.00 0.00 46.19 47.72 2aqb s LEU 101 CO 0.06 -0.21 0.03 -0.63 -1.89 0.00 0.00 176.35 173.72 2aqb s ILE 102 N 1.88 1.15 -0.15 6.68 1.01 -0.23 -3.10 121.20 128.44 2aqb s ILE 102 Ca -0.04 -1.27 -0.16 0.00 0.00 0.00 0.00 60.65 59.18 2aqb s ILE 102 Cb -0.11 -1.69 0.04 0.00 0.01 0.00 0.00 42.46 40.72 2aqb s ILE 102 CO -0.09 -0.40 0.44 0.00 0.00 0.00 0.00 174.94 174.89 2aqb s ALA 103 N 1.52 -1.08 0.33 9.38 0.00 -1.13 -2.48 121.76 128.30 2aqb s ALA 103 Ca 0.03 1.18 -0.03 0.00 0.00 0.00 0.00 51.96 53.13 2aqb s ALA 103 Cb -0.18 -0.64 -0.00 0.00 0.00 0.00 0.00 23.12 22.30 2aqb s ALA 103 CO -0.14 -0.22 0.46 0.20 0.00 0.00 0.00 175.76 176.06 2aqb s GLY 104 N 0.08 1.43 0.30 0.00 0.00 -1.05 -3.22 107.32 104.86 2aqb s GLY 104 Ca -0.01 -1.49 0.10 0.00 0.00 0.00 0.00 44.72 43.32 2aqb s GLY 104 CO 0.01 -1.00 -0.13 -1.35 0.00 0.00 0.00 173.10 170.64 2aqb s SER 105 N -3.22 3.42 0.14 1.64 1.04 -1.26 -2.37 113.70 113.09 2aqb s SER 105 Ca 0.30 -1.13 0.02 0.00 0.48 0.00 0.00 55.95 55.63 2aqb s SER 105 Cb -0.00 -0.28 -0.11 0.00 0.10 0.00 0.00 66.02 65.73 2aqb s SER 105 CO 0.19 -0.15 1.31 1.23 0.98 0.00 0.00 173.24 176.80 2aqb h GLY 106 N 2.19 0.18 0.00 7.32 0.00 -1.81 -3.41 103.07 107.53 2aqb h GLY 106 Ca -0.41 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.56 2aqb h GLY 106 CO 0.66 0.32 0.00 0.61 0.00 0.00 0.00 176.54 178.13 2aqb n GLY 107 N 1.12 0.48 7.00 4.60 0.00 -1.26 -4.72 105.19 112.42 2aqb n GLY 107 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2aqb n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqb n GLY 108 N 0.71 2.55 2.48 -0.02 0.00 -1.26 -4.08 105.19 105.56 2aqb n GLY 108 Ca 0.00 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 2aqb n GLY 108 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2aqb s SER 109 N -4.00 2.81 0.36 1.61 0.15 -1.25 -4.65 113.70 108.73 2aqb s SER 109 Ca 0.00 -2.37 0.10 0.00 0.70 0.00 0.00 55.95 54.38 2aqb s SER 109 Cb 0.00 -0.47 0.84 0.00 -1.71 0.00 0.00 66.02 64.68 2aqb s SER 109 CO 0.00 -0.28 1.85 -0.65 1.20 0.00 0.00 173.24 175.36 2aqb h PRO 110 N 6.77 0.65 -0.14 5.44 0.11 -1.91 -1.39 132.00 141.53 2aqb h PRO 110 Ca 0.08 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.19 2aqb h PRO 110 Cb 0.96 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.89 2aqb h PRO 110 CO 0.30 0.43 -0.04 -0.09 -0.21 0.00 0.00 178.00 178.39 2aqb h ARG 111 N 0.66 -0.01 0.00 1.05 2.43 -1.93 0.02 114.38 116.61 2aqb h ARG 111 Ca 0.47 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.55 2aqb h ARG 111 Cb 0.81 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 2aqb h ARG 111 CO -0.23 -0.01 -0.54 0.74 -1.51 0.00 0.00 179.97 178.42 2aqb h PHE 112 N -0.01 0.00 -0.09 2.20 -1.00 -1.89 0.17 116.94 116.32 2aqb h PHE 112 Ca 0.07 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.87 2aqb h PHE 112 Cb 0.12 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.66 2aqb h PHE 112 CO -0.18 0.42 -0.01 1.96 -1.61 0.00 0.00 178.31 178.89 2aqb h GLN 113 N 0.00 0.02 -0.43 1.51 1.08 -1.09 0.11 115.11 116.31 2aqb h GLN 113 Ca -0.02 -0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.04 2aqb h GLN 113 Cb 1.34 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.75 2aqb h GLN 113 CO 0.05 0.02 -0.27 0.28 -0.95 0.00 0.00 178.83 177.96 2aqb h VAL 114 N 0.02 1.27 -0.39 -0.54 2.07 -0.88 -2.12 116.25 115.69 2aqb h VAL 114 Ca 0.04 -1.43 0.05 0.00 0.82 0.00 0.00 66.70 66.18 2aqb h VAL 114 Cb 0.05 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 2aqb h VAL 114 CO -0.07 0.49 0.11 0.15 0.02 0.00 0.00 177.57 178.26 2aqb h PHE 115 N 0.77 0.19 -0.37 1.57 3.57 -0.64 0.21 116.94 122.25 2aqb h PHE 115 Ca 0.09 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.67 2aqb h PHE 115 Cb 0.85 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.51 2aqb h PHE 115 CO 0.06 0.06 0.05 0.78 -2.23 0.00 0.00 178.31 177.02 2aqb h GLY 116 N 0.25 0.41 0.78 2.40 0.00 -0.82 0.75 103.07 106.85 2aqb h GLY 116 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.46 2aqb h GLY 116 CO -0.21 -0.05 -0.11 0.00 0.00 0.00 0.00 176.54 176.17 2aqb h ALA 117 N 1.30 0.25 -0.36 3.60 0.00 -1.10 -1.49 119.26 121.45 2aqb h ALA 117 Ca 0.18 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.85 2aqb h ALA 117 Cb 0.23 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 2aqb h ALA 117 CO -0.26 0.09 0.05 -0.44 0.00 0.00 0.00 179.25 178.69 2aqb h ASP 118 N 0.06 -0.04 -0.59 0.00 3.45 -0.45 -2.01 116.42 116.83 2aqb h ASP 118 Ca 0.04 0.07 -0.06 0.00 0.43 0.00 0.00 57.03 57.50 2aqb h ASP 118 Cb 0.60 0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 39.45 2aqb h ASP 118 CO 0.03 0.01 0.12 0.00 -1.57 0.00 0.00 179.24 177.83 2aqb h ALA 119 N 1.29 0.78 -0.93 3.45 0.00 -0.85 -2.94 119.26 120.07 2aqb h ALA 119 Ca 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2aqb h ALA 119 Cb 0.22 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2aqb h ALA 119 CO -0.25 0.51 0.56 1.98 0.00 0.00 0.00 179.25 182.05 2aqb h MET 120 N 0.87 1.27 0.00 0.00 1.85 -1.04 -2.51 114.93 115.37 2aqb h MET 120 Ca 0.18 -0.12 0.00 0.00 -0.61 0.00 0.00 59.70 59.16 2aqb h MET 120 Cb 0.39 -0.26 0.00 0.00 0.43 0.00 0.00 31.60 32.15 2aqb h MET 120 CO 0.01 0.89 0.00 0.54 -0.40 0.00 0.00 176.91 177.94 2aqb n ARG 121 N -4.35 0.30 -2.02 0.39 1.74 -0.78 -3.98 116.66 107.96 2aqb n ARG 121 Ca 0.10 0.04 -0.29 0.00 -0.77 0.00 0.00 57.85 56.94 2aqb n ARG 121 Cb 0.06 -1.50 0.17 0.00 -1.02 0.00 0.00 32.46 30.18 2aqb n ARG 121 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2aqb s GLY 122 N -2.66 1.78 0.38 -0.13 0.00 -0.94 -4.97 107.32 100.77 2aqb s GLY 122 Ca 0.22 -1.26 0.28 0.00 0.00 0.00 0.00 44.72 43.96 2aqb s GLY 122 CO 0.42 -0.53 1.83 -0.56 0.00 0.00 0.00 173.10 174.26 2aqb h PRO 123 N -1.48 0.00 -0.00 2.90 0.13 -1.87 -3.05 132.00 128.62 2aqb h PRO 123 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2aqb h PRO 123 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2aqb h PRO 123 CO 0.39 0.00 -0.87 0.54 -0.23 0.00 0.00 178.00 177.83 2aqb n ARG 124 N -2.51 0.65 0.00 0.86 1.74 -1.26 -5.05 116.66 111.10 2aqb n ARG 124 Ca 0.00 -0.09 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 2aqb n ARG 124 Cb 0.18 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 2aqb n ARG 124 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2aqb n GLY 125 N 1.45 3.49 0.36 -0.13 0.00 -1.16 -2.23 105.19 106.96 2aqb n GLY 125 Ca 0.04 0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.33 2aqb n GLY 125 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2aqb h LEU 126 N 0.00 0.75 -1.32 0.99 4.07 -1.87 -0.55 115.31 117.39 2aqb h LEU 126 Ca 0.00 0.10 -0.05 0.00 0.08 0.00 0.00 57.88 58.01 2aqb h LEU 126 Cb 0.00 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 2aqb h LEU 126 CO 0.00 0.24 -0.11 0.11 -1.08 0.00 0.00 178.44 177.61 2aqb h LYS 127 N 0.72 0.33 0.05 1.13 1.57 -1.84 -2.18 116.57 116.35 2aqb h LYS 127 Ca 0.59 -0.08 -0.23 0.00 -1.87 0.00 0.00 60.65 59.06 2aqb h LYS 127 Cb 0.97 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 2aqb h LYS 127 CO -0.39 0.45 -1.07 0.00 -0.57 0.00 0.00 179.45 177.87 2aqb h ALA 128 N 1.58 0.28 0.01 3.86 0.00 -1.20 -3.30 119.26 120.50 2aqb h ALA 128 Ca 0.06 -0.88 0.01 0.00 0.00 0.00 0.00 54.91 54.10 2aqb h ALA 128 Cb 0.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2aqb h ALA 128 CO 0.02 1.10 -0.04 0.28 0.00 0.00 0.00 179.25 180.62 2aqb h VAL 129 N 0.04 0.91 -0.74 0.00 2.07 -1.03 -3.47 116.25 114.02 2aqb h VAL 129 Ca -0.06 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.54 2aqb h VAL 129 Cb 1.81 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 2aqb h VAL 129 CO 0.16 0.00 -0.20 0.61 0.02 0.00 0.00 177.57 178.16 2aqb n GLY 130 N -1.14 -2.10 0.64 2.17 0.00 -0.85 -4.65 105.19 99.26 2aqb n GLY 130 Ca -0.07 -1.41 0.04 0.00 0.00 0.00 0.00 46.02 44.58 2aqb n GLY 130 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2aqb n PRO 131 N -2.89 1.85 -0.01 1.61 -0.04 -1.26 -4.30 135.00 129.95 2aqb n PRO 131 Ca -0.01 -1.02 0.01 0.00 -0.04 0.00 0.00 63.50 62.44 2aqb n PRO 131 Cb 0.15 -1.37 0.02 0.00 -0.04 0.00 0.00 33.50 32.26 2aqb n PRO 131 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2aqb n TYR 132 N 0.28 0.02 -0.05 0.54 4.01 -1.26 -4.74 117.16 115.96 2aqb n TYR 132 Ca 0.09 -0.10 -0.09 0.00 -0.16 0.00 0.00 57.90 57.64 2aqb n TYR 132 Cb 0.33 -0.01 0.06 0.00 -0.31 0.00 0.00 39.34 39.41 2aqb n TYR 132 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2aqb h VAL 133 N 0.51 1.29 -0.14 -0.72 2.07 -1.84 -2.93 116.25 114.49 2aqb h VAL 133 Ca 0.00 -1.56 0.03 0.00 0.82 0.00 0.00 66.70 65.99 2aqb h VAL 133 Cb 0.20 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2aqb h VAL 133 CO 0.00 0.50 -0.07 0.58 0.02 0.00 0.00 177.57 178.61 2aqb h VAL 134 N 0.58 0.78 0.00 2.57 2.07 -1.92 0.36 116.25 120.69 2aqb h VAL 134 Ca 0.05 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.50 2aqb h VAL 134 Cb 0.92 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2aqb h VAL 134 CO 0.08 0.00 -0.32 0.71 0.02 0.00 0.00 177.57 178.06 2aqb h THR 135 N -0.05 1.04 -0.06 2.57 1.35 -1.81 0.17 112.91 116.12 2aqb h THR 135 Ca 0.08 -1.18 -0.22 0.00 -0.55 0.00 0.00 66.41 64.54 2aqb h THR 135 Cb 0.17 1.67 0.01 0.00 -1.73 0.00 0.00 68.15 68.27 2aqb h THR 135 CO -0.17 0.32 -0.81 0.11 -0.25 0.00 0.00 175.52 174.71 2aqb h LYS 136 N 0.00 0.66 0.00 4.72 1.57 -1.22 -3.40 116.57 118.90 2aqb h LYS 136 Ca -0.00 -0.63 -0.15 0.00 -1.87 0.00 0.00 60.65 58.00 2aqb h LYS 136 Cb 0.65 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.09 2aqb h LYS 136 CO 0.04 1.23 -1.96 0.00 -0.57 0.00 0.00 179.45 178.19 2aqb n ALA 137 N -2.61 2.22 -1.75 3.86 0.00 0.12 -4.12 120.51 118.24 2aqb n ALA 137 Ca -0.09 -0.77 -0.38 0.00 0.00 0.00 0.00 53.44 52.20 2aqb n ALA 137 Cb 0.77 -0.63 0.05 0.00 0.00 0.00 0.00 19.45 19.64 2aqb n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aqb s MET 138 N -3.08 2.99 0.50 0.00 0.23 0.58 -3.78 119.30 116.73 2aqb s MET 138 Ca -0.07 2.16 0.18 0.00 -1.03 0.00 0.00 55.69 56.93 2aqb s MET 138 Cb 0.10 -2.13 1.23 0.00 -1.53 0.00 0.00 34.83 32.50 2aqb s MET 138 CO 0.86 -1.29 2.05 0.00 -2.03 0.00 0.00 175.02 174.62 2aqb h ALA 139 N 1.20 2.16 -0.47 3.16 0.00 -1.93 -0.56 119.26 122.82 2aqb h ALA 139 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2aqb h ALA 139 Cb 1.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2aqb h ALA 139 CO 0.56 -0.24 0.00 -1.13 0.00 0.00 0.00 179.25 178.44 2aqb n SER 140 N -4.46 2.73 -0.35 0.00 3.41 -1.26 -4.48 113.62 109.21 2aqb n SER 140 Ca 0.05 -2.06 0.04 0.00 -0.26 0.00 0.00 58.87 56.64 2aqb n SER 140 Cb 0.33 -0.35 0.12 0.00 -0.26 0.00 0.00 64.21 64.04 2aqb n SER 140 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2aqb h GLY 141 N 4.89 0.59 0.79 5.00 0.00 -1.31 -1.56 103.07 111.47 2aqb h GLY 141 Ca 0.00 0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.72 2aqb h GLY 141 CO 0.03 -0.34 0.43 -2.08 0.00 0.00 0.00 176.54 174.59 2aqb h VAL 142 N -0.00 1.05 0.05 4.60 2.07 -1.84 0.42 116.25 122.60 2aqb h VAL 142 Ca 0.44 -0.28 -0.17 0.00 0.82 0.00 0.00 66.70 67.51 2aqb h VAL 142 Cb 0.69 0.15 0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2aqb h VAL 142 CO -0.99 0.15 -0.71 0.77 0.02 0.00 0.00 177.57 176.81 2aqb h SER 143 N 0.82 0.54 -0.45 0.57 4.64 -1.34 -3.16 113.55 115.16 2aqb h SER 143 Ca 0.30 -0.82 0.04 0.00 -0.47 0.00 0.00 61.79 60.84 2aqb h SER 143 Cb 0.10 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 61.98 2aqb h SER 143 CO -0.14 1.30 0.22 0.00 -0.87 0.00 0.00 176.83 177.34 2aqb h ALA 144 N 0.25 0.57 0.00 5.18 0.00 -1.19 -0.61 119.26 123.46 2aqb h ALA 144 Ca -0.10 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2aqb h ALA 144 Cb 1.45 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2aqb h ALA 144 CO 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.25 2aqb n LEU 146 N -2.63 2.92 -0.10 0.00 4.77 -1.01 -4.44 117.00 116.51 2aqb n LEU 146 Ca 0.02 -0.11 -0.03 0.00 -0.03 0.00 0.00 56.01 55.86 2aqb n LEU 146 Cb 0.28 -0.85 0.20 0.00 -2.33 0.00 0.00 43.42 40.72 2aqb n LEU 146 CO 0.24 0.89 0.93 0.00 -1.33 0.00 0.00 177.39 178.13 2aqb h ALA 147 N -0.05 1.20 0.62 -1.18 0.00 -1.18 -2.36 119.26 116.31 2aqb h ALA 147 Ca -0.55 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.10 2aqb h ALA 147 Cb 1.83 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 19.43 2aqb h ALA 147 CO -0.10 0.54 -0.30 1.15 0.00 0.00 0.00 179.25 180.54 2aqb h THR 148 N 0.73 0.00 0.00 0.00 2.02 -1.79 0.09 112.91 113.96 2aqb h THR 148 Ca 0.15 -0.22 -0.07 0.00 0.77 0.00 0.00 66.41 67.04 2aqb h THR 148 Cb 0.36 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 2aqb h THR 148 CO 0.01 0.00 -0.34 1.55 0.37 0.00 0.00 175.52 177.11 2aqb h PRO 149 N -1.05 0.00 -0.01 6.66 0.13 -1.77 -2.30 132.00 133.66 2aqb h PRO 149 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2aqb h PRO 149 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 2aqb h PRO 149 CO 0.14 0.34 0.00 1.19 -0.23 0.00 0.00 178.00 179.44 2aqb n PHE 150 N -3.98 0.00 -3.56 1.56 3.72 -0.89 -4.94 117.46 109.37 2aqb n PHE 150 Ca -0.02 -0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.17 2aqb n PHE 150 Cb 0.39 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.01 2aqb n PHE 150 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2aqb n LYS 151 N -0.79 -7.09 -2.62 -1.08 4.76 -0.87 -4.56 118.16 105.91 2aqb n LYS 151 Ca 0.22 0.81 -0.41 0.00 -2.87 0.00 0.00 58.31 56.06 2aqb n LYS 151 Cb 0.14 -5.81 -0.04 0.00 -1.84 0.00 0.00 35.03 27.49 2aqb n LYS 151 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2aqb s ILE 152 N -3.36 4.32 -0.16 -0.18 1.01 -0.02 -0.15 121.20 122.66 2aqb s ILE 152 Ca 0.33 1.85 0.08 0.00 0.00 0.00 0.00 60.65 62.91 2aqb s ILE 152 Cb -0.15 -4.18 -0.11 0.00 0.01 0.00 0.00 42.46 38.03 2aqb s ILE 152 CO 0.74 0.25 0.24 1.41 0.00 0.00 0.00 174.94 177.58 2aqb n HIS 153 N 3.03 0.00 -0.01 3.97 8.25 -1.24 -4.85 115.22 124.36 2aqb n HIS 153 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2aqb n HIS 153 Cb 0.48 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.48 2aqb n HIS 153 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2aqb n GLY 154 N 1.69 0.97 3.74 -1.41 0.00 -0.03 -4.64 105.19 105.51 2aqb n GLY 154 Ca -0.00 -1.40 -0.36 0.00 0.00 0.00 0.00 46.02 44.26 2aqb n GLY 154 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2aqb s VAL 155 N 0.39 2.41 -0.29 1.61 -7.23 -1.26 -4.86 120.40 111.16 2aqb s VAL 155 Ca 0.00 0.24 0.04 0.00 -1.81 0.00 0.00 61.98 60.45 2aqb s VAL 155 Cb 0.00 -3.02 0.19 0.00 0.56 0.00 0.00 36.38 34.11 2aqb s VAL 155 CO 0.00 -0.07 0.55 0.21 -0.31 0.00 0.00 175.10 175.48 2aqb s ASN 156 N -1.67 -1.15 0.18 4.85 2.47 -1.24 -1.06 114.94 117.32 2aqb s ASN 156 Ca 0.78 0.13 -0.24 0.00 0.42 0.00 0.00 52.86 53.95 2aqb s ASN 156 Cb -0.32 1.84 0.06 0.00 -1.45 0.00 0.00 41.25 41.38 2aqb s ASN 156 CO 0.38 -0.31 0.93 -0.72 -3.72 0.00 0.00 177.10 173.67 2aqb s TYR 157 N 2.77 -0.11 -0.04 0.43 -0.85 -1.18 -5.01 117.35 113.36 2aqb s TYR 157 Ca 0.11 -0.24 0.03 0.00 -0.52 0.00 0.00 57.07 56.45 2aqb s TYR 157 Cb -0.11 0.66 -0.03 0.00 0.38 0.00 0.00 41.96 42.86 2aqb s TYR 157 CO -0.26 -0.91 -0.11 -1.12 -1.52 0.00 0.00 175.55 171.63 2aqb s SER 158 N -2.98 4.32 -0.13 -0.18 0.01 -1.26 -2.86 113.70 110.62 2aqb s SER 158 Ca 0.13 -0.15 -0.05 0.00 1.31 0.00 0.00 55.95 57.19 2aqb s SER 158 Cb -0.02 -0.97 -0.04 0.00 0.21 0.00 0.00 66.02 65.20 2aqb s SER 158 CO 0.03 0.33 0.04 -0.63 0.41 0.00 0.00 173.24 173.42 2aqb s ILE 159 N -0.83 4.61 -0.08 1.44 1.01 -1.26 -4.96 121.20 121.13 2aqb s ILE 159 Ca 0.13 -0.12 0.05 0.00 0.00 0.00 0.00 60.65 60.71 2aqb s ILE 159 Cb -0.11 -3.00 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 2aqb s ILE 159 CO 0.03 0.55 -0.22 -0.44 0.00 0.00 0.00 174.94 174.86 2aqb s SER 160 N -0.38 3.31 -0.36 3.58 0.01 -1.26 -4.27 113.70 114.33 2aqb s SER 160 Ca 0.08 -0.46 0.13 0.00 1.31 0.00 0.00 55.95 57.01 2aqb s SER 160 Cb -0.12 -1.07 0.41 0.00 0.21 0.00 0.00 66.02 65.46 2aqb s SER 160 CO 0.02 0.23 1.39 -1.54 0.41 0.00 0.00 173.24 173.75 2aqb n SER 161 N 3.08 -1.20 0.00 2.44 3.41 -1.26 -4.91 113.62 115.18 2aqb n SER 161 Ca -0.18 -2.34 0.00 0.00 -0.26 0.00 0.00 58.87 56.09 2aqb n SER 161 Cb 0.52 0.64 0.00 0.00 -0.26 0.00 0.00 64.21 65.12 2aqb n SER 161 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2aqb n ALA 162 N -0.98 0.00 0.53 7.33 0.00 -1.26 -1.29 120.51 124.84 2aqb n ALA 162 Ca -0.08 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.43 2aqb n ALA 162 Cb 0.86 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.62 2aqb n ALA 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aqb n ALA 164 N -1.46 2.82 -0.23 0.00 0.00 -0.41 -4.39 120.51 116.85 2aqb n ALA 164 Ca 0.04 -0.60 -0.07 0.00 0.00 0.00 0.00 53.44 52.80 2aqb n ALA 164 Cb 0.16 -0.61 -0.06 0.00 0.00 0.00 0.00 19.45 18.93 2aqb n ALA 164 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2aqb h THR 165 N 2.80 0.00 0.00 0.00 2.02 -1.49 -1.06 112.91 115.19 2aqb h THR 165 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2aqb h THR 165 Cb 0.68 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 2aqb h THR 165 CO 0.00 0.00 0.00 0.77 0.37 0.00 0.00 175.52 176.66 2aqb h SER 166 N -0.05 0.00 -0.20 4.18 4.64 -1.76 -1.22 113.55 119.14 2aqb h SER 166 Ca 0.09 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.27 2aqb h SER 166 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2aqb h SER 166 CO -0.55 0.00 -0.41 0.00 -0.87 0.00 0.00 176.83 175.00 2aqb h ALA 167 N 2.40 0.32 -0.33 5.18 0.00 -1.59 -2.36 119.26 122.88 2aqb h ALA 167 Ca 0.00 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 2aqb h ALA 167 Cb 0.77 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2aqb h ALA 167 CO 0.00 0.43 -0.11 0.45 0.00 0.00 0.00 179.25 180.02 2aqb h HIS 168 N 0.32 0.61 -0.38 0.00 -0.00 -0.87 -1.80 115.15 113.02 2aqb h HIS 168 Ca 0.00 -0.09 0.04 0.00 -0.00 0.00 0.00 60.37 60.32 2aqb h HIS 168 Cb 1.02 -0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 28.23 2aqb h HIS 168 CO 0.09 0.66 0.17 0.00 -0.00 0.00 0.00 177.93 178.85 2aqb h ILE 170 N 0.35 1.15 -0.51 0.00 2.04 -1.21 -1.91 117.51 117.42 2aqb h ILE 170 Ca 0.17 -0.42 -0.06 0.00 1.00 0.00 0.00 64.86 65.55 2aqb h ILE 170 Cb 0.11 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 2aqb h ILE 170 CO -0.14 0.15 0.05 1.23 0.00 0.00 0.00 178.15 179.45 2aqb h GLY 171 N 0.40 0.88 1.58 5.37 0.00 -1.06 -0.86 103.07 109.38 2aqb h GLY 171 Ca 0.11 -0.55 -0.10 0.00 0.00 0.00 0.00 47.33 46.79 2aqb h GLY 171 CO -0.02 0.51 -0.29 -0.57 0.00 0.00 0.00 176.54 176.18 2aqb h ASN 172 N 0.77 0.49 -0.66 0.19 -1.24 -0.84 -1.80 115.58 112.49 2aqb h ASN 172 Ca 0.16 -0.17 -0.02 0.00 0.71 0.00 0.00 56.30 56.97 2aqb h ASN 172 Cb 0.39 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.28 2aqb h ASN 172 CO 0.01 0.76 0.33 0.00 -1.29 0.00 0.00 177.43 177.24 2aqb h ALA 173 N 1.28 0.85 -0.36 1.57 0.00 -0.86 -1.52 119.26 120.22 2aqb h ALA 173 Ca 0.06 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2aqb h ALA 173 Cb 0.71 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2aqb h ALA 173 CO 0.05 0.40 0.16 0.28 0.00 0.00 0.00 179.25 180.14 2aqb h VAL 174 N 0.91 0.95 -0.69 0.00 2.07 -0.87 -2.52 116.25 116.09 2aqb h VAL 174 Ca 0.23 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.67 2aqb h VAL 174 Cb 0.10 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 2aqb h VAL 174 CO -0.03 0.06 0.46 -0.33 0.02 0.00 0.00 177.57 177.75 2aqb h GLU 175 N 0.33 0.80 -0.72 1.57 5.08 -1.07 -0.33 114.58 120.24 2aqb h GLU 175 Ca 0.16 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2aqb h GLU 175 Cb 0.09 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 2aqb h GLU 175 CO -0.13 0.53 0.43 1.96 -1.00 0.00 0.00 179.01 180.80 2aqb h GLN 176 N 0.82 0.98 -0.02 2.33 1.08 -0.86 -0.75 115.11 118.69 2aqb h GLN 176 Ca 0.28 -0.09 -0.00 0.00 -1.45 0.00 0.00 58.65 57.38 2aqb h GLN 176 Cb 0.08 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 27.30 2aqb h GLN 176 CO -0.08 0.70 -0.00 0.82 -0.95 0.00 0.00 178.83 179.32 2aqb h ILE 177 N 0.98 1.26 -0.57 2.54 5.03 -1.14 -1.86 117.51 123.76 2aqb h ILE 177 Ca 0.26 -0.78 0.07 0.00 -0.12 0.00 0.00 64.86 64.29 2aqb h ILE 177 Cb -0.03 1.75 -0.03 0.00 -3.03 0.00 0.00 36.82 35.47 2aqb h ILE 177 CO -0.05 0.21 0.38 1.56 -0.68 0.00 0.00 178.15 179.57 2aqb h GLN 178 N -0.28 0.47 -0.00 2.37 4.20 -0.87 -0.10 115.11 120.90 2aqb h GLN 178 Ca 0.01 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2aqb h GLN 178 Cb 0.34 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2aqb h GLN 178 CO 0.00 0.31 -0.04 1.28 -0.67 0.00 0.00 178.83 179.71 2aqb n LEU 179 N -4.47 0.25 -0.23 1.46 4.77 -0.31 -3.48 117.00 114.99 2aqb n LEU 179 Ca 0.08 0.07 -0.03 0.00 -0.03 0.00 0.00 56.01 56.10 2aqb n LEU 179 Cb 0.28 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 2aqb n LEU 179 CO 0.34 0.04 -0.03 0.61 -1.33 0.00 0.00 177.39 177.03 2aqb n GLY 180 N 1.20 0.57 0.06 -0.72 0.00 -0.05 -4.91 105.19 101.34 2aqb n GLY 180 Ca 0.17 -0.26 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 2aqb n GLY 180 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aqb h LYS 181 N 0.39 0.00 -4.61 1.61 1.57 -1.55 -3.47 116.57 110.51 2aqb h LYS 181 Ca -0.06 -0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.41 2aqb h LYS 181 Cb 0.43 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.51 2aqb h LYS 181 CO 0.09 0.94 -0.74 -0.65 -0.57 0.00 0.00 179.45 178.51 2aqb s GLN 182 N -2.70 0.55 -0.11 3.15 -1.52 -1.12 -4.79 119.66 113.13 2aqb s GLN 182 Ca 0.00 -0.65 -0.08 0.00 -1.95 0.00 0.00 55.36 52.68 2aqb s GLN 182 Cb 0.10 -0.39 -0.27 0.00 -0.22 0.00 0.00 33.01 32.23 2aqb s GLN 182 CO 0.82 0.08 0.41 -0.44 -0.25 0.00 0.00 175.29 175.91 2aqb h ASP 183 N 4.83 0.43 -3.75 5.90 3.32 -0.81 -3.37 116.42 122.96 2aqb h ASP 183 Ca -0.35 -0.93 -0.45 0.00 0.02 0.00 0.00 57.03 55.32 2aqb h ASP 183 Cb 1.20 -0.14 -0.31 0.00 0.22 0.00 0.00 39.33 40.29 2aqb h ASP 183 CO 0.43 1.83 -0.80 -0.63 -1.72 0.00 0.00 179.24 178.35 2aqb s ILE 184 N -2.55 0.88 -0.08 0.35 1.01 -1.08 -0.57 121.20 119.15 2aqb s ILE 184 Ca -0.22 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.04 2aqb s ILE 184 Cb 0.06 -0.79 0.02 0.00 0.01 0.00 0.00 42.46 41.76 2aqb s ILE 184 CO 0.77 0.28 -0.09 -0.69 0.00 0.00 0.00 174.94 175.21 2aqb s VAL 185 N 0.29 0.97 -0.19 2.92 1.01 0.87 -0.67 120.40 125.61 2aqb s VAL 185 Ca -0.05 -0.32 -0.29 0.00 0.00 0.00 0.00 61.98 61.31 2aqb s VAL 185 Cb -0.10 -0.95 -0.00 0.00 0.00 0.00 0.00 36.38 35.32 2aqb s VAL 185 CO 0.01 0.34 1.09 -0.36 0.00 0.00 0.00 175.10 176.18 2aqb s PHE 186 N 1.19 3.26 -0.01 5.22 0.40 -0.34 -0.66 117.98 127.04 2aqb s PHE 186 Ca -0.05 1.38 0.05 0.00 -0.60 0.00 0.00 56.93 57.71 2aqb s PHE 186 Cb -0.14 -3.31 -0.01 0.00 0.51 0.00 0.00 43.02 40.07 2aqb s PHE 186 CO -0.02 -0.73 -0.16 0.00 0.70 0.00 0.00 175.22 175.01 2aqb s ALA 187 N 3.02 1.34 0.00 5.36 0.00 -0.07 -1.06 121.76 130.34 2aqb s ALA 187 Ca 0.47 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.75 2aqb s ALA 187 Cb -0.17 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.59 2aqb s ALA 187 CO 0.10 0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.59 2aqb n GLY 188 N 2.73 -0.56 0.00 0.00 0.00 -1.03 -0.67 105.19 105.67 2aqb n GLY 188 Ca -0.15 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2aqb n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqb n GLY 189 N 0.00 -1.52 3.65 -0.02 0.00 -0.48 -2.53 105.19 104.30 2aqb n GLY 189 Ca 0.00 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 44.73 2aqb n GLY 189 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2aqb s GLY 190 N 0.00 -0.26 -0.18 -0.02 0.00 -1.00 -1.18 107.32 104.68 2aqb s GLY 190 Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 44.72 44.59 2aqb s GLY 190 CO 0.00 -0.04 0.43 1.85 0.00 0.00 0.00 173.10 175.34 2aqb s GLU 191 N -3.86 0.41 0.78 2.90 2.56 0.16 -4.02 118.70 117.62 2aqb s GLU 191 Ca 0.07 0.83 -0.11 0.00 0.00 0.00 0.00 54.97 55.76 2aqb s GLU 191 Cb -0.03 0.00 0.06 0.00 2.00 0.00 0.00 34.13 36.16 2aqb s GLU 191 CO -0.01 -0.16 1.09 -1.83 -0.56 0.00 0.00 175.26 173.79 2aqb s GLU 192 N 1.48 2.27 -0.11 4.30 -1.05 -1.26 -1.41 118.70 122.91 2aqb s GLU 192 Ca -0.09 0.65 0.01 0.00 -0.15 0.00 0.00 54.97 55.38 2aqb s GLU 192 Cb -0.08 -1.94 0.02 0.00 -0.44 0.00 0.00 34.13 31.69 2aqb s GLU 192 CO -0.13 -1.49 -0.11 -1.17 0.95 0.00 0.00 175.26 173.30 2aqb s LEU 193 N -5.70 1.49 -0.10 1.83 2.96 -1.26 -4.64 118.68 113.25 2aqb s LEU 193 Ca 0.60 -0.37 -0.30 0.00 -0.22 0.00 0.00 54.13 53.84 2aqb s LEU 193 Cb -0.14 -0.97 0.11 0.00 0.50 0.00 0.00 46.19 45.69 2aqb s LEU 193 CO 0.54 -0.05 0.92 0.00 -1.32 0.00 0.00 176.35 176.44 2aqb h TRP 195 N 2.45 0.75 -0.84 0.00 5.08 -1.97 -1.30 115.95 120.11 2aqb h TRP 195 Ca -0.21 -0.07 0.19 0.00 1.08 0.00 0.00 58.89 59.89 2aqb h TRP 195 Cb 1.18 -0.22 -0.12 0.00 -3.00 0.00 0.00 29.16 27.01 2aqb h TRP 195 CO 0.29 0.65 0.32 0.93 -1.28 0.00 0.00 178.44 179.36 2aqb h GLU 196 N 0.70 0.36 0.07 0.12 3.07 -1.96 -0.36 114.58 116.58 2aqb h GLU 196 Ca 0.15 -0.02 -0.27 0.00 -0.50 0.00 0.00 59.36 58.72 2aqb h GLU 196 Cb 0.31 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 2aqb h GLU 196 CO 0.00 0.24 -1.46 1.98 -1.40 0.00 0.00 179.01 178.37 2aqb h MET 197 N 0.38 0.15 -0.16 2.33 4.05 -1.90 -3.40 114.93 116.37 2aqb h MET 197 Ca 0.50 -0.26 -0.01 0.00 -0.28 0.00 0.00 59.70 59.65 2aqb h MET 197 Cb 0.90 0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.79 2aqb h MET 197 CO -0.51 1.12 0.03 0.00 0.23 0.00 0.00 176.91 177.79 2aqb h ALA 198 N -0.18 1.76 0.00 0.39 0.00 -0.88 -1.71 119.26 118.64 2aqb h ALA 198 Ca -0.34 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 2aqb h ALA 198 Cb 1.64 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 2aqb h ALA 198 CO -0.04 0.19 -0.13 0.00 0.00 0.00 0.00 179.25 179.27 2aqb h GLU 200 N 0.00 1.04 0.00 0.00 5.08 -1.53 -0.88 114.58 118.29 2aqb h GLU 200 Ca -0.00 -0.27 -0.19 0.00 -1.00 0.00 0.00 59.36 57.91 2aqb h GLU 200 Cb 0.27 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2aqb h GLU 200 CO 0.02 0.95 -0.85 0.74 -1.00 0.00 0.00 179.01 178.87 2aqb h PHE 201 N 0.97 0.16 -0.30 4.33 -1.00 -1.42 -3.15 116.94 116.54 2aqb h PHE 201 Ca 0.20 -0.09 -0.08 0.00 2.81 0.00 0.00 57.97 60.80 2aqb h PHE 201 Cb 0.42 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.95 2aqb h PHE 201 CO 0.03 0.90 -0.14 0.22 -1.61 0.00 0.00 178.31 177.71 2aqb h ASP 202 N 0.06 0.64 0.40 2.17 1.82 -1.22 -0.02 116.42 120.27 2aqb h ASP 202 Ca -0.03 -0.40 0.00 0.00 -0.39 0.00 0.00 57.03 56.21 2aqb h ASP 202 Cb 1.48 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 41.31 2aqb h ASP 202 CO 0.12 0.90 0.00 0.00 -1.61 0.00 0.00 179.24 178.65 2aqb h ALA 203 N 0.76 1.00 -0.30 -0.78 0.00 -1.19 0.26 119.26 119.01 2aqb h ALA 203 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2aqb h ALA 203 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2aqb h ALA 203 CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.29 2aqb n MET 204 N -2.92 2.28 -1.20 0.00 0.00 -1.16 -4.96 117.12 109.15 2aqb n MET 204 Ca -0.01 -1.92 -0.07 0.00 0.00 0.00 0.00 57.70 55.69 2aqb n MET 204 Cb 0.16 -1.48 -0.03 0.00 0.00 0.00 0.00 33.22 31.87 2aqb n MET 204 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2aqb n GLY 205 N 1.39 0.92 0.17 3.17 0.00 0.92 -4.93 105.19 106.82 2aqb n GLY 205 Ca 0.18 -0.72 0.12 0.00 0.00 0.00 0.00 46.02 45.61 2aqb n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aqb h ALA 206 N 0.00 0.99 -3.00 4.61 0.00 -1.18 -3.47 119.26 117.21 2aqb h ALA 206 Ca -0.14 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.13 2aqb h ALA 206 Cb 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 2aqb h ALA 206 CO 0.21 0.00 -0.54 -0.51 0.00 0.00 0.00 179.25 178.41 2aqb s LEU 207 N -5.49 4.13 0.33 0.00 1.43 -1.25 -1.30 118.68 116.54 2aqb s LEU 207 Ca 0.08 0.19 -0.29 0.00 -1.03 0.00 0.00 54.13 53.08 2aqb s LEU 207 Cb 0.08 -2.65 -0.11 0.00 0.03 0.00 0.00 46.19 43.54 2aqb s LEU 207 CO 0.64 0.21 1.53 -0.55 0.23 0.00 0.00 176.35 178.41 2aqb s SER 208 N -2.23 6.38 0.00 2.29 0.15 -0.53 -4.60 113.70 115.16 2aqb s SER 208 Ca 0.30 2.98 0.00 0.00 0.70 0.00 0.00 55.95 59.93 2aqb s SER 208 Cb -0.13 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 2aqb s SER 208 CO 0.22 -0.88 0.00 0.35 1.20 0.00 0.00 173.24 174.13 2aqb n THR 209 N 1.35 0.00 0.80 6.45 -2.24 -1.26 -4.21 114.28 115.16 2aqb n THR 209 Ca 0.05 -0.06 0.12 0.00 -2.27 0.00 0.00 64.05 61.89 2aqb n THR 209 Cb 0.38 0.46 0.19 0.00 -2.10 0.00 0.00 70.33 69.26 2aqb n THR 209 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2aqb n LYS 210 N -0.41 0.14 -0.62 -0.78 5.02 -1.26 -4.31 118.16 115.94 2aqb n LYS 210 Ca 0.00 0.03 0.02 0.00 -2.02 0.00 0.00 58.31 56.34 2aqb n LYS 210 Cb 0.00 -1.57 0.20 0.00 -0.02 0.00 0.00 35.03 33.64 2aqb n LYS 210 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2aqb n TYR 211 N -1.77 0.59 0.26 2.13 4.02 -1.26 -4.76 117.16 116.37 2aqb n TYR 211 Ca 0.04 -1.43 0.13 0.00 -0.01 0.00 0.00 57.90 56.63 2aqb n TYR 211 Cb 0.38 -0.36 0.73 0.00 -0.02 0.00 0.00 39.34 40.08 2aqb n TYR 211 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 2aqb h ASN 212 N 0.96 0.00 1.90 7.72 2.35 -1.94 -1.97 115.58 124.60 2aqb h ASN 212 Ca 0.10 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 2aqb h ASN 212 Cb 1.35 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.71 2aqb h ASN 212 CO 0.20 0.11 -0.10 0.44 -1.65 0.00 0.00 177.43 176.43 2aqb h ASP 213 N 0.00 0.00 -2.61 5.81 3.32 -1.95 -3.36 116.42 117.63 2aqb h ASP 213 Ca -0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 2aqb h ASP 213 Cb 0.33 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.47 2aqb h ASP 213 CO 0.01 0.06 -0.71 0.35 -1.72 0.00 0.00 179.24 177.24 2aqb n THR 214 N -3.10 1.00 -0.09 0.35 -2.24 -0.74 -5.01 114.28 104.44 2aqb n THR 214 Ca 0.04 -4.58 0.13 0.00 -2.27 0.00 0.00 64.05 57.37 2aqb n THR 214 Cb 0.56 -2.04 0.51 0.00 -2.10 0.00 0.00 70.33 67.26 2aqb n THR 214 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2aqb h PRO 215 N 5.00 0.38 0.00 -0.78 0.11 -1.72 -1.14 132.00 133.85 2aqb h PRO 215 Ca 0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2aqb h PRO 215 Cb 0.77 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.80 2aqb h PRO 215 CO 0.65 0.25 0.00 0.39 -0.21 0.00 0.00 178.00 179.08 2aqb n GLU 216 N -4.47 0.46 0.00 1.05 1.02 -1.26 -3.04 120.64 114.41 2aqb n GLU 216 Ca 0.11 0.04 0.04 0.00 -0.02 0.00 0.00 57.16 57.32 2aqb n GLU 216 Cb 0.41 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.32 2aqb n GLU 216 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2aqb n LYS 217 N -1.22 2.70 -0.14 3.49 5.02 -0.43 -4.65 118.16 122.92 2aqb n LYS 217 Ca 0.14 -0.42 -0.08 0.00 -2.02 0.00 0.00 58.31 55.93 2aqb n LYS 217 Cb 0.18 -1.00 0.01 0.00 -0.02 0.00 0.00 35.03 34.19 2aqb n LYS 217 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2aqb h ALA 218 N 1.40 0.55 -2.07 7.82 0.00 -1.51 -3.38 119.26 122.07 2aqb h ALA 218 Ca 0.00 -0.04 -0.62 0.00 0.00 0.00 0.00 54.91 54.25 2aqb h ALA 218 Cb 0.27 -0.18 -0.12 0.00 0.00 0.00 0.00 17.79 17.76 2aqb h ALA 218 CO 0.00 0.02 0.37 0.45 0.00 0.00 0.00 179.25 180.09 2aqb s SER 219 N -5.62 6.44 -0.36 0.00 0.15 -1.26 -4.75 113.70 108.30 2aqb s SER 219 Ca -0.13 -0.01 0.14 0.00 0.70 0.00 0.00 55.95 56.65 2aqb s SER 219 Cb 0.11 -2.39 0.40 0.00 -1.71 0.00 0.00 66.02 62.43 2aqb s SER 219 CO 0.73 -0.89 0.91 -2.11 1.20 0.00 0.00 173.24 173.08 2aqb n ARG 220 N 6.69 1.06 -1.57 5.44 1.85 -1.26 -4.58 116.66 124.29 2aqb n ARG 220 Ca 0.03 -3.06 -0.49 0.00 -1.00 0.00 0.00 57.85 53.32 2aqb n ARG 220 Cb 0.48 -1.31 -0.04 0.00 -1.05 0.00 0.00 32.46 30.54 2aqb n ARG 220 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2aqb n THR 221 N 0.07 0.86 0.00 8.89 -1.04 -1.26 -1.18 114.28 120.62 2aqb n THR 221 Ca 0.14 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 2aqb n THR 221 Cb 0.75 -0.78 0.00 0.00 -1.82 0.00 0.00 70.33 68.48 2aqb n THR 221 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2aqb n TYR 222 N 1.48 0.00 -2.27 -1.42 0.53 -1.26 -4.72 117.16 109.50 2aqb n TYR 222 Ca 0.15 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.62 2aqb n TYR 222 Cb 0.24 -0.16 -0.03 0.00 -1.03 0.00 0.00 39.34 38.36 2aqb n TYR 222 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 2aqb s ASP 223 N -3.04 6.97 0.20 7.72 2.15 -0.33 -1.02 116.67 129.32 2aqb s ASP 223 Ca 0.00 2.39 0.16 0.00 0.43 0.00 0.00 52.55 55.53 2aqb s ASP 223 Cb 0.00 -2.62 0.80 0.00 -0.30 0.00 0.00 42.92 40.80 2aqb s ASP 223 CO 0.00 -0.44 1.49 0.00 -0.17 0.00 0.00 175.17 176.04 2aqb n ALA 224 N 2.15 1.20 -0.70 3.66 0.00 -0.13 -1.93 120.51 124.75 2aqb n ALA 224 Ca 0.04 0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.66 2aqb n ALA 224 Cb 0.43 -1.24 0.21 0.00 0.00 0.00 0.00 19.45 18.85 2aqb n ALA 224 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2aqb n HIS 225 N -2.00 0.68 -1.71 0.00 8.25 -1.26 -5.02 115.22 114.17 2aqb n HIS 225 Ca -0.00 -0.75 -0.37 0.00 -0.26 0.00 0.00 57.72 56.33 2aqb n HIS 225 Cb 0.07 -0.20 0.06 0.00 1.12 0.00 0.00 29.99 31.04 2aqb n HIS 225 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 2aqb n ARG 226 N -0.27 1.13 -1.91 -0.41 1.85 -0.81 -4.98 116.66 111.26 2aqb n ARG 226 Ca 0.17 0.44 0.02 0.00 -1.00 0.00 0.00 57.85 57.48 2aqb n ARG 226 Cb 0.70 -2.46 0.03 0.00 -1.05 0.00 0.00 32.46 29.68 2aqb n ARG 226 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2aqb n ASP 227 N -1.56 1.05 0.00 2.89 5.75 -1.25 -4.66 116.55 118.76 2aqb n ASP 227 Ca 0.15 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.92 2aqb n ASP 227 Cb 0.47 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 2aqb n ASP 227 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2aqb n GLY 228 N 0.11 2.64 3.87 6.12 0.00 -0.84 -3.48 105.19 113.60 2aqb n GLY 228 Ca 0.04 -2.05 -0.31 0.00 0.00 0.00 0.00 46.02 43.70 2aqb n GLY 228 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2aqb s PHE 229 N -2.43 3.47 -0.25 1.61 -0.12 -0.42 -3.41 117.98 116.44 2aqb s PHE 229 Ca 0.00 1.22 -0.10 0.00 -0.05 0.00 0.00 56.93 58.00 2aqb s PHE 229 Cb 0.00 -2.85 -0.04 0.00 -0.63 0.00 0.00 43.02 39.49 2aqb s PHE 229 CO 0.00 -0.92 0.14 0.08 -0.05 0.00 0.00 175.22 174.47 2aqb s VAL 230 N -3.23 5.05 0.25 -2.49 1.01 -1.26 -1.45 120.40 118.27 2aqb s VAL 230 Ca 0.56 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 62.32 2aqb s VAL 230 Cb -0.11 -3.36 -0.09 0.00 0.00 0.00 0.00 36.38 32.81 2aqb s VAL 230 CO 0.53 0.33 1.15 -0.51 0.00 0.00 0.00 175.10 176.60 2aqb s ILE 231 N 1.31 3.47 0.22 2.22 -1.16 -1.26 0.94 121.20 126.94 2aqb s ILE 231 Ca 0.06 1.39 0.02 0.00 -0.51 0.00 0.00 60.65 61.61 2aqb s ILE 231 Cb -0.14 -3.88 -0.05 0.00 0.61 0.00 0.00 42.46 38.99 2aqb s ILE 231 CO 0.06 0.29 0.04 0.00 -2.81 0.00 0.00 174.94 172.52 2aqb s ALA 232 N -0.76 1.61 0.26 1.50 0.00 0.36 -0.64 121.76 124.08 2aqb s ALA 232 Ca 0.48 -1.75 0.02 0.00 0.00 0.00 0.00 51.96 50.71 2aqb s ALA 232 Cb -0.33 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 23.49 2aqb s ALA 232 CO 0.40 -0.37 0.06 0.20 0.00 0.00 0.00 175.76 176.06 2aqb s GLY 233 N -3.26 1.72 0.00 0.00 0.00 -0.73 -4.25 107.32 100.80 2aqb s GLY 233 Ca 0.31 -1.86 0.00 0.00 0.00 0.00 0.00 44.72 43.17 2aqb s GLY 233 CO 0.09 -1.64 0.00 0.61 0.00 0.00 0.00 173.10 172.16 2aqb n GLY 234 N -0.48 0.78 3.31 0.20 0.00 -0.50 -4.39 105.19 104.11 2aqb n GLY 234 Ca -0.02 -1.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.06 2aqb n GLY 234 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2aqb s GLY 235 N 0.00 0.64 -0.02 -0.02 0.00 -0.03 -0.67 107.32 107.22 2aqb s GLY 235 Ca 0.00 -1.05 -0.25 0.00 0.00 0.00 0.00 44.72 43.42 2aqb s GLY 235 CO 0.00 -0.96 0.55 -0.32 0.00 0.00 0.00 173.10 172.37 2aqb s GLY 236 N -3.00 -0.43 -0.17 0.20 0.00 -0.33 -1.78 107.32 101.81 2aqb s GLY 236 Ca 0.20 0.90 -0.11 0.00 0.00 0.00 0.00 44.72 45.72 2aqb s GLY 236 CO 0.02 0.60 0.43 -0.29 0.00 0.00 0.00 173.10 173.85 2aqb s MET 237 N -1.46 0.43 0.17 2.90 1.75 -0.38 -1.38 119.30 121.32 2aqb s MET 237 Ca -0.11 0.78 0.11 0.00 -1.25 0.00 0.00 55.69 55.22 2aqb s MET 237 Cb -0.02 0.03 -0.04 0.00 2.84 0.00 0.00 34.83 37.65 2aqb s MET 237 CO 0.06 -0.14 -0.24 0.14 -0.65 0.00 0.00 175.02 174.19 2aqb s VAL 238 N 1.19 2.38 -0.45 10.11 -7.23 0.16 -0.93 120.40 125.64 2aqb s VAL 238 Ca -0.08 -1.89 -0.17 0.00 -1.81 0.00 0.00 61.98 58.03 2aqb s VAL 238 Cb -0.07 -2.11 0.04 0.00 0.56 0.00 0.00 36.38 34.80 2aqb s VAL 238 CO -0.11 -0.03 0.47 -0.69 -0.31 0.00 0.00 175.10 174.43 2aqb s VAL 239 N -1.42 5.07 -0.20 1.32 1.01 -0.72 -0.89 120.40 124.57 2aqb s VAL 239 Ca 0.18 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 61.47 2aqb s VAL 239 Cb -0.09 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 2aqb s VAL 239 CO 0.09 -0.53 0.48 -0.69 0.00 0.00 0.00 175.10 174.44 2aqb s VAL 240 N 2.14 5.14 0.00 2.92 1.01 0.16 -1.88 120.40 129.90 2aqb s VAL 240 Ca 0.11 0.87 0.01 0.00 0.00 0.00 0.00 61.98 62.97 2aqb s VAL 240 Cb -0.19 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 2aqb s VAL 240 CO 0.12 0.20 -0.04 -0.70 0.00 0.00 0.00 175.10 174.67 2aqb s GLU 241 N 1.54 0.34 0.36 2.72 2.12 -0.25 -0.09 118.70 125.46 2aqb s GLU 241 Ca 0.22 -0.25 -0.28 0.00 0.36 0.00 0.00 54.97 55.03 2aqb s GLU 241 Cb -0.15 -0.28 -0.10 0.00 0.26 0.00 0.00 34.13 33.85 2aqb s GLU 241 CO 0.09 0.07 1.39 -2.00 -0.54 0.00 0.00 175.26 174.28 2aqb s GLU 242 N -0.36 4.18 0.09 4.30 -6.30 0.26 -0.90 118.70 119.97 2aqb s GLU 242 Ca -0.01 2.38 -0.23 0.00 -2.50 0.00 0.00 54.97 54.61 2aqb s GLU 242 Cb -0.03 -2.98 -0.14 0.00 0.00 0.00 0.00 34.13 30.98 2aqb s GLU 242 CO -0.00 -0.40 1.73 1.25 0.02 0.00 0.00 175.26 177.86 2aqb h LEU 243 N 3.10 -0.08 -0.65 2.70 5.85 -1.64 -1.36 115.31 123.23 2aqb h LEU 243 Ca -0.50 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.17 2aqb h LEU 243 Cb 1.24 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 2aqb h LEU 243 CO 0.64 -0.05 0.17 -0.33 -0.34 0.00 0.00 178.44 178.54 2aqb h GLU 244 N -0.07 1.03 -0.74 1.25 4.39 -1.92 -1.01 114.58 117.51 2aqb h GLU 244 Ca 0.00 -0.24 0.06 0.00 0.34 0.00 0.00 59.36 59.52 2aqb h GLU 244 Cb 0.07 -0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 28.52 2aqb h GLU 244 CO -0.01 0.92 0.44 1.25 -1.16 0.00 0.00 179.01 180.45 2aqb h HIS 245 N 0.96 0.81 -0.33 4.33 2.76 -1.90 -0.41 115.15 121.36 2aqb h HIS 245 Ca 0.21 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.35 2aqb h HIS 245 Cb 0.34 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 2aqb h HIS 245 CO 0.03 0.41 -0.00 0.00 -1.30 0.00 0.00 177.93 177.06 2aqb h ALA 246 N 1.36 0.44 -0.38 5.26 0.00 -0.82 -3.05 119.26 122.06 2aqb h ALA 246 Ca 0.32 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2aqb h ALA 246 Cb 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2aqb h ALA 246 CO -0.17 0.20 -0.10 -0.07 0.00 0.00 0.00 179.25 179.11 2aqb h LEU 247 N 0.38 0.75 -2.24 0.00 3.38 -0.97 -1.01 115.31 115.60 2aqb h LEU 247 Ca 0.09 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.71 2aqb h LEU 247 Cb 0.45 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2aqb h LEU 247 CO 0.02 0.95 0.06 0.00 0.09 0.00 0.00 178.44 179.55 2aqb h ALA 248 N 0.83 1.79 -0.42 1.53 0.00 -1.11 -1.91 119.26 119.98 2aqb h ALA 248 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2aqb h ALA 248 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2aqb h ALA 248 CO 0.04 -0.09 0.00 2.89 0.00 0.00 0.00 179.25 182.09 2aqb n ARG 249 N -4.10 2.50 -2.93 0.00 1.85 -1.15 -4.97 116.66 107.86 2aqb n ARG 249 Ca -0.01 -2.31 -0.18 0.00 -1.00 0.00 0.00 57.85 54.34 2aqb n ARG 249 Cb 0.16 -1.51 0.03 0.00 -1.05 0.00 0.00 32.46 30.10 2aqb n ARG 249 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2aqb n GLY 250 N 1.47 -0.29 3.75 2.89 0.00 -0.72 -4.98 105.19 107.31 2aqb n GLY 250 Ca 0.19 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 2aqb n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aqb s ALA 251 N -3.08 2.50 -0.14 4.61 0.00 -0.40 -4.99 121.76 120.26 2aqb s ALA 251 Ca 0.27 1.01 -0.28 0.00 0.00 0.00 0.00 51.96 52.97 2aqb s ALA 251 Cb -0.12 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 2aqb s ALA 251 CO 0.34 -1.25 0.93 -1.58 0.00 0.00 0.00 175.76 174.19 2aqb s HIS 252 N -1.62 3.47 -0.28 0.00 5.65 -1.26 -4.88 115.29 116.37 2aqb s HIS 252 Ca 0.78 1.44 -0.05 0.00 0.25 0.00 0.00 55.06 57.48 2aqb s HIS 252 Cb -0.31 -3.11 0.02 0.00 -1.18 0.00 0.00 32.58 28.00 2aqb s HIS 252 CO 0.35 -0.24 0.02 0.42 -0.65 0.00 0.00 174.74 174.64 2aqb s ILE 253 N 2.10 3.49 0.01 0.89 1.01 -1.26 -4.27 121.20 123.17 2aqb s ILE 253 Ca 0.44 -0.87 -0.23 0.00 0.00 0.00 0.00 60.65 59.99 2aqb s ILE 253 Cb -0.17 -2.81 -0.17 0.00 0.01 0.00 0.00 42.46 39.32 2aqb s ILE 253 CO 0.15 0.11 1.31 1.88 0.00 0.00 0.00 174.94 178.39 2aqb h TYR 254 N 8.14 0.21 -2.11 3.97 0.05 -1.55 -3.47 116.97 122.21 2aqb h TYR 254 Ca -0.31 -0.06 0.18 0.00 0.05 0.00 0.00 58.73 58.59 2aqb h TYR 254 Cb 1.11 -0.04 -0.12 0.00 1.01 0.00 0.00 36.73 38.69 2aqb h TYR 254 CO 0.60 0.61 0.57 0.00 -1.05 0.00 0.00 178.16 178.89 2aqb s ALA 255 N -4.30 -1.84 -0.06 3.88 0.00 -1.25 -4.61 121.76 113.58 2aqb s ALA 255 Ca -0.15 0.65 -0.10 0.00 0.00 0.00 0.00 51.96 52.35 2aqb s ALA 255 Cb 0.03 0.45 -0.05 0.00 0.00 0.00 0.00 23.12 23.56 2aqb s ALA 255 CO 0.71 -0.88 0.26 -2.00 0.00 0.00 0.00 175.76 173.85 2aqb s GLU 256 N -3.02 3.65 -0.68 0.00 2.12 0.16 -0.70 118.70 120.23 2aqb s GLU 256 Ca 0.10 0.11 -0.25 0.00 0.36 0.00 0.00 54.97 55.29 2aqb s GLU 256 Cb -0.00 -3.20 0.05 0.00 0.26 0.00 0.00 34.13 31.24 2aqb s GLU 256 CO -0.03 0.73 1.12 0.42 -0.54 0.00 0.00 175.26 176.96 2aqb s ILE 257 N -1.07 4.03 -0.77 -3.70 -1.09 -0.34 -0.73 121.20 117.54 2aqb s ILE 257 Ca 0.19 0.12 0.22 0.00 -2.23 0.00 0.00 60.65 58.96 2aqb s ILE 257 Cb -0.14 -4.78 -0.17 0.00 -1.58 0.00 0.00 42.46 35.79 2aqb s ILE 257 CO 0.09 -1.61 0.97 1.33 -1.23 0.00 0.00 174.94 174.49 2aqb n VAL 258 N 6.20 0.05 -3.76 2.92 0.24 -0.29 -4.61 118.33 119.09 2aqb n VAL 258 Ca 0.00 -0.13 -0.13 0.00 -2.04 0.00 0.00 64.34 62.05 2aqb n VAL 258 Cb 0.47 0.52 -0.11 0.00 -1.47 0.00 0.00 33.84 33.25 2aqb n VAL 258 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2aqb s GLY 259 N -3.38 -0.22 -0.12 7.63 0.00 -1.02 -4.82 107.32 105.39 2aqb s GLY 259 Ca 0.05 0.94 -0.03 0.00 0.00 0.00 0.00 44.72 45.69 2aqb s GLY 259 CO 0.83 0.91 0.04 -0.47 0.00 0.00 0.00 173.10 174.41 2aqb s TYR 260 N 0.46 0.53 -0.11 1.90 5.04 -1.26 -1.34 117.35 122.57 2aqb s TYR 260 Ca -0.02 -0.28 -0.05 0.00 -2.44 0.00 0.00 57.07 54.28 2aqb s TYR 260 Cb -0.04 -0.77 -0.04 0.00 0.35 0.00 0.00 41.96 41.47 2aqb s TYR 260 CO -0.02 -0.41 0.08 0.20 -1.34 0.00 0.00 175.55 174.06 2aqb s GLY 261 N 2.02 2.01 -0.19 8.97 0.00 0.34 -4.38 107.32 116.10 2aqb s GLY 261 Ca 0.03 -0.72 -0.04 0.00 0.00 0.00 0.00 44.72 43.99 2aqb s GLY 261 CO -0.06 -0.41 0.27 0.00 0.00 0.00 0.00 173.10 172.89 2aqb s ALA 262 N -0.83 -0.52 0.31 3.20 0.00 -1.26 -1.46 121.76 121.20 2aqb s ALA 262 Ca 0.13 0.57 0.05 0.00 0.00 0.00 0.00 51.96 52.72 2aqb s ALA 262 Cb -0.12 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 2aqb s ALA 262 CO 0.03 -1.07 0.23 0.95 0.00 0.00 0.00 175.76 175.90 2aqb s THR 263 N 2.40 0.06 0.00 0.00 -4.23 -0.59 -5.00 115.64 108.28 2aqb s THR 263 Ca 0.07 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.60 2aqb s THR 263 Cb -0.15 -2.49 -0.01 0.00 1.34 0.00 0.00 72.50 71.19 2aqb s THR 263 CO -0.12 0.00 -0.07 -0.55 -0.54 0.00 0.00 174.62 173.34 2aqb s SER 264 N -3.34 0.79 0.01 3.99 0.15 -1.26 -1.02 113.70 113.02 2aqb s SER 264 Ca 0.39 -0.18 -0.21 0.00 0.70 0.00 0.00 55.95 56.65 2aqb s SER 264 Cb 0.04 -0.07 -0.19 0.00 -1.71 0.00 0.00 66.02 64.09 2aqb s SER 264 CO 0.23 0.04 1.20 0.44 1.20 0.00 0.00 173.24 176.36 2aqb h ASP 265 N 5.77 0.42 -5.83 5.45 3.32 -0.93 -3.44 116.42 121.18 2aqb h ASP 265 Ca -0.30 -0.63 -0.38 0.00 0.02 0.00 0.00 57.03 55.74 2aqb h ASP 265 Cb 1.19 -0.12 0.13 0.00 0.22 0.00 0.00 39.33 40.74 2aqb h ASP 265 CO 0.49 0.98 -0.74 0.61 -1.72 0.00 0.00 179.24 178.85 2aqb n GLY 266 N 0.65 -0.43 0.75 2.75 0.00 -1.26 -4.86 105.19 102.80 2aqb n GLY 266 Ca -0.08 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2aqb n GLY 266 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aqb n ALA 267 N -4.52 2.34 -2.44 4.61 0.00 -1.26 -5.15 120.51 114.10 2aqb n ALA 267 Ca -0.15 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.02 2aqb n ALA 267 Cb 0.62 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.93 2aqb n ALA 267 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2aqb s ASP 268 N -0.86 2.68 0.10 0.00 1.01 -1.26 -5.06 116.67 113.28 2aqb s ASP 268 Ca 0.00 -0.54 -0.16 0.00 0.71 0.00 0.00 52.55 52.57 2aqb s ASP 268 Cb 0.00 -0.23 -0.06 0.00 1.01 0.00 0.00 42.92 43.63 2aqb s ASP 268 CO 0.00 0.19 1.49 0.24 0.21 0.00 0.00 175.17 177.30 2aqb h MET 269 N 4.88 0.64 0.00 8.23 2.86 -2.00 -3.35 114.93 126.19 2aqb h MET 269 Ca -0.44 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 56.94 2aqb h MET 269 Cb 1.15 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.79 2aqb h MET 269 CO 0.44 0.84 -0.03 1.33 1.06 0.00 0.00 176.91 180.55 2aqb n VAL 270 N -4.41 0.77 -4.47 -2.22 0.24 -1.26 -0.36 118.33 106.61 2aqb n VAL 270 Ca -0.03 -0.81 -0.21 0.00 -2.04 0.00 0.00 64.34 61.25 2aqb n VAL 270 Cb 0.35 0.55 -0.15 0.00 -1.47 0.00 0.00 33.84 33.12 2aqb n VAL 270 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2aqb s ALA 271 N -0.88 0.95 0.41 2.33 0.00 -1.26 -5.03 121.76 118.27 2aqb s ALA 271 Ca 0.04 -0.43 -0.23 0.00 0.00 0.00 0.00 51.96 51.33 2aqb s ALA 271 Cb 0.03 -0.30 -0.09 0.00 0.00 0.00 0.00 23.12 22.76 2aqb s ALA 271 CO 0.00 0.19 1.04 -1.25 0.00 0.00 0.00 175.76 175.74 2aqb s PRO 272 N -0.02 4.14 0.15 0.00 0.04 -1.26 -4.34 135.00 133.70 2aqb s PRO 272 Ca 0.00 1.47 0.21 0.00 0.04 0.00 0.00 61.00 62.72 2aqb s PRO 272 Cb -0.07 -2.48 -0.06 0.00 0.04 0.00 0.00 34.50 31.93 2aqb s PRO 272 CO 0.00 -0.16 0.93 -1.13 0.04 0.00 0.00 177.00 176.69 2aqb n SER 273 N -0.19 0.79 0.00 6.66 3.41 -1.26 -5.00 113.62 118.03 2aqb n SER 273 Ca 0.06 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 2aqb n SER 273 Cb 0.50 0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.94 2aqb n SER 273 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aqb n GLY 274 N 1.25 2.31 0.22 5.00 0.00 -1.26 -4.73 105.19 107.97 2aqb n GLY 274 Ca -0.03 -0.43 0.07 0.00 0.00 0.00 0.00 46.02 45.63 2aqb n GLY 274 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2aqb h GLU 275 N 0.00 0.00 -0.49 1.61 -0.00 -1.95 -1.85 114.58 111.90 2aqb h GLU 275 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.32 2aqb h GLU 275 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 28.73 2aqb h GLU 275 CO 0.00 0.27 0.17 0.78 -0.00 0.00 0.00 179.01 180.23 2aqb h GLY 276 N 1.31 0.81 1.03 1.06 0.00 -1.85 -2.45 103.07 102.98 2aqb h GLY 276 Ca -0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 2aqb h GLY 276 CO 0.03 0.44 -0.02 0.00 0.00 0.00 0.00 176.54 176.99 2aqb h ALA 277 N 1.02 0.70 -0.04 3.60 0.00 -1.81 -1.90 119.26 120.83 2aqb h ALA 277 Ca 0.16 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.80 2aqb h ALA 277 Cb 0.24 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2aqb h ALA 277 CO -0.01 0.52 -0.18 0.28 0.00 0.00 0.00 179.25 179.87 2aqb h VAL 278 N 0.79 0.56 -0.80 0.00 2.07 -1.33 -0.82 116.25 116.72 2aqb h VAL 278 Ca 0.14 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.66 2aqb h VAL 278 Cb 0.55 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 2aqb h VAL 278 CO 0.03 0.00 0.49 0.03 0.02 0.00 0.00 177.57 178.14 2aqb h ARG 279 N -0.27 1.07 -0.13 1.57 3.08 -1.39 -2.12 114.38 116.18 2aqb h ARG 279 Ca 0.07 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2aqb h ARG 279 Cb 0.37 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2aqb h ARG 279 CO -0.20 0.74 0.05 0.00 -1.07 0.00 0.00 179.97 179.49 2aqb h MET 281 N 0.06 0.78 -0.94 0.00 2.86 -1.04 -1.91 114.93 114.74 2aqb h MET 281 Ca 0.04 -0.18 0.05 0.00 -2.06 0.00 0.00 59.70 57.56 2aqb h MET 281 Cb 0.17 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.67 2aqb h MET 281 CO -0.00 0.75 0.61 0.87 1.06 0.00 0.00 176.91 180.19 2aqb h LYS 282 N 0.67 1.10 -0.49 1.72 1.57 -1.32 0.20 116.57 120.02 2aqb h LYS 282 Ca 0.16 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2aqb h LYS 282 Cb 0.31 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2aqb h LYS 282 CO -0.00 0.73 0.18 1.98 -0.57 0.00 0.00 179.45 181.77 2aqb h MET 283 N 1.13 0.74 -0.00 3.15 4.05 -0.89 -2.11 114.93 120.99 2aqb h MET 283 Ca 0.40 -0.14 -0.08 0.00 -0.28 0.00 0.00 59.70 59.59 2aqb h MET 283 Cb 0.10 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 2aqb h MET 283 CO -0.15 0.67 -0.40 0.00 0.23 0.00 0.00 176.91 177.26 2aqb h ALA 284 N 1.03 1.34 -0.01 0.39 0.00 -0.85 -2.91 119.26 118.26 2aqb h ALA 284 Ca 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2aqb h ALA 284 Cb 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2aqb h ALA 284 CO -0.01 0.50 -0.11 -1.33 0.00 0.00 0.00 179.25 178.30 2aqb n MET 285 N -4.06 1.01 -2.12 0.00 2.00 0.01 -4.06 117.12 109.90 2aqb n MET 285 Ca -0.02 -0.46 -0.42 0.00 0.00 0.00 0.00 57.70 56.79 2aqb n MET 285 Cb 0.43 -1.49 -0.03 0.00 0.00 0.00 0.00 33.22 32.13 2aqb n MET 285 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 2aqb s HIS 286 N -2.31 2.40 0.00 2.03 2.46 -0.82 -2.35 115.29 116.70 2aqb s HIS 286 Ca 0.32 0.50 0.00 0.00 0.47 0.00 0.00 55.06 56.35 2aqb s HIS 286 Cb 0.20 -3.79 0.00 0.00 -0.13 0.00 0.00 32.58 28.86 2aqb s HIS 286 CO 0.44 -3.14 0.00 0.41 -2.47 0.00 0.00 174.74 169.98 2aqb n GLY 287 N 3.90 2.02 3.59 1.59 0.00 -1.26 -4.96 105.19 110.07 2aqb n GLY 287 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2aqb n GLY 287 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aqb s VAL 288 N -3.35 4.09 -2.06 1.61 1.01 -0.99 -4.90 120.40 115.81 2aqb s VAL 288 Ca 0.00 1.07 0.24 0.00 0.00 0.00 0.00 61.98 63.29 2aqb s VAL 288 Cb 0.00 -4.57 0.65 0.00 0.00 0.00 0.00 36.38 32.45 2aqb s VAL 288 CO 0.00 -1.07 1.87 -0.90 0.00 0.00 0.00 175.10 175.00 2aqb n ASP 289 N 8.23 0.28 -4.57 3.32 5.68 -1.26 -4.79 116.55 123.43 2aqb n ASP 289 Ca 0.12 -1.32 -0.27 0.00 -0.50 0.00 0.00 54.79 52.82 2aqb n ASP 289 Cb 0.49 -0.01 -0.09 0.00 -1.14 0.00 0.00 41.12 40.36 2aqb n ASP 289 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2aqb s THR 290 N -1.98 3.22 0.68 2.12 -4.23 -1.26 -5.13 115.64 109.06 2aqb s THR 290 Ca 0.36 -1.59 -0.13 0.00 -1.18 0.00 0.00 61.69 59.15 2aqb s THR 290 Cb 0.17 -2.58 0.01 0.00 1.34 0.00 0.00 72.50 71.44 2aqb s THR 290 CO 0.28 -0.07 1.08 -2.16 -0.54 0.00 0.00 174.62 173.21 2aqb s PRO 291 N -2.72 2.82 -0.40 3.99 0.04 -1.26 -5.00 135.00 132.47 2aqb s PRO 291 Ca 0.24 1.17 -0.29 0.00 0.04 0.00 0.00 61.00 62.16 2aqb s PRO 291 Cb -0.09 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.50 2aqb s PRO 291 CO 0.15 -1.21 1.10 0.42 0.04 0.00 0.00 177.00 177.50 2aqb s ILE 292 N -2.71 4.36 0.05 0.56 -1.09 -1.26 -4.45 121.20 116.66 2aqb s ILE 292 Ca 0.62 1.45 -0.07 0.00 -2.23 0.00 0.00 60.65 60.42 2aqb s ILE 292 Cb -0.17 -4.51 -0.30 0.00 -1.58 0.00 0.00 42.46 35.90 2aqb s ILE 292 CO 0.48 -0.75 1.05 0.44 -1.23 0.00 0.00 174.94 174.93 2aqb h ASP 293 N 8.68 0.54 -4.01 3.58 3.32 -1.20 -3.39 116.42 123.94 2aqb h ASP 293 Ca -0.22 -0.61 -0.18 0.00 0.02 0.00 0.00 57.03 56.04 2aqb h ASP 293 Cb 1.06 -0.18 -0.25 0.00 0.22 0.00 0.00 39.33 40.18 2aqb h ASP 293 CO 1.08 1.48 -0.54 -0.47 -1.72 0.00 0.00 179.24 179.07 2aqb s TYR 294 N -2.63 -0.12 -0.19 4.55 5.04 -1.20 -2.96 117.35 119.83 2aqb s TYR 294 Ca -0.06 0.29 0.01 0.00 -2.44 0.00 0.00 57.07 54.87 2aqb s TYR 294 Cb 0.06 0.03 0.03 0.00 0.35 0.00 0.00 41.96 42.44 2aqb s TYR 294 CO 0.90 -0.12 -0.14 -1.17 -1.34 0.00 0.00 175.55 173.68 2aqb s LEU 295 N -0.20 2.33 -0.62 6.97 0.20 0.41 -0.73 118.68 127.05 2aqb s LEU 295 Ca -0.03 -0.83 -0.23 0.00 0.69 0.00 0.00 54.13 53.73 2aqb s LEU 295 Cb -0.02 -1.36 0.06 0.00 -0.43 0.00 0.00 46.19 44.43 2aqb s LEU 295 CO 0.00 -0.09 0.96 0.21 -0.29 0.00 0.00 176.35 177.15 2aqb s ASN 296 N 1.32 6.24 0.59 3.68 3.84 0.12 -2.47 114.94 128.27 2aqb s ASN 296 Ca 0.01 -0.70 -0.15 0.00 0.21 0.00 0.00 52.86 52.22 2aqb s ASN 296 Cb -0.15 -2.43 -0.04 0.00 -0.55 0.00 0.00 41.25 38.08 2aqb s ASN 296 CO -0.10 -1.37 1.04 -0.94 -2.79 0.00 0.00 177.10 172.94 2aqb s SER 297 N 3.32 5.97 0.17 -4.21 1.04 -1.02 -1.83 113.70 117.14 2aqb s SER 297 Ca 0.26 1.69 -0.15 0.00 0.48 0.00 0.00 55.95 58.23 2aqb s SER 297 Cb -0.15 -2.52 0.05 0.00 0.10 0.00 0.00 66.02 63.50 2aqb s SER 297 CO 0.14 -1.04 1.83 -0.74 0.98 0.00 0.00 173.24 174.41 2aqb h HIS 298 N 0.33 0.61 -0.86 5.02 2.76 -1.90 -3.43 115.15 117.68 2aqb h HIS 298 Ca -0.46 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.72 2aqb h HIS 298 Cb 1.21 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.96 2aqb h HIS 298 CO 0.61 0.38 0.00 0.41 -1.30 0.00 0.00 177.93 178.03 2aqb n GLY 299 N -1.22 0.00 0.19 5.26 0.00 -1.26 -4.84 105.19 103.32 2aqb n GLY 299 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.17 2aqb n GLY 299 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2aqb n THR 300 N 0.19 0.00 -1.90 2.61 -2.24 -1.26 -4.57 114.28 107.11 2aqb n THR 300 Ca 0.00 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2aqb n THR 300 Cb 0.00 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 2aqb n THR 300 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2aqb n SER 301 N -0.80 -1.37 -4.53 3.42 2.88 -1.26 -3.93 113.62 108.03 2aqb n SER 301 Ca 0.12 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.32 2aqb n SER 301 Cb 0.33 -0.41 -0.12 0.00 -0.75 0.00 0.00 64.21 63.27 2aqb n SER 301 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2aqb s THR 302 N -2.56 3.40 0.09 2.46 -4.23 -1.26 -2.00 115.64 111.55 2aqb s THR 302 Ca 0.00 -0.59 -0.21 0.00 -1.18 0.00 0.00 61.69 59.71 2aqb s THR 302 Cb 0.00 -2.37 -0.06 0.00 1.34 0.00 0.00 72.50 71.41 2aqb s THR 302 CO 0.00 0.59 1.35 -0.65 -0.54 0.00 0.00 174.62 175.37 2aqb h PRO 303 N 5.38 -0.14 -0.04 3.99 0.11 -1.95 -2.15 132.00 137.20 2aqb h PRO 303 Ca -0.46 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 2aqb h PRO 303 Cb 1.17 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2aqb h PRO 303 CO 0.52 -0.09 -0.19 0.28 -0.21 0.00 0.00 178.00 178.30 2aqb h VAL 304 N -0.15 1.46 -0.72 3.15 2.07 -1.99 -3.38 116.25 116.70 2aqb h VAL 304 Ca 0.07 -1.65 -0.00 0.00 0.82 0.00 0.00 66.70 65.94 2aqb h VAL 304 Cb 0.33 2.42 -0.04 0.00 -1.52 0.00 0.00 31.29 32.49 2aqb h VAL 304 CO -0.48 0.46 0.45 1.23 0.02 0.00 0.00 177.57 179.24 2aqb h GLY 305 N -0.35 1.04 0.70 2.17 0.00 -1.96 -2.35 103.07 102.32 2aqb h GLY 305 Ca -0.01 -0.42 0.03 0.00 0.00 0.00 0.00 47.33 46.93 2aqb h GLY 305 CO 0.04 0.41 -0.00 -0.55 0.00 0.00 0.00 176.54 176.43 2aqb h ASP 306 N 0.98 -0.08 1.65 0.19 5.19 -1.55 -2.78 116.42 120.01 2aqb h ASP 306 Ca 0.26 0.04 -0.07 0.00 -0.62 0.00 0.00 57.03 56.64 2aqb h ASP 306 Cb -0.06 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 2aqb h ASP 306 CO -0.05 -0.02 -0.33 -0.37 -3.12 0.00 0.00 179.24 175.35 2aqb h VAL 307 N 0.05 0.58 -0.56 -1.35 -1.51 -1.70 -2.92 116.25 108.85 2aqb h VAL 307 Ca 0.09 -1.80 -0.11 0.00 -1.23 0.00 0.00 66.70 63.65 2aqb h VAL 307 Cb 0.11 2.27 -0.02 0.00 -2.13 0.00 0.00 31.29 31.53 2aqb h VAL 307 CO -0.15 0.33 -0.09 0.50 -1.23 0.00 0.00 177.57 176.92 2aqb h LYS 308 N 0.00 1.04 -0.42 5.19 1.63 -1.30 -1.12 116.57 121.60 2aqb h LYS 308 Ca -0.00 -0.37 -0.04 0.00 -0.85 0.00 0.00 60.65 59.38 2aqb h LYS 308 Cb 1.25 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.79 2aqb h LYS 308 CO 0.04 1.07 0.09 1.49 -3.45 0.00 0.00 179.45 178.69 2aqb h GLU 309 N 0.93 0.68 -0.63 1.90 4.81 -1.45 -2.32 114.58 118.49 2aqb h GLU 309 Ca 0.15 -0.17 0.08 0.00 -0.13 0.00 0.00 59.36 59.28 2aqb h GLU 309 Cb 0.66 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.89 2aqb h GLU 309 CO 0.05 0.70 0.31 -0.07 -0.73 0.00 0.00 179.01 179.27 2aqb h LEU 310 N 0.54 0.41 -1.33 1.64 4.07 -1.34 0.15 115.31 119.44 2aqb h LEU 310 Ca 0.13 0.05 -0.02 0.00 0.08 0.00 0.00 57.88 58.12 2aqb h LEU 310 Cb 0.34 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.04 2aqb h LEU 310 CO 0.00 0.25 0.18 0.00 -1.08 0.00 0.00 178.44 177.80 2aqb h ALA 311 N 1.38 1.48 -0.19 1.53 0.00 -1.12 -0.46 119.26 121.87 2aqb h ALA 311 Ca 0.30 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2aqb h ALA 311 Cb 0.28 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2aqb h ALA 311 CO -0.23 0.41 -0.11 0.00 0.00 0.00 0.00 179.25 179.32 2aqb h ALA 312 N 1.57 0.27 -0.37 0.00 0.00 -0.66 -2.10 119.26 117.96 2aqb h ALA 312 Ca 0.16 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.80 2aqb h ALA 312 Cb 0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2aqb h ALA 312 CO -0.02 0.11 0.18 0.82 0.00 0.00 0.00 179.25 180.35 2aqb h ILE 313 N 0.10 0.98 -0.85 0.00 2.04 -0.43 -1.30 117.51 118.05 2aqb h ILE 313 Ca 0.04 -0.13 0.09 0.00 1.00 0.00 0.00 64.86 65.86 2aqb h ILE 313 Cb 0.60 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 37.18 2aqb h ILE 313 CO 0.03 0.07 0.50 -0.09 0.00 0.00 0.00 178.15 178.66 2aqb h ARG 314 N 0.38 0.83 -0.52 2.37 2.43 -1.10 0.25 114.38 119.02 2aqb h ARG 314 Ca 0.16 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 2aqb h ARG 314 Cb 0.06 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 2aqb h ARG 314 CO -0.11 0.55 0.08 1.49 -1.51 0.00 0.00 179.97 180.47 2aqb h GLU 315 N 0.86 0.87 -0.11 0.20 4.57 -0.81 0.13 114.58 120.29 2aqb h GLU 315 Ca 0.40 -0.24 -0.07 0.00 -1.18 0.00 0.00 59.36 58.27 2aqb h GLU 315 Cb 0.32 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 2aqb h GLU 315 CO -0.23 0.85 -0.20 0.28 -1.18 0.00 0.00 179.01 178.54 2aqb h VAL 316 N 0.75 1.39 0.07 0.32 2.07 -0.83 -3.38 116.25 116.63 2aqb h VAL 316 Ca 0.16 -1.48 -0.38 0.00 0.82 0.00 0.00 66.70 65.83 2aqb h VAL 316 Cb 0.41 2.09 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 2aqb h VAL 316 CO 0.01 0.43 -2.22 0.49 0.02 0.00 0.00 177.57 176.30 2aqb n PHE 317 N -4.52 0.69 0.00 1.57 3.01 0.04 -5.06 117.46 113.18 2aqb n PHE 317 Ca -0.07 0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.53 2aqb n PHE 317 Cb 0.41 -1.09 0.00 0.00 -0.01 0.00 0.00 39.48 38.79 2aqb n PHE 317 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2aqb n GLY 318 N 2.11 1.33 0.13 1.37 0.00 0.45 -3.88 105.19 106.71 2aqb n GLY 318 Ca -0.38 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 44.72 2aqb n GLY 318 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2aqb h ASP 319 N 0.00 0.60 -0.64 1.61 3.58 -1.97 -3.39 116.42 116.22 2aqb h ASP 319 Ca 0.00 -0.92 -0.72 0.00 0.42 0.00 0.00 57.03 55.81 2aqb h ASP 319 Cb 0.00 -0.19 -0.07 0.00 1.72 0.00 0.00 39.33 40.78 2aqb h ASP 319 CO 0.00 1.47 2.84 2.29 -2.88 0.00 0.00 179.24 182.96 2aqb n LYS 320 N -4.01 3.66 -2.89 0.28 2.85 -1.25 -4.97 118.16 111.82 2aqb n LYS 320 Ca -0.14 -2.96 -0.32 0.00 -1.05 0.00 0.00 58.31 53.85 2aqb n LYS 320 Cb 0.89 -2.93 -0.05 0.00 -0.65 0.00 0.00 35.03 32.29 2aqb n LYS 320 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2aqb s SER 321 N 1.67 6.66 0.84 -5.58 1.04 -1.26 -4.90 113.70 112.17 2aqb s SER 321 Ca 0.52 1.30 -0.12 0.00 0.48 0.00 0.00 55.95 58.13 2aqb s SER 321 Cb 0.15 -2.39 0.10 0.00 0.10 0.00 0.00 66.02 63.98 2aqb s SER 321 CO -0.06 -0.35 1.15 -2.16 0.98 0.00 0.00 173.24 172.79 2aqb s PRO 322 N -3.52 1.72 0.32 4.02 0.04 -1.26 -4.80 135.00 131.53 2aqb s PRO 322 Ca 0.54 0.27 -0.29 0.00 0.04 0.00 0.00 61.00 61.56 2aqb s PRO 322 Cb -0.10 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.42 2aqb s PRO 322 CO 0.25 -1.79 1.46 0.00 0.04 0.00 0.00 177.00 176.96 2aqb s ALA 323 N -3.39 3.60 -0.06 8.56 0.00 -1.16 -4.28 121.76 125.04 2aqb s ALA 323 Ca 0.62 1.46 0.03 0.00 0.00 0.00 0.00 51.96 54.07 2aqb s ALA 323 Cb -0.13 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.42 2aqb s ALA 323 CO 0.52 -0.89 -0.14 0.42 0.00 0.00 0.00 175.76 175.67 2aqb s ILE 324 N -0.67 1.23 0.02 0.00 1.01 0.87 -0.44 121.20 123.22 2aqb s ILE 324 Ca 0.55 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.65 2aqb s ILE 324 Cb -0.44 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 40.91 2aqb s ILE 324 CO 0.54 0.37 -0.04 -0.94 0.00 0.00 0.00 174.94 174.87 2aqb s SER 325 N 0.40 0.39 -0.46 3.58 1.04 -1.03 -0.84 113.70 116.79 2aqb s SER 325 Ca -0.10 -0.35 -0.09 0.00 0.48 0.00 0.00 55.95 55.88 2aqb s SER 325 Cb -0.14 0.04 0.11 0.00 0.10 0.00 0.00 66.02 66.13 2aqb s SER 325 CO 0.03 -0.16 0.32 0.00 0.98 0.00 0.00 173.24 174.41 2aqb s ALA 326 N -0.95 3.36 -0.67 5.32 0.00 -1.26 -2.44 121.76 125.11 2aqb s ALA 326 Ca -0.09 -2.42 0.21 0.00 0.00 0.00 0.00 51.96 49.66 2aqb s ALA 326 Cb -0.07 -2.77 0.86 0.00 0.00 0.00 0.00 23.12 21.14 2aqb s ALA 326 CO -0.00 -1.83 1.63 0.25 0.00 0.00 0.00 175.76 175.81 2aqb n THR 327 N 4.91 0.87 0.29 0.00 -2.24 -1.26 -2.62 114.28 114.22 2aqb n THR 327 Ca -0.08 0.22 0.16 0.00 -2.27 0.00 0.00 64.05 62.08 2aqb n THR 327 Cb 0.41 -1.08 0.87 0.00 -2.10 0.00 0.00 70.33 68.43 2aqb n THR 327 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2aqb h LYS 328 N 0.00 0.00 -0.17 -0.78 1.57 -1.81 0.33 116.57 115.71 2aqb h LYS 328 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2aqb h LYS 328 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2aqb h LYS 328 CO 0.00 0.06 0.08 0.00 -0.57 0.00 0.00 179.45 179.01 2aqb h ALA 329 N 1.94 1.82 0.03 3.86 0.00 -1.75 0.16 119.26 125.31 2aqb h ALA 329 Ca -0.00 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 2aqb h ALA 329 Cb 0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2aqb h ALA 329 CO 0.01 0.15 -1.10 0.52 0.00 0.00 0.00 179.25 178.83 2aqb h MET 330 N 0.23 0.06 0.03 0.00 2.86 -1.40 -3.42 114.93 113.28 2aqb h MET 330 Ca 0.06 -0.10 -0.31 0.00 -2.06 0.00 0.00 59.70 57.30 2aqb h MET 330 Cb 0.04 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.69 2aqb h MET 330 CO -0.01 1.05 -1.77 0.25 1.06 0.00 0.00 176.91 177.49 2aqb n THR 331 N -4.33 1.64 -0.06 2.22 -2.24 -0.03 -1.17 114.28 110.32 2aqb n THR 331 Ca -0.27 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 60.74 2aqb n THR 331 Cb 0.70 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 2aqb n THR 331 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2aqb n GLY 332 N 1.64 -3.40 3.30 3.38 0.00 0.54 -4.55 105.19 106.09 2aqb n GLY 332 Ca -0.20 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 2aqb n GLY 332 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2aqb s HIS 333 N -0.97 3.32 -1.49 1.61 2.46 0.27 -4.61 115.29 115.88 2aqb s HIS 333 Ca 0.00 -1.39 0.06 0.00 0.47 0.00 0.00 55.06 54.20 2aqb s HIS 333 Cb 0.00 -3.18 0.23 0.00 -0.13 0.00 0.00 32.58 29.50 2aqb s HIS 333 CO 0.00 -0.87 1.06 -1.13 -2.47 0.00 0.00 174.74 171.33 2aqb n SER 334 N 5.03 1.78 0.00 9.88 3.41 -1.26 -0.49 113.62 131.97 2aqb n SER 334 Ca -0.11 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 2aqb n SER 334 Cb 0.42 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 2aqb n SER 334 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2aqb n LEU 335 N 0.20 0.00 0.21 1.04 4.77 -1.26 -1.65 117.00 120.30 2aqb n LEU 335 Ca 0.08 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.15 2aqb n LEU 335 Cb 0.35 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.76 2aqb n LEU 335 CO 0.07 0.00 0.73 1.23 -1.33 0.00 0.00 177.39 178.10 2aqb h GLY 336 N 0.00 0.00 1.33 -0.72 0.00 -1.87 -2.98 103.07 98.83 2aqb h GLY 336 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2aqb h GLY 336 CO 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 176.54 176.14 2aqb n ALA 337 N -2.20 3.00 -0.22 3.60 0.00 -0.66 -2.83 120.51 121.20 2aqb n ALA 337 Ca 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 53.44 53.17 2aqb n ALA 337 Cb 0.51 -1.23 0.07 0.00 0.00 0.00 0.00 19.45 18.79 2aqb n ALA 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aqb h ALA 338 N 2.80 0.83 -0.35 0.00 0.00 -1.63 -2.19 119.26 118.72 2aqb h ALA 338 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2aqb h ALA 338 Cb 0.60 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2aqb h ALA 338 CO 0.00 0.13 0.21 0.78 0.00 0.00 0.00 179.25 180.37 2aqb h GLY 339 N 0.76 0.51 1.14 0.00 0.00 -1.77 -0.30 103.07 103.41 2aqb h GLY 339 Ca 0.26 -0.21 -0.25 0.00 0.00 0.00 0.00 47.33 47.13 2aqb h GLY 339 CO -0.11 0.21 -0.97 -0.24 0.00 0.00 0.00 176.54 175.43 2aqb h VAL 340 N 0.45 1.30 -0.76 4.60 3.04 -1.73 -1.42 116.25 121.73 2aqb h VAL 340 Ca 0.12 -2.21 -0.02 0.00 -1.01 0.00 0.00 66.70 63.58 2aqb h VAL 340 Cb 0.01 2.41 -0.04 0.00 -2.01 0.00 0.00 31.29 31.66 2aqb h VAL 340 CO -0.02 0.68 0.38 1.56 -1.01 0.00 0.00 177.57 179.16 2aqb h GLN 341 N 0.32 1.07 0.00 4.17 4.20 -1.33 0.23 115.11 123.77 2aqb h GLN 341 Ca -0.12 -0.14 -0.20 0.00 0.06 0.00 0.00 58.65 58.25 2aqb h GLN 341 Cb 1.63 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 29.18 2aqb h GLN 341 CO 0.19 0.81 -0.96 0.93 -0.67 0.00 0.00 178.83 179.13 2aqb h GLU 342 N 1.07 0.00 -0.66 1.46 5.08 -1.09 0.57 114.58 121.01 2aqb h GLU 342 Ca 0.26 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.59 2aqb h GLU 342 Cb 0.07 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2aqb h GLU 342 CO -0.04 0.96 0.26 0.00 -1.00 0.00 0.00 179.01 179.19 2aqb h ALA 343 N 1.04 1.21 -0.13 3.43 0.00 -1.00 -1.99 119.26 121.82 2aqb h ALA 343 Ca -0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2aqb h ALA 343 Cb 1.74 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 2aqb h ALA 343 CO 0.12 0.58 -0.11 0.82 0.00 0.00 0.00 179.25 180.66 2aqb h ILE 344 N 0.96 1.34 -0.62 0.00 2.04 -0.62 -1.66 117.51 118.94 2aqb h ILE 344 Ca 0.22 -1.24 0.10 0.00 1.00 0.00 0.00 64.86 64.95 2aqb h ILE 344 Cb 0.20 1.87 -0.08 0.00 -0.74 0.00 0.00 36.82 38.07 2aqb h ILE 344 CO -0.02 0.36 0.22 1.88 0.00 0.00 0.00 178.15 180.59 2aqb h TYR 345 N -0.07 0.39 -0.65 1.37 0.05 -0.87 0.34 116.97 117.53 2aqb h TYR 345 Ca 0.02 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.78 2aqb h TYR 345 Cb 0.62 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 38.25 2aqb h TYR 345 CO 0.08 0.08 0.19 0.77 -1.05 0.00 0.00 178.16 178.24 2aqb h SER 346 N 0.40 0.93 0.08 3.88 0.02 -1.33 -1.65 113.55 115.87 2aqb h SER 346 Ca 0.32 -0.17 -0.11 0.00 -0.84 0.00 0.00 61.79 60.99 2aqb h SER 346 Cb 0.41 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2aqb h SER 346 CO -0.32 0.88 -0.38 -0.07 -1.14 0.00 0.00 176.83 175.79 2aqb h LEU 347 N 0.96 0.41 -0.54 5.07 4.07 -0.61 -0.99 115.31 123.68 2aqb h LEU 347 Ca 0.21 -0.17 -0.15 0.00 0.08 0.00 0.00 57.88 57.85 2aqb h LEU 347 Cb 0.29 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 2aqb h LEU 347 CO -0.01 0.76 -0.47 -0.07 -1.08 0.00 0.00 178.44 177.57 2aqb h LEU 348 N 0.33 0.69 -0.85 1.67 3.38 -0.60 0.11 115.31 120.04 2aqb h LEU 348 Ca 0.03 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.58 2aqb h LEU 348 Cb 0.82 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2aqb h LEU 348 CO 0.07 1.05 -0.08 0.24 0.09 0.00 0.00 178.44 179.81 2aqb h MET 349 N 0.51 0.77 -0.08 1.13 2.86 -1.20 -0.06 114.93 118.86 2aqb h MET 349 Ca 0.03 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.41 2aqb h MET 349 Cb 1.01 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.59 2aqb h MET 349 CO 0.09 0.83 -0.02 1.25 1.06 0.00 0.00 176.91 180.12 2aqb h LEU 350 N 0.70 0.15 -0.76 1.22 6.46 -0.96 -1.22 115.31 120.91 2aqb h LEU 350 Ca 0.12 -0.38 -0.08 0.00 -0.12 0.00 0.00 57.88 57.42 2aqb h LEU 350 Cb 0.55 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.41 2aqb h LEU 350 CO 0.03 0.50 0.05 -0.08 -0.62 0.00 0.00 178.44 178.32 2aqb h GLU 351 N -0.20 1.00 -0.28 1.25 4.57 -0.73 -3.26 114.58 116.93 2aqb h GLU 351 Ca 0.02 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 2aqb h GLU 351 Cb 0.44 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2aqb h GLU 351 CO 0.01 0.95 0.00 0.72 -1.18 0.00 0.00 179.01 179.51 2aqb n HIS 352 N -4.20 0.35 -3.31 0.92 8.25 -0.04 -5.02 115.22 112.17 2aqb n HIS 352 Ca 0.03 -0.23 -0.16 0.00 -0.26 0.00 0.00 57.72 57.11 2aqb n HIS 352 Cb 0.31 -0.01 0.07 0.00 1.12 0.00 0.00 29.99 31.49 2aqb n HIS 352 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2aqb n GLY 353 N 1.12 -0.99 3.60 -1.41 0.00 -0.49 -4.97 105.19 102.05 2aqb n GLY 353 Ca 0.15 0.48 -0.09 0.00 0.00 0.00 0.00 46.02 46.56 2aqb n GLY 353 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2aqb s PHE 354 N -3.39 -0.11 -0.16 1.61 -0.12 -1.00 -1.77 117.98 113.04 2aqb s PHE 354 Ca 0.36 -0.26 0.00 0.00 -0.05 0.00 0.00 56.93 56.99 2aqb s PHE 354 Cb -0.05 0.45 0.00 0.00 -0.63 0.00 0.00 43.02 42.79 2aqb s PHE 354 CO 0.74 -0.99 -0.16 0.42 -0.05 0.00 0.00 175.22 175.18 2aqb s ILE 355 N -3.89 2.54 0.54 -4.49 1.01 0.44 -4.62 121.20 112.73 2aqb s ILE 355 Ca 0.11 -0.80 -0.20 0.00 0.00 0.00 0.00 60.65 59.75 2aqb s ILE 355 Cb -0.02 -2.07 -0.06 0.00 0.01 0.00 0.00 42.46 40.32 2aqb s ILE 355 CO 0.00 0.52 1.16 0.00 0.00 0.00 0.00 174.94 176.62 2aqb s ALA 356 N 0.93 2.71 0.33 9.38 0.00 -1.26 -2.39 121.76 131.47 2aqb s ALA 356 Ca -0.03 0.90 -0.20 0.00 0.00 0.00 0.00 51.96 52.63 2aqb s ALA 356 Cb -0.15 -3.39 -0.10 0.00 0.00 0.00 0.00 23.12 19.48 2aqb s ALA 356 CO -0.02 -0.85 0.84 -1.25 0.00 0.00 0.00 175.76 174.47 2aqb s PRO 357 N -3.18 4.23 -0.72 0.00 0.04 -1.26 -4.76 135.00 129.34 2aqb s PRO 357 Ca 0.72 0.96 -0.23 0.00 0.04 0.00 0.00 61.00 62.49 2aqb s PRO 357 Cb -0.27 -2.51 0.06 0.00 0.04 0.00 0.00 34.50 31.83 2aqb s PRO 357 CO 0.30 0.17 1.08 0.45 0.04 0.00 0.00 177.00 179.04 2aqb s SER 358 N -2.00 6.23 0.72 6.66 0.15 0.81 -4.76 113.70 121.51 2aqb s SER 358 Ca 0.54 -0.98 -0.07 0.00 0.70 0.00 0.00 55.95 56.14 2aqb s SER 358 Cb -0.13 -2.46 0.07 0.00 -1.71 0.00 0.00 66.02 61.80 2aqb s SER 358 CO 0.18 -1.51 1.04 0.27 1.20 0.00 0.00 173.24 174.42 2aqb s ILE 359 N 4.39 2.24 -1.82 6.45 -4.36 -1.26 -4.40 121.20 122.44 2aqb s ILE 359 Ca 0.27 -0.27 0.00 0.00 -0.26 0.00 0.00 60.65 60.39 2aqb s ILE 359 Cb -0.13 -2.97 0.00 0.00 1.25 0.00 0.00 42.46 40.61 2aqb s ILE 359 CO 0.08 0.00 0.00 0.59 0.24 0.00 0.00 174.94 175.85 2aqb n ASN 360 N -2.98 -5.48 -4.42 4.36 3.02 -1.26 -4.46 115.26 104.05 2aqb n ASN 360 Ca 0.09 0.18 -0.44 0.00 -0.03 0.00 0.00 54.58 54.37 2aqb n ASN 360 Cb 0.60 -4.58 -0.03 0.00 -0.61 0.00 0.00 39.78 35.16 2aqb n ASN 360 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2aqb s ILE 361 N -2.87 4.87 -0.17 2.41 1.01 -1.26 -4.65 121.20 120.54 2aqb s ILE 361 Ca 0.00 -1.54 0.19 0.00 0.00 0.00 0.00 60.65 59.29 2aqb s ILE 361 Cb 0.00 -4.67 -0.07 0.00 0.01 0.00 0.00 42.46 37.73 2aqb s ILE 361 CO 0.00 -1.36 0.94 -0.33 0.00 0.00 0.00 174.94 174.19 2aqb h GLU 362 N 8.76 0.00 -1.72 2.79 5.08 -1.95 -3.44 114.58 124.10 2aqb h GLU 362 Ca 0.04 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.21 2aqb h GLU 362 Cb 1.04 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.01 2aqb h GLU 362 CO 1.05 0.20 -0.53 -2.00 -1.00 0.00 0.00 179.01 176.73 2aqb s GLU 363 N -3.07 0.41 0.22 2.33 2.12 -1.26 -5.08 118.70 114.37 2aqb s GLU 363 Ca -0.02 0.17 -0.32 0.00 0.36 0.00 0.00 54.97 55.16 2aqb s GLU 363 Cb 0.09 -0.31 -0.12 0.00 0.26 0.00 0.00 34.13 34.04 2aqb s GLU 363 CO 0.80 -1.00 1.67 -0.11 -0.54 0.00 0.00 175.26 176.08 2aqb n LEU 364 N 5.35 3.95 -4.71 2.70 0.00 -1.26 -0.95 117.00 122.08 2aqb n LEU 364 Ca 0.00 1.09 -0.43 0.00 0.00 0.00 0.00 56.01 56.67 2aqb n LEU 364 Cb 0.49 -1.56 -0.01 0.00 0.00 0.00 0.00 43.42 42.34 2aqb n LEU 364 CO -0.01 0.10 1.04 -0.67 0.00 0.00 0.00 177.39 177.85 2aqb n ASP 365 N 3.44 3.12 0.17 1.96 2.03 -0.19 -4.72 116.55 122.36 2aqb n ASP 365 Ca 0.14 1.18 0.18 0.00 0.52 0.00 0.00 54.79 56.81 2aqb n ASP 365 Cb 0.34 -1.51 0.80 0.00 -0.72 0.00 0.00 41.12 40.03 2aqb n ASP 365 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2aqb h GLU 366 N 3.56 0.00 -0.01 -0.67 4.11 -1.91 -1.12 114.58 118.54 2aqb h GLU 366 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2aqb h GLU 366 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2aqb h GLU 366 CO 0.70 0.00 -0.01 1.04 0.07 0.00 0.00 179.01 180.81 2aqb n GLN 367 N -3.87 1.47 -0.09 1.06 6.02 -1.26 -3.60 117.38 117.11 2aqb n GLN 367 Ca 0.03 -0.73 0.12 0.00 -0.01 0.00 0.00 57.00 56.41 2aqb n GLN 367 Cb 0.39 -1.48 0.23 0.00 1.02 0.00 0.00 30.24 30.40 2aqb n GLN 367 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2aqb n ALA 368 N -0.12 2.46 -1.76 -1.58 0.00 -0.42 -4.89 120.51 114.20 2aqb n ALA 368 Ca 0.20 -0.77 -0.40 0.00 0.00 0.00 0.00 53.44 52.47 2aqb n ALA 368 Cb 0.30 -0.92 0.02 0.00 0.00 0.00 0.00 19.45 18.86 2aqb n ALA 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aqb n ALA 369 N 1.14 1.94 -0.84 0.00 0.00 -1.24 -3.40 120.51 118.11 2aqb n ALA 369 Ca 0.17 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2aqb n ALA 369 Cb 0.54 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.61 2aqb n ALA 369 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aqb n GLY 370 N 0.62 0.73 3.64 0.00 0.00 -1.26 -5.04 105.19 103.87 2aqb n GLY 370 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 2aqb n GLY 370 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqb s LEU 371 N 0.00 3.18 -1.22 0.99 1.43 -1.22 -4.97 118.68 116.87 2aqb s LEU 371 Ca 0.00 -0.62 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 2aqb s LEU 371 Cb 0.00 -1.73 0.19 0.00 0.03 0.00 0.00 46.19 44.68 2aqb s LEU 371 CO 0.00 0.02 1.57 -3.20 0.23 0.00 0.00 176.35 174.97 2aqb n ASN 372 N -0.71 5.30 -4.56 2.29 4.05 -1.26 -4.97 115.26 115.41 2aqb n ASN 372 Ca -0.07 -3.07 -0.43 0.00 0.45 0.00 0.00 54.58 51.46 2aqb n ASN 372 Cb 0.58 -1.50 -0.04 0.00 1.23 0.00 0.00 39.78 40.06 2aqb n ASN 372 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2aqb s ILE 373 N 0.53 4.38 -0.26 -1.44 1.09 -1.26 -0.09 121.20 124.14 2aqb s ILE 373 Ca 0.40 0.65 -0.29 0.00 -1.10 0.00 0.00 60.65 60.31 2aqb s ILE 373 Cb 0.02 -4.51 0.00 0.00 -1.06 0.00 0.00 42.46 36.91 2aqb s ILE 373 CO 0.00 -0.99 1.17 -0.69 -0.10 0.00 0.00 174.94 174.33 2aqb s VAL 374 N 3.99 4.41 -0.94 2.92 1.01 -0.02 -4.91 120.40 126.87 2aqb s VAL 374 Ca 0.36 1.65 0.11 0.00 0.00 0.00 0.00 61.98 64.11 2aqb s VAL 374 Cb -0.10 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 2aqb s VAL 374 CO 0.24 -0.33 0.64 0.35 0.00 0.00 0.00 175.10 176.00 2aqb n THR 375 N 5.71 0.00 -4.21 3.92 -2.24 -1.26 -0.14 114.28 116.06 2aqb n THR 375 Ca 0.13 -0.36 -0.18 0.00 -2.27 0.00 0.00 64.05 61.37 2aqb n THR 375 Cb 0.46 1.11 -0.12 0.00 -2.10 0.00 0.00 70.33 69.68 2aqb n THR 375 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2aqb s GLU 376 N -1.58 0.83 -0.14 -0.78 1.03 -1.26 -4.45 118.70 112.35 2aqb s GLU 376 Ca 0.08 -0.89 -0.32 0.00 0.03 0.00 0.00 54.97 53.87 2aqb s GLU 376 Cb 0.09 -0.82 -0.10 0.00 -0.80 0.00 0.00 34.13 32.50 2aqb s GLU 376 CO 0.31 0.19 2.02 2.41 -1.33 0.00 0.00 175.26 178.87 2aqb n THR 377 N 1.47 0.50 -4.29 1.83 -1.04 -1.26 -4.58 114.28 106.90 2aqb n THR 377 Ca -0.20 -0.22 -0.27 0.00 -2.04 0.00 0.00 64.05 61.32 2aqb n THR 377 Cb 0.54 -2.06 -0.17 0.00 -1.82 0.00 0.00 70.33 66.83 2aqb n THR 377 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2aqb s THR 378 N 5.63 1.30 0.05 12.58 -4.23 -1.01 -4.97 115.64 124.99 2aqb s THR 378 Ca 0.97 -0.51 -0.31 0.00 -1.18 0.00 0.00 61.69 60.66 2aqb s THR 378 Cb -0.60 -1.22 -0.07 0.00 1.34 0.00 0.00 72.50 71.95 2aqb s THR 378 CO 0.46 0.40 1.42 -1.81 -0.54 0.00 0.00 174.62 174.55 2aqb s ASP 379 N 1.16 6.82 -0.08 3.99 -0.00 -1.26 -0.42 116.67 126.88 2aqb s ASP 379 Ca -0.04 2.23 -0.15 0.00 -0.00 0.00 0.00 52.55 54.59 2aqb s ASP 379 Cb -0.14 -2.57 0.03 0.00 -0.00 0.00 0.00 42.92 40.24 2aqb s ASP 379 CO -0.03 -0.71 0.37 -0.60 -0.00 0.00 0.00 175.17 174.20 2aqb s ARG 380 N 1.90 0.60 -0.96 8.23 3.52 -0.73 -4.93 118.95 126.58 2aqb s ARG 380 Ca 0.65 0.18 -0.23 0.00 -0.13 0.00 0.00 55.73 56.20 2aqb s ARG 380 Cb -0.34 0.28 0.06 0.00 -1.56 0.00 0.00 34.95 33.38 2aqb s ARG 380 CO 0.29 -0.13 1.37 -2.00 -0.81 0.00 0.00 175.30 174.01 2aqb s GLU 381 N -0.62 3.52 0.30 5.12 2.12 -1.26 -3.17 118.70 124.72 2aqb s GLU 381 Ca -0.07 -1.07 -0.22 0.00 0.36 0.00 0.00 54.97 53.97 2aqb s GLU 381 Cb -0.04 -5.10 -0.09 0.00 0.26 0.00 0.00 34.13 29.16 2aqb s GLU 381 CO 0.03 -2.13 0.84 -0.51 -0.54 0.00 0.00 175.26 172.96 2aqb s LEU 382 N 4.74 4.25 -0.06 2.70 1.43 -1.26 -5.00 118.68 125.49 2aqb s LEU 382 Ca 0.42 1.60 -0.01 0.00 -1.03 0.00 0.00 54.13 55.11 2aqb s LEU 382 Cb -0.02 -3.96 -0.03 0.00 0.03 0.00 0.00 46.19 42.21 2aqb s LEU 382 CO -0.06 -0.09 -0.06 0.41 0.23 0.00 0.00 176.35 176.78 2aqb n THR 383 N 0.32 0.31 -3.85 5.49 -1.04 -1.26 -4.95 114.28 109.30 2aqb n THR 383 Ca 0.01 -0.10 -0.26 0.00 -2.04 0.00 0.00 64.05 61.66 2aqb n THR 383 Cb 0.51 -1.05 -0.17 0.00 -1.82 0.00 0.00 70.33 67.81 2aqb n THR 383 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2aqb s THR 384 N -2.11 0.84 0.14 12.58 2.01 -1.26 -2.16 115.64 125.68 2aqb s THR 384 Ca -0.08 -0.28 0.10 0.00 0.31 0.00 0.00 61.69 61.74 2aqb s THR 384 Cb 0.02 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 2aqb s THR 384 CO 0.11 0.24 -0.19 0.68 -0.69 0.00 0.00 174.62 174.78 2aqb s VAL 385 N 1.77 2.75 -0.04 3.82 -7.23 -0.02 -0.53 120.40 120.92 2aqb s VAL 385 Ca 0.04 -1.64 0.04 0.00 -1.81 0.00 0.00 61.98 58.60 2aqb s VAL 385 Cb -0.13 -2.28 -0.00 0.00 0.56 0.00 0.00 36.38 34.53 2aqb s VAL 385 CO -0.07 0.04 -0.14 -0.32 -0.31 0.00 0.00 175.10 174.29 2aqb s MET 386 N -2.31 1.46 -0.08 4.82 -2.45 0.09 -0.63 119.30 120.20 2aqb s MET 386 Ca 0.19 -0.49 0.03 0.00 -1.25 0.00 0.00 55.69 54.17 2aqb s MET 386 Cb -0.10 -1.29 0.01 0.00 1.25 0.00 0.00 34.83 34.69 2aqb s MET 386 CO 0.10 0.19 -0.17 0.45 1.05 0.00 0.00 175.02 176.64 2aqb s SER 387 N 0.11 2.30 -0.12 1.11 0.15 0.37 0.13 113.70 117.75 2aqb s SER 387 Ca -0.04 -0.40 -0.03 0.00 0.70 0.00 0.00 55.95 56.18 2aqb s SER 387 Cb -0.10 -1.01 -0.03 0.00 -1.71 0.00 0.00 66.02 63.16 2aqb s SER 387 CO 0.01 0.09 -0.00 0.20 1.20 0.00 0.00 173.24 174.75 2aqb s ASN 388 N 0.47 5.16 -0.19 5.45 0.01 -0.76 -0.98 114.94 124.11 2aqb s ASN 388 Ca -0.15 0.06 -0.03 0.00 -0.71 0.00 0.00 52.86 52.03 2aqb s ASN 388 Cb -0.16 -1.61 0.06 0.00 0.41 0.00 0.00 41.25 39.95 2aqb s ASN 388 CO 0.05 0.30 0.05 -0.44 -1.51 0.00 0.00 177.10 175.55 2aqb s SER 389 N -0.41 2.79 -0.16 -1.22 0.01 0.79 -3.02 113.70 112.48 2aqb s SER 389 Ca 0.08 -0.78 0.01 0.00 1.31 0.00 0.00 55.95 56.57 2aqb s SER 389 Cb -0.12 -0.53 0.01 0.00 0.21 0.00 0.00 66.02 65.59 2aqb s SER 389 CO 0.02 -0.31 -0.19 -0.36 0.41 0.00 0.00 173.24 172.81 2aqb s PHE 390 N 1.91 2.75 0.36 2.43 0.08 -1.26 -0.24 117.98 124.01 2aqb s PHE 390 Ca -0.00 -1.35 0.09 0.00 0.12 0.00 0.00 56.93 55.78 2aqb s PHE 390 Cb -0.17 -1.88 -0.06 0.00 -0.57 0.00 0.00 43.02 40.34 2aqb s PHE 390 CO -0.08 -0.64 0.03 0.20 -0.10 0.00 0.00 175.22 174.63 2aqb s GLY 391 N 1.01 2.17 0.50 4.36 0.00 0.64 -4.66 107.32 111.35 2aqb s GLY 391 Ca -0.02 -2.04 -0.21 0.00 0.00 0.00 0.00 44.72 42.46 2aqb s GLY 391 CO -0.05 -1.94 0.83 0.69 0.00 0.00 0.00 173.10 172.64 2aqb n PHE 392 N -0.99 0.46 -0.70 1.90 3.72 -1.26 -2.39 117.46 118.21 2aqb n PHE 392 Ca -0.04 0.50 0.00 0.00 -0.05 0.00 0.00 57.45 57.86 2aqb n PHE 392 Cb 0.63 -2.11 0.00 0.00 -0.94 0.00 0.00 39.48 37.06 2aqb n PHE 392 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2aqb n GLY 393 N 1.42 0.65 2.49 1.37 0.00 0.52 -4.17 105.19 107.47 2aqb n GLY 393 Ca 0.11 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 2aqb n GLY 393 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqb n GLY 394 N -2.70 -0.13 3.67 -0.02 0.00 -1.06 -4.75 105.19 100.21 2aqb n GLY 394 Ca 0.00 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 2aqb n GLY 394 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2aqb s THR 395 N -2.88 5.30 -0.11 2.61 -1.32 -1.01 -0.27 115.64 117.96 2aqb s THR 395 Ca 0.15 0.41 0.03 0.00 -1.21 0.00 0.00 61.69 61.06 2aqb s THR 395 Cb -0.06 -3.60 -0.00 0.00 -1.51 0.00 0.00 72.50 67.33 2aqb s THR 395 CO 0.18 0.32 -0.21 0.20 -2.21 0.00 0.00 174.62 172.90 2aqb s ASN 396 N 0.98 3.35 -0.01 8.08 0.01 -0.19 -0.26 114.94 126.90 2aqb s ASN 396 Ca 0.13 -0.50 0.05 0.00 -0.71 0.00 0.00 52.86 51.83 2aqb s ASN 396 Cb -0.14 -1.47 -0.01 0.00 0.41 0.00 0.00 41.25 40.04 2aqb s ASN 396 CO 0.05 0.16 -0.17 0.00 -1.51 0.00 0.00 177.10 175.63 2aqb s ALA 397 N 0.37 1.43 -0.02 0.60 0.00 0.67 -1.55 121.76 123.26 2aqb s ALA 397 Ca -0.16 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2aqb s ALA 397 Cb -0.17 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.61 2aqb s ALA 397 CO 0.08 0.35 0.01 0.99 0.00 0.00 0.00 175.76 177.18 2aqb s THR 398 N -0.43 0.10 -0.10 0.00 2.01 -0.53 -0.15 115.64 116.54 2aqb s THR 398 Ca 0.07 0.09 0.03 0.00 0.31 0.00 0.00 61.69 62.19 2aqb s THR 398 Cb -0.07 -0.18 -0.01 0.00 0.01 0.00 0.00 72.50 72.25 2aqb s THR 398 CO -0.01 0.11 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.07 2aqb s LEU 399 N 0.82 2.34 -0.18 4.42 1.43 -0.15 -0.50 118.68 126.86 2aqb s LEU 399 Ca -0.08 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 2aqb s LEU 399 Cb -0.11 -1.48 0.00 0.00 0.03 0.00 0.00 46.19 44.63 2aqb s LEU 399 CO -0.02 0.19 -0.13 -0.69 0.23 0.00 0.00 176.35 175.93 2aqb s VAL 400 N 0.16 2.73 -0.06 -1.59 1.01 -0.45 -0.48 120.40 121.72 2aqb s VAL 400 Ca -0.11 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.20 2aqb s VAL 400 Cb -0.16 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 2aqb s VAL 400 CO 0.06 0.50 -0.23 -0.04 0.00 0.00 0.00 175.10 175.38 2aqb s MET 401 N 1.10 2.44 0.01 2.72 -1.94 0.19 -1.14 119.30 122.68 2aqb s MET 401 Ca 0.00 -0.84 0.01 0.00 -1.71 0.00 0.00 55.69 53.15 2aqb s MET 401 Cb -0.14 -2.05 -0.01 0.00 2.01 0.00 0.00 34.83 34.64 2aqb s MET 401 CO -0.04 0.34 -0.04 0.50 -0.01 0.00 0.00 175.02 175.77 2aqb s ARG 402 N -0.08 0.29 0.47 2.03 3.52 0.09 -0.84 118.95 124.43 2aqb s ARG 402 Ca -0.05 -0.26 -0.24 0.00 -0.13 0.00 0.00 55.73 55.05 2aqb s ARG 402 Cb -0.14 -0.21 -0.08 0.00 -1.56 0.00 0.00 34.95 32.97 2aqb s ARG 402 CO 0.04 0.05 1.30 1.63 -0.81 0.00 0.00 175.30 177.51 2aqb n LYS 403 N 2.63 1.86 0.00 5.12 5.02 -0.92 0.35 118.16 132.23 2aqb n LYS 403 Ca -0.15 0.67 0.11 0.00 -2.02 0.00 0.00 58.31 56.92 2aqb n LYS 403 Cb 0.58 -2.47 0.66 0.00 -0.02 0.00 0.00 35.03 33.78 2aqb n LYS 403 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16