#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aqb s ARG 2 N 0.00 4.33 -0.33 5.31 6.06 -1.26 -4.99 118.95 128.07 1aqb s ARG 2 Ca 0.00 2.06 -0.23 0.00 -2.50 0.00 0.00 55.73 55.06 1aqb s ARG 2 Cb 0.00 -3.24 0.00 0.00 0.06 0.00 0.00 34.95 31.77 1aqb s ARG 2 CO 0.00 -0.40 0.76 0.34 -2.50 0.00 0.00 175.30 173.50 1aqb s ASP 3 N 0.98 6.60 -0.10 -2.12 -1.08 -1.26 -4.92 116.67 114.78 1aqb s ASP 3 Ca 0.63 0.52 0.16 0.00 -0.52 0.00 0.00 52.55 53.34 1aqb s ASP 3 Cb -0.37 -2.39 0.55 0.00 -1.46 0.00 0.00 42.92 39.26 1aqb s ASP 3 CO 0.31 -0.64 1.47 0.00 0.52 0.00 0.00 175.17 176.84 1aqb s ARG 5 N -1.85 4.52 0.42 0.00 0.52 -1.26 -4.21 118.95 117.10 1aqb s ARG 5 Ca 0.41 1.69 0.12 0.00 -0.52 0.00 0.00 55.73 57.43 1aqb s ARG 5 Cb 0.27 -3.33 0.97 0.00 0.52 0.00 0.00 34.95 33.38 1aqb s ARG 5 CO 0.18 -0.08 2.00 0.28 0.02 0.00 0.00 175.30 177.71 1aqb h VAL 6 N 4.21 0.96 0.00 3.52 2.07 -1.69 0.26 116.25 125.58 1aqb h VAL 6 Ca -0.43 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1aqb h VAL 6 Cb 1.21 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1aqb h VAL 6 CO 0.76 0.08 0.00 0.77 0.02 0.00 0.00 177.57 179.21 1aqb h SER 7 N 0.46 0.00 0.59 0.57 4.64 -1.91 -2.68 113.55 115.22 1aqb h SER 7 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1aqb h SER 7 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1aqb h SER 7 CO -0.07 0.00 -0.68 -1.54 -0.87 0.00 0.00 176.83 173.68 1aqb n SER 8 N -2.32 0.60 -4.74 4.97 3.41 0.91 -4.93 113.62 111.53 1aqb n SER 8 Ca 0.01 -0.14 -0.41 0.00 -0.26 0.00 0.00 58.87 58.07 1aqb n SER 8 Cb 0.19 0.37 -0.04 0.00 -0.26 0.00 0.00 64.21 64.47 1aqb n SER 8 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1aqb s PHE 9 N -3.10 3.47 0.26 7.33 0.08 -1.01 -5.02 117.98 119.99 1aqb s PHE 9 Ca 0.08 1.47 -0.20 0.00 0.12 0.00 0.00 56.93 58.39 1aqb s PHE 9 Cb 0.15 -3.39 -0.09 0.00 -0.57 0.00 0.00 43.02 39.13 1aqb s PHE 9 CO 0.74 -1.03 0.77 1.03 -0.10 0.00 0.00 175.22 176.63 1aqb s ARG 10 N -0.24 4.29 0.33 0.44 0.52 -1.26 -5.08 118.95 117.95 1aqb s ARG 10 Ca 0.52 0.94 0.05 0.00 -0.52 0.00 0.00 55.73 56.72 1aqb s ARG 10 Cb -0.32 -2.80 -0.07 0.00 0.52 0.00 0.00 34.95 32.29 1aqb s ARG 10 CO 0.36 0.34 0.03 0.14 0.02 0.00 0.00 175.30 176.19 1aqb s VAL 11 N -1.60 1.43 0.06 3.52 -7.23 -1.26 -4.73 120.40 110.60 1aqb s VAL 11 Ca 0.46 -2.02 -0.31 0.00 -1.81 0.00 0.00 61.98 58.30 1aqb s VAL 11 Cb -0.16 -2.78 -0.08 0.00 0.56 0.00 0.00 36.38 33.92 1aqb s VAL 11 CO 0.21 -0.05 1.71 -0.75 -0.31 0.00 0.00 175.10 175.90 1aqb s LYS 12 N -3.83 4.18 0.31 4.82 2.47 -0.33 -4.91 119.74 122.45 1aqb s LYS 12 Ca 0.35 2.38 -0.29 0.00 -1.56 0.00 0.00 55.97 56.85 1aqb s LYS 12 Cb 0.08 -3.70 -0.10 0.00 -1.46 0.00 0.00 37.83 32.65 1aqb s LYS 12 CO 0.15 -0.78 1.25 -1.83 0.16 0.00 0.00 175.35 174.30 1aqb s GLU 13 N 3.00 4.43 -1.53 4.03 1.03 -1.26 -3.49 118.70 124.91 1aqb s GLU 13 Ca 0.76 2.10 -0.04 0.00 0.03 0.00 0.00 54.97 57.83 1aqb s GLU 13 Cb -0.40 -3.11 0.04 0.00 -0.80 0.00 0.00 34.13 29.86 1aqb s GLU 13 CO 0.33 -0.09 0.32 0.09 -1.33 0.00 0.00 175.26 174.59 1aqb n ASN 14 N 0.98 -0.31 -4.66 0.83 3.02 -1.26 -4.82 115.26 109.04 1aqb n ASN 14 Ca -0.00 -1.12 -0.46 0.00 -0.03 0.00 0.00 54.58 52.97 1aqb n ASN 14 Cb 0.43 -2.39 -0.04 0.00 -0.61 0.00 0.00 39.78 37.17 1aqb n ASN 14 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1aqb n PHE 15 N -4.45 2.15 -3.71 3.10 7.35 -1.23 -4.95 117.46 115.73 1aqb n PHE 15 Ca -0.24 0.37 -0.38 0.00 -0.76 0.00 0.00 57.45 56.44 1aqb n PHE 15 Cb 0.65 -2.49 -0.11 0.00 0.35 0.00 0.00 39.48 37.88 1aqb n PHE 15 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1aqb s ASP 16 N 0.62 5.39 0.25 -2.13 -1.08 -1.26 -4.84 116.67 113.61 1aqb s ASP 16 Ca 0.75 -1.67 -0.04 0.00 -0.52 0.00 0.00 52.55 51.07 1aqb s ASP 16 Cb -0.69 -1.89 0.39 0.00 -1.46 0.00 0.00 42.92 39.27 1aqb s ASP 16 CO 0.43 -0.50 1.82 0.11 0.52 0.00 0.00 175.17 177.55 1aqb h LYS 17 N 8.22 0.80 -0.49 4.34 1.57 -1.93 -2.25 116.57 126.82 1aqb h LYS 17 Ca -0.19 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.46 1aqb h LYS 17 Cb 1.07 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 1aqb h LYS 17 CO 0.71 0.53 -0.01 0.00 -0.57 0.00 0.00 179.45 180.10 1aqb h ALA 18 N 1.45 0.67 0.00 3.86 0.00 -1.98 -2.71 119.26 120.54 1aqb h ALA 18 Ca 0.40 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1aqb h ALA 18 Cb 0.34 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1aqb h ALA 18 CO -0.24 0.49 -0.14 0.00 0.00 0.00 0.00 179.25 179.36 1aqb h ARG 19 N 0.74 0.00 0.00 0.00 3.08 -1.93 -1.98 114.38 114.28 1aqb h ARG 19 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1aqb h ARG 19 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1aqb h ARG 19 CO 0.03 0.14 -0.21 0.34 -1.07 0.00 0.00 179.97 179.20 1aqb n PHE 20 N -3.90 0.21 -0.90 3.04 7.35 -0.87 -4.86 117.46 117.52 1aqb n PHE 20 Ca -0.02 0.06 -0.31 0.00 -0.76 0.00 0.00 57.45 56.42 1aqb n PHE 20 Cb 0.23 -0.52 0.14 0.00 0.35 0.00 0.00 39.48 39.68 1aqb n PHE 20 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1aqb s SER 21 N -3.37 3.48 0.00 -2.13 1.04 -0.75 -4.80 113.70 107.17 1aqb s SER 21 Ca 0.12 2.05 0.00 0.00 0.48 0.00 0.00 55.95 58.60 1aqb s SER 21 Cb 0.17 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.74 1aqb s SER 21 CO 0.61 -2.73 0.00 0.61 0.98 0.00 0.00 173.24 172.71 1aqb n GLY 22 N -0.31 -0.94 3.71 7.32 0.00 -0.58 -4.91 105.19 109.49 1aqb n GLY 22 Ca 0.11 -2.13 -0.40 0.00 0.00 0.00 0.00 46.02 43.60 1aqb n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aqb s THR 23 N 0.00 4.99 -0.04 2.61 2.01 -1.26 -0.60 115.64 123.35 1aqb s THR 23 Ca 0.00 1.60 0.02 0.00 0.31 0.00 0.00 61.69 63.62 1aqb s THR 23 Cb 0.00 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.41 1aqb s THR 23 CO 0.00 0.21 -0.09 0.26 -0.69 0.00 0.00 174.62 174.31 1aqb s TRP 24 N 0.97 1.04 -0.24 4.92 0.52 -0.02 -4.71 118.94 121.43 1aqb s TRP 24 Ca 0.41 -0.30 -0.11 0.00 0.02 0.00 0.00 56.10 56.12 1aqb s TRP 24 Cb -0.18 -0.78 -0.05 0.00 -1.15 0.00 0.00 33.47 31.31 1aqb s TRP 24 CO 0.20 -0.16 0.19 0.71 0.02 0.00 0.00 176.95 177.90 1aqb s TYR 25 N 0.46 3.32 0.03 -1.98 2.02 -0.45 -0.97 117.35 119.78 1aqb s TYR 25 Ca -0.08 0.27 -0.30 0.00 -0.37 0.00 0.00 57.07 56.59 1aqb s TYR 25 Cb -0.12 -2.30 -0.04 0.00 -0.40 0.00 0.00 41.96 39.10 1aqb s TYR 25 CO 0.01 0.06 1.07 0.00 -1.57 0.00 0.00 175.55 175.12 1aqb s ALA 26 N 1.08 3.26 -0.17 3.71 0.00 -0.13 -0.93 121.76 128.57 1aqb s ALA 26 Ca 0.09 0.67 0.15 0.00 0.00 0.00 0.00 51.96 52.86 1aqb s ALA 26 Cb -0.14 -3.38 -0.21 0.00 0.00 0.00 0.00 23.12 19.40 1aqb s ALA 26 CO 0.05 -0.30 0.05 -1.33 0.00 0.00 0.00 175.76 174.22 1aqb n MET 27 N 3.81 1.12 -3.52 0.00 2.81 0.17 -4.69 117.12 116.82 1aqb n MET 27 Ca 0.07 -0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.84 1aqb n MET 27 Cb 0.49 -1.45 -0.04 0.00 -0.71 0.00 0.00 33.22 31.52 1aqb n MET 27 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1aqb s ALA 28 N -2.42 -1.33 0.02 3.04 0.00 -1.16 -0.88 121.76 119.02 1aqb s ALA 28 Ca -0.10 0.36 -0.17 0.00 0.00 0.00 0.00 51.96 52.06 1aqb s ALA 28 Cb 0.05 0.69 0.03 0.00 0.00 0.00 0.00 23.12 23.89 1aqb s ALA 28 CO 0.70 -0.66 0.37 -1.59 0.00 0.00 0.00 175.76 174.59 1aqb s LYS 29 N -3.41 0.82 -0.28 0.00 -2.85 -0.20 -0.95 119.74 112.86 1aqb s LYS 29 Ca -0.00 -0.28 -0.07 0.00 -1.00 0.00 0.00 55.97 54.61 1aqb s LYS 29 Cb 0.00 0.36 -0.01 0.00 -2.06 0.00 0.00 37.83 36.13 1aqb s LYS 29 CO -0.10 -0.26 0.09 0.21 0.10 0.00 0.00 175.35 175.39 1aqb s LYS 30 N -1.99 3.36 0.37 1.78 2.36 0.17 -0.90 119.74 124.90 1aqb s LYS 30 Ca -0.09 -0.68 -0.25 0.00 -2.55 0.00 0.00 55.97 52.41 1aqb s LYS 30 Cb -0.02 -3.38 -0.10 0.00 -1.05 0.00 0.00 37.83 33.29 1aqb s LYS 30 CO 0.01 -0.33 0.99 -0.51 1.55 0.00 0.00 175.35 177.06 1aqb s ASP 31 N 1.56 7.05 0.36 1.43 1.01 -1.26 -2.24 116.67 124.57 1aqb s ASP 31 Ca 0.05 1.91 0.00 0.00 0.71 0.00 0.00 52.55 55.21 1aqb s ASP 31 Cb -0.16 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.19 1aqb s ASP 31 CO 0.03 -0.28 0.00 -0.81 0.21 0.00 0.00 175.17 174.32 1aqb n PRO 32 N 0.16 0.73 -2.68 8.23 -0.04 -1.19 -4.72 135.00 135.50 1aqb n PRO 32 Ca 0.04 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.16 1aqb n PRO 32 Cb 0.50 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.91 1aqb n PRO 32 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1aqb s GLU 33 N -2.07 4.10 0.73 0.54 0.41 -1.26 -4.92 118.70 116.22 1aqb s GLU 33 Ca 0.00 1.27 0.00 0.00 -0.41 0.00 0.00 54.97 55.83 1aqb s GLU 33 Cb 0.00 -2.25 0.00 0.00 -1.78 0.00 0.00 34.13 30.10 1aqb s GLU 33 CO 0.00 -0.16 0.00 0.41 -0.49 0.00 0.00 175.26 175.02 1aqb n GLY 34 N -0.27 -1.84 3.74 -1.39 0.00 -1.26 -4.91 105.19 99.27 1aqb n GLY 34 Ca 0.07 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 1aqb n GLY 34 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1aqb s LEU 35 N 0.00 4.39 0.25 0.99 2.96 -1.26 -5.02 118.68 121.00 1aqb s LEU 35 Ca 0.00 2.55 -0.19 0.00 -0.22 0.00 0.00 54.13 56.27 1aqb s LEU 35 Cb 0.00 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 43.10 1aqb s LEU 35 CO 0.00 -0.65 0.64 0.12 -1.32 0.00 0.00 176.35 175.14 1aqb s PHE 36 N 0.19 -0.11 0.28 5.38 5.36 -1.26 -5.05 117.98 122.77 1aqb s PHE 36 Ca 0.60 -0.29 -0.30 0.00 -0.96 0.00 0.00 56.93 55.98 1aqb s PHE 36 Cb -0.40 0.56 -0.10 0.00 -0.34 0.00 0.00 43.02 42.74 1aqb s PHE 36 CO 0.40 -1.12 1.40 -0.51 -1.46 0.00 0.00 175.22 173.93 1aqb s LEU 37 N -2.92 4.39 -0.17 6.12 1.43 -1.26 -4.53 118.68 121.75 1aqb s LEU 37 Ca 0.12 2.69 -0.15 0.00 -1.03 0.00 0.00 54.13 55.76 1aqb s LEU 37 Cb -0.04 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.50 1aqb s LEU 37 CO 0.04 -0.66 -0.29 0.00 0.23 0.00 0.00 176.35 175.67 1aqb n GLN 38 N 1.81 0.51 -2.90 1.70 1.13 0.68 -5.01 117.38 115.29 1aqb n GLN 38 Ca 0.05 0.32 -0.07 0.00 -1.94 0.00 0.00 57.00 55.36 1aqb n GLN 38 Cb 0.41 -1.52 0.01 0.00 0.11 0.00 0.00 30.24 29.25 1aqb n GLN 38 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1aqb n ASP 39 N -4.51 -1.39 -3.69 1.08 5.68 -1.22 -4.87 116.55 107.63 1aqb n ASP 39 Ca -0.13 -2.10 -0.25 0.00 -0.50 0.00 0.00 54.79 51.81 1aqb n ASP 39 Cb 0.44 2.36 0.06 0.00 -1.14 0.00 0.00 41.12 42.84 1aqb n ASP 39 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1aqb n ASN 40 N -1.44 -5.31 -4.58 -1.12 3.02 0.32 -0.65 115.26 105.50 1aqb n ASN 40 Ca -0.05 -0.64 -0.40 0.00 -0.03 0.00 0.00 54.58 53.47 1aqb n ASN 40 Cb 0.39 -4.64 -0.09 0.00 -0.61 0.00 0.00 39.78 34.84 1aqb n ASN 40 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1aqb s ILE 41 N -3.33 5.12 -0.04 2.41 1.01 -1.26 -4.02 121.20 121.09 1aqb s ILE 41 Ca 0.54 0.44 0.01 0.00 0.00 0.00 0.00 60.65 61.64 1aqb s ILE 41 Cb -0.25 -3.80 0.02 0.00 0.01 0.00 0.00 42.46 38.44 1aqb s ILE 41 CO 0.77 0.00 -0.04 -0.69 0.00 0.00 0.00 174.94 174.98 1aqb s VAL 42 N 2.17 0.50 0.07 2.92 1.01 -0.95 -0.96 120.40 125.16 1aqb s VAL 42 Ca 0.16 -0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.14 1aqb s VAL 42 Cb -0.16 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 1aqb s VAL 42 CO 0.11 0.22 -0.23 0.00 0.00 0.00 0.00 175.10 175.20 1aqb s ALA 43 N 0.99 2.01 -0.14 5.51 0.00 -0.14 -0.99 121.76 129.00 1aqb s ALA 43 Ca -0.10 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.63 1aqb s ALA 43 Cb -0.14 -0.36 0.03 0.00 0.00 0.00 0.00 23.12 22.64 1aqb s ALA 43 CO -0.00 0.45 -0.11 -2.00 0.00 0.00 0.00 175.76 174.09 1aqb s GLU 44 N -1.51 1.99 0.02 0.00 2.12 0.82 -0.84 118.70 121.30 1aqb s GLU 44 Ca 0.10 -0.48 -0.05 0.00 0.36 0.00 0.00 54.97 54.90 1aqb s GLU 44 Cb -0.10 -1.96 -0.05 0.00 0.26 0.00 0.00 34.13 32.29 1aqb s GLU 44 CO 0.03 -0.27 0.25 -0.06 -0.54 0.00 0.00 175.26 174.68 1aqb s PHE 45 N 1.56 3.56 0.07 5.30 0.40 0.23 -1.49 117.98 127.60 1aqb s PHE 45 Ca 0.04 0.49 -0.06 0.00 -0.60 0.00 0.00 56.93 56.80 1aqb s PHE 45 Cb -0.13 -1.93 -0.01 0.00 0.51 0.00 0.00 43.02 41.45 1aqb s PHE 45 CO -0.10 0.60 0.12 -1.12 0.70 0.00 0.00 175.22 175.43 1aqb s SER 46 N -1.90 0.21 -0.09 1.36 0.01 0.25 -1.52 113.70 112.01 1aqb s SER 46 Ca 0.29 -0.69 0.01 0.00 1.31 0.00 0.00 55.95 56.88 1aqb s SER 46 Cb -0.13 0.28 0.02 0.00 0.21 0.00 0.00 66.02 66.41 1aqb s SER 46 CO 0.18 -0.65 -0.10 -0.69 0.41 0.00 0.00 173.24 172.40 1aqb s VAL 47 N -3.55 1.06 0.90 3.43 1.01 -1.26 -1.24 120.40 120.75 1aqb s VAL 47 Ca 0.03 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 61.49 1aqb s VAL 47 Cb 0.04 -1.03 0.21 0.00 0.00 0.00 0.00 36.38 35.59 1aqb s VAL 47 CO -0.09 0.36 1.23 -0.90 0.00 0.00 0.00 175.10 175.70 1aqb n ASP 48 N 4.45 0.11 -0.30 3.32 5.68 -0.76 -4.90 116.55 124.15 1aqb n ASP 48 Ca -0.17 -1.46 0.06 0.00 -0.50 0.00 0.00 54.79 52.73 1aqb n ASP 48 Cb 0.51 -0.94 0.27 0.00 -1.14 0.00 0.00 41.12 39.82 1aqb n ASP 48 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1aqb h GLU 49 N 0.00 0.91 -0.06 0.11 4.57 -2.01 -0.78 114.58 117.32 1aqb h GLU 49 Ca -0.40 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 1aqb h GLU 49 Cb 1.10 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 1aqb h GLU 49 CO 0.28 0.60 0.00 0.09 -1.18 0.00 0.00 179.01 178.81 1aqb n ASN 50 N -4.53 0.71 0.00 1.04 5.03 -1.26 -4.89 115.26 111.36 1aqb n ASN 50 Ca 0.15 -1.49 0.00 0.00 0.87 0.00 0.00 54.58 54.12 1aqb n ASN 50 Cb 0.29 -0.04 0.00 0.00 -1.02 0.00 0.00 39.78 39.01 1aqb n ASN 50 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1aqb n GLY 51 N 0.96 0.61 3.68 7.41 0.00 -0.30 -5.02 105.19 112.54 1aqb n GLY 51 Ca 0.16 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1aqb n GLY 51 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1aqb s HIS 52 N -2.00 3.46 0.01 1.61 3.76 -1.26 -4.79 115.29 116.08 1aqb s HIS 52 Ca 0.00 1.46 -0.14 0.00 -0.15 0.00 0.00 55.06 56.24 1aqb s HIS 52 Cb 0.00 -3.14 -0.06 0.00 1.11 0.00 0.00 32.58 30.49 1aqb s HIS 52 CO 0.00 -0.27 0.40 1.41 -0.85 0.00 0.00 174.74 175.43 1aqb s MET 53 N 2.23 3.87 0.16 1.40 1.75 -1.26 -1.82 119.30 125.63 1aqb s MET 53 Ca 0.44 0.35 -0.02 0.00 -1.25 0.00 0.00 55.69 55.21 1aqb s MET 53 Cb -0.17 -3.18 -0.04 0.00 2.84 0.00 0.00 34.83 34.28 1aqb s MET 53 CO 0.14 0.67 0.11 -1.54 -0.65 0.00 0.00 175.02 173.76 1aqb s SER 54 N -1.19 0.22 0.05 1.11 1.04 -0.38 -1.62 113.70 112.94 1aqb s SER 54 Ca 0.25 -1.24 -0.12 0.00 0.48 0.00 0.00 55.95 55.32 1aqb s SER 54 Cb -0.16 0.35 0.01 0.00 0.10 0.00 0.00 66.02 66.32 1aqb s SER 54 CO 0.14 -0.79 0.26 0.00 0.98 0.00 0.00 173.24 173.83 1aqb s ALA 55 N -4.08 -0.55 0.14 5.32 0.00 0.48 -0.59 121.76 122.48 1aqb s ALA 55 Ca 0.29 -0.17 0.08 0.00 0.00 0.00 0.00 51.96 52.17 1aqb s ALA 55 Cb 0.07 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 1aqb s ALA 55 CO 0.06 -0.43 -0.12 0.95 0.00 0.00 0.00 175.76 176.22 1aqb s THR 56 N -2.83 3.16 -0.09 0.00 -4.23 -0.56 -0.64 115.64 110.45 1aqb s THR 56 Ca -0.03 -1.49 -0.11 0.00 -1.18 0.00 0.00 61.69 58.88 1aqb s THR 56 Cb 0.00 -2.51 0.03 0.00 1.34 0.00 0.00 72.50 71.36 1aqb s THR 56 CO -0.05 0.02 0.29 0.00 -0.54 0.00 0.00 174.62 174.34 1aqb s ALA 57 N -1.40 -0.72 0.14 3.99 0.00 -0.45 -0.12 121.76 123.20 1aqb s ALA 57 Ca 0.22 0.69 0.10 0.00 0.00 0.00 0.00 51.96 52.97 1aqb s ALA 57 Cb -0.10 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1aqb s ALA 57 CO 0.13 -0.17 -0.24 0.15 0.00 0.00 0.00 175.76 175.64 1aqb s LYS 58 N -0.20 1.36 -0.12 0.00 -0.14 -0.16 -0.62 119.74 119.86 1aqb s LYS 58 Ca -0.03 -1.36 -0.33 0.00 -1.36 0.00 0.00 55.97 52.88 1aqb s LYS 58 Cb -0.03 -1.73 0.13 0.00 -1.68 0.00 0.00 37.83 34.52 1aqb s LYS 58 CO 0.01 0.40 1.21 0.20 -0.76 0.00 0.00 175.35 176.41 1aqb s GLY 59 N -2.24 -0.33 0.03 -3.33 0.00 -0.89 -2.25 107.32 98.31 1aqb s GLY 59 Ca 0.14 1.27 -0.23 0.00 0.00 0.00 0.00 44.72 45.91 1aqb s GLY 59 CO 0.07 0.39 0.67 -1.60 0.00 0.00 0.00 173.10 172.63 1aqb s ARG 60 N -2.48 4.40 -0.03 2.90 3.52 0.18 -0.47 118.95 126.97 1aqb s ARG 60 Ca 0.11 0.89 0.05 0.00 -0.13 0.00 0.00 55.73 56.65 1aqb s ARG 60 Cb 0.01 -3.34 -0.01 0.00 -1.56 0.00 0.00 34.95 30.04 1aqb s ARG 60 CO -0.04 0.35 -0.20 0.08 -0.81 0.00 0.00 175.30 174.68 1aqb s VAL 61 N -0.22 1.58 -0.29 7.11 1.01 0.52 -0.23 120.40 129.88 1aqb s VAL 61 Ca 0.34 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 61.39 1aqb s VAL 61 Cb -0.19 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 1aqb s VAL 61 CO 0.20 0.45 0.18 -0.60 0.00 0.00 0.00 175.10 175.33 1aqb s ARG 62 N -0.26 3.82 0.88 2.72 3.52 -1.26 -1.18 118.95 127.19 1aqb s ARG 62 Ca 0.02 -0.40 -0.12 0.00 -0.13 0.00 0.00 55.73 55.10 1aqb s ARG 62 Cb -0.10 -3.63 0.12 0.00 -1.56 0.00 0.00 34.95 29.78 1aqb s ARG 62 CO 0.01 -0.23 1.10 -0.51 -0.81 0.00 0.00 175.30 174.86 1aqb s LEU 63 N 1.73 2.29 0.46 -0.88 1.43 0.15 -4.83 118.68 119.03 1aqb s LEU 63 Ca 0.07 1.38 0.29 0.00 -1.03 0.00 0.00 54.13 54.84 1aqb s LEU 63 Cb -0.16 -3.83 1.59 0.00 0.03 0.00 0.00 46.19 43.82 1aqb s LEU 63 CO 0.10 -2.48 1.89 0.25 0.23 0.00 0.00 176.35 176.34 1aqb h LEU 64 N -1.44 0.00 0.00 1.79 6.46 -1.98 0.52 115.31 120.67 1aqb h LEU 64 Ca -0.49 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.24 1aqb h LEU 64 Cb 1.29 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.21 1aqb h LEU 64 CO 0.57 0.00 -0.54 -1.13 -0.62 0.00 0.00 178.44 176.72 1aqb h ASN 65 N 0.00 0.00 0.00 1.25 -1.24 -2.03 -3.47 115.58 110.09 1aqb h ASN 65 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1aqb h ASN 65 Cb 0.10 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.15 1aqb h ASN 65 CO 0.00 0.11 0.00 -3.20 -1.29 0.00 0.00 177.43 173.05 1aqb n ASN 66 N -2.95 -0.47 -4.63 1.15 2.85 0.18 -5.02 115.26 106.37 1aqb n ASN 66 Ca 0.01 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.05 1aqb n ASN 66 Cb 0.59 -0.08 -0.02 0.00 1.24 0.00 0.00 39.78 41.51 1aqb n ASN 66 CO 0.00 0.00 0.00 0.86 -2.11 0.00 0.00 177.26 176.01 1aqb s TRP 67 N -2.56 2.43 -0.10 1.20 -0.11 -1.25 -4.74 118.94 113.80 1aqb s TRP 67 Ca 0.00 0.72 -0.23 0.00 1.22 0.00 0.00 56.10 57.81 1aqb s TRP 67 Cb 0.00 -3.91 -0.03 0.00 -1.50 0.00 0.00 33.47 28.03 1aqb s TRP 67 CO 0.00 -2.30 0.70 -0.51 -4.62 0.00 0.00 176.95 170.22 1aqb s ASP 68 N 3.36 6.92 0.05 5.86 1.01 -1.26 0.33 116.67 132.95 1aqb s ASP 68 Ca 0.63 1.12 0.00 0.00 0.71 0.00 0.00 52.55 55.01 1aqb s ASP 68 Cb -0.21 -2.40 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 1aqb s ASP 68 CO 0.25 -0.18 -0.05 0.68 0.21 0.00 0.00 175.17 176.09 1aqb s VAL 69 N 1.17 0.36 -0.49 -1.27 -7.23 -0.32 -4.99 120.40 107.63 1aqb s VAL 69 Ca 0.36 -1.49 -0.17 0.00 -1.81 0.00 0.00 61.98 58.87 1aqb s VAL 69 Cb -0.17 -1.08 0.07 0.00 0.56 0.00 0.00 36.38 35.75 1aqb s VAL 69 CO 0.16 -0.74 0.52 0.00 -0.31 0.00 0.00 175.10 174.73 1aqb s ALA 71 N 2.16 3.32 -0.37 0.00 0.00 0.38 -4.90 121.76 122.36 1aqb s ALA 71 Ca 0.10 0.40 -0.06 0.00 0.00 0.00 0.00 51.96 52.39 1aqb s ALA 71 Cb -0.22 -3.11 0.06 0.00 0.00 0.00 0.00 23.12 19.86 1aqb s ALA 71 CO 0.09 0.04 0.16 -0.51 0.00 0.00 0.00 175.76 175.54 1aqb s ASP 72 N -0.08 5.38 0.14 0.00 1.11 -1.26 -2.09 116.67 119.87 1aqb s ASP 72 Ca 0.42 -1.38 0.06 0.00 0.18 0.00 0.00 52.55 51.82 1aqb s ASP 72 Cb -0.22 -1.89 -0.04 0.00 1.07 0.00 0.00 42.92 41.85 1aqb s ASP 72 CO 0.26 -0.41 0.05 -0.04 1.18 0.00 0.00 175.17 176.20 1aqb s MET 73 N 1.36 2.62 -0.02 8.23 -1.94 0.21 -1.01 119.30 128.76 1aqb s MET 73 Ca 0.01 -0.94 0.03 0.00 -1.71 0.00 0.00 55.69 53.08 1aqb s MET 73 Cb -0.21 -2.52 -0.00 0.00 2.01 0.00 0.00 34.83 34.11 1aqb s MET 73 CO 0.01 0.49 -0.11 0.08 -0.01 0.00 0.00 175.02 175.48 1aqb s VAL 74 N -1.60 0.93 0.02 -6.03 1.01 -0.37 -1.34 120.40 113.01 1aqb s VAL 74 Ca 0.28 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1aqb s VAL 74 Cb -0.10 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 1aqb s VAL 74 CO 0.20 0.27 -0.04 -0.83 0.00 0.00 0.00 175.10 174.71 1aqb s GLY 75 N -0.08 0.25 -0.03 4.51 0.00 0.18 -1.41 107.32 110.75 1aqb s GLY 75 Ca 0.01 -0.44 0.06 0.00 0.00 0.00 0.00 44.72 44.35 1aqb s GLY 75 CO 0.00 -0.47 -0.22 -0.51 0.00 0.00 0.00 173.10 171.90 1aqb s THR 76 N -0.91 1.76 -0.11 0.90 -4.23 0.07 -0.39 115.64 112.74 1aqb s THR 76 Ca -0.08 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 1aqb s THR 76 Cb -0.07 -1.47 -0.02 0.00 1.34 0.00 0.00 72.50 72.28 1aqb s THR 76 CO -0.00 0.50 -0.11 -0.36 -0.54 0.00 0.00 174.62 174.10 1aqb s PHE 77 N -0.37 2.83 -0.23 3.99 0.40 -0.64 -1.12 117.98 122.83 1aqb s PHE 77 Ca 0.05 -0.38 -0.09 0.00 -0.60 0.00 0.00 56.93 55.90 1aqb s PHE 77 Cb -0.10 -1.79 -0.04 0.00 0.51 0.00 0.00 43.02 41.60 1aqb s PHE 77 CO 0.00 -0.01 0.12 0.99 0.70 0.00 0.00 175.22 177.02 1aqb s THR 78 N -0.07 5.00 0.66 0.64 2.01 0.65 -4.32 115.64 120.22 1aqb s THR 78 Ca -0.01 0.06 -0.17 0.00 0.31 0.00 0.00 61.69 61.87 1aqb s THR 78 Cb -0.14 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.05 1aqb s THR 78 CO 0.03 0.36 1.21 -1.81 -0.69 0.00 0.00 174.62 173.73 1aqb s ASP 79 N 1.08 4.69 0.24 3.53 1.11 -1.26 -1.62 116.67 124.44 1aqb s ASP 79 Ca 0.06 2.37 0.02 0.00 0.18 0.00 0.00 52.55 55.18 1aqb s ASP 79 Cb -0.14 -2.59 -0.01 0.00 1.07 0.00 0.00 42.92 41.25 1aqb s ASP 79 CO 0.04 -1.93 0.07 0.35 1.18 0.00 0.00 175.17 174.88 1aqb n THR 80 N -2.18 0.00 0.29 -1.27 -2.24 -1.21 -4.87 114.28 102.80 1aqb n THR 80 Ca 0.14 -1.35 0.10 0.00 -2.27 0.00 0.00 64.05 60.66 1aqb n THR 80 Cb 0.50 0.45 0.46 0.00 -2.10 0.00 0.00 70.33 69.64 1aqb n THR 80 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1aqb n GLU 81 N -0.55 0.14 -4.01 -0.78 0.00 -1.26 -4.30 120.64 109.87 1aqb n GLU 81 Ca -0.05 0.49 -0.34 0.00 0.00 0.00 0.00 57.16 57.26 1aqb n GLU 81 Cb 0.35 -1.83 -0.15 0.00 0.00 0.00 0.00 31.44 29.81 1aqb n GLU 81 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1aqb s ASP 82 N -3.93 3.84 0.61 -1.84 -1.08 -1.26 -4.99 116.67 108.02 1aqb s ASP 82 Ca 0.02 -0.65 0.28 0.00 -0.52 0.00 0.00 52.55 51.68 1aqb s ASP 82 Cb 0.07 -1.61 1.39 0.00 -1.46 0.00 0.00 42.92 41.31 1aqb s ASP 82 CO 0.27 -0.04 1.80 -0.65 0.52 0.00 0.00 175.17 177.07 1aqb h PRO 83 N 8.01 0.00 -0.24 4.34 0.10 -1.91 -0.99 132.00 141.30 1aqb h PRO 83 Ca -0.40 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.70 1aqb h PRO 83 Cb 1.14 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.24 1aqb h PRO 83 CO 0.61 0.00 0.00 0.00 0.10 0.00 0.00 178.00 178.71 1aqb n ALA 84 N -2.21 2.43 -3.93 -0.75 0.00 -1.26 -4.61 120.51 110.19 1aqb n ALA 84 Ca 0.07 -0.87 -0.34 0.00 0.00 0.00 0.00 53.44 52.31 1aqb n ALA 84 Cb 0.71 -0.82 -0.15 0.00 0.00 0.00 0.00 19.45 19.19 1aqb n ALA 84 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1aqb s LYS 85 N -1.65 3.08 0.33 0.00 1.02 -0.38 -1.12 119.74 121.03 1aqb s LYS 85 Ca 0.33 -0.78 0.08 0.00 0.02 0.00 0.00 55.97 55.62 1aqb s LYS 85 Cb 0.21 -2.72 -0.06 0.00 -0.52 0.00 0.00 37.83 34.74 1aqb s LYS 85 CO 0.30 -0.22 -0.06 -0.06 -0.92 0.00 0.00 175.35 174.39 1aqb s PHE 86 N 1.34 2.22 -0.22 3.18 0.08 -0.22 -3.35 117.98 121.01 1aqb s PHE 86 Ca 0.05 -0.62 -0.06 0.00 0.12 0.00 0.00 56.93 56.42 1aqb s PHE 86 Cb -0.14 -1.32 -0.02 0.00 -0.57 0.00 0.00 43.02 40.98 1aqb s PHE 86 CO -0.10 0.42 0.01 0.15 -0.10 0.00 0.00 175.22 175.61 1aqb s LYS 87 N -3.68 3.57 -0.31 0.44 -0.14 -0.64 -0.58 119.74 118.40 1aqb s LYS 87 Ca 0.32 -0.53 -0.07 0.00 -1.36 0.00 0.00 55.97 54.33 1aqb s LYS 87 Cb 0.04 -3.15 0.02 0.00 -1.68 0.00 0.00 37.83 33.06 1aqb s LYS 87 CO 0.15 -0.11 0.09 1.41 -0.76 0.00 0.00 175.35 176.12 1aqb s MET 88 N 1.35 2.90 -0.14 1.68 -2.45 0.85 -0.25 119.30 123.23 1aqb s MET 88 Ca 0.04 -0.99 -0.16 0.00 -1.25 0.00 0.00 55.69 53.34 1aqb s MET 88 Cb -0.15 -3.40 -0.04 0.00 1.25 0.00 0.00 34.83 32.49 1aqb s MET 88 CO 0.01 -0.53 0.38 0.21 1.05 0.00 0.00 175.02 176.14 1aqb s LYS 89 N 1.46 4.29 0.07 4.11 2.20 -0.28 -0.49 119.74 131.10 1aqb s LYS 89 Ca 0.01 0.27 0.02 0.00 -0.36 0.00 0.00 55.97 55.91 1aqb s LYS 89 Cb -0.18 -3.43 -0.03 0.00 -1.51 0.00 0.00 37.83 32.68 1aqb s LYS 89 CO 0.02 0.21 -0.07 1.52 -0.36 0.00 0.00 175.35 176.67 1aqb s TYR 90 N 0.52 0.80 0.21 4.03 1.13 -0.11 -0.75 117.35 123.20 1aqb s TYR 90 Ca 0.21 -0.71 -0.19 0.00 -1.41 0.00 0.00 57.07 54.97 1aqb s TYR 90 Cb -0.14 -0.47 0.03 0.00 -1.10 0.00 0.00 41.96 40.28 1aqb s TYR 90 CO 0.07 -0.11 0.59 1.67 -2.51 0.00 0.00 175.55 175.26 1aqb s TRP 91 N -2.51 -0.19 0.24 -3.49 -2.14 -0.50 -1.60 118.94 108.75 1aqb s TRP 91 Ca 0.01 -0.17 0.06 0.00 2.66 0.00 0.00 56.10 58.67 1aqb s TRP 91 Cb -0.02 0.50 -0.03 0.00 -3.10 0.00 0.00 33.47 30.81 1aqb s TRP 91 CO -0.02 -1.00 0.27 0.20 -2.66 0.00 0.00 176.95 173.74 1aqb s GLY 92 N -2.87 1.36 0.15 3.67 0.00 -1.25 -1.24 107.32 107.13 1aqb s GLY 92 Ca 0.09 -1.30 -0.08 0.00 0.00 0.00 0.00 44.72 43.43 1aqb s GLY 92 CO -0.01 -1.33 1.41 -2.08 0.00 0.00 0.00 173.10 171.09 1aqb h VAL 93 N 1.40 1.31 -3.34 1.40 2.07 -1.45 -3.42 116.25 114.22 1aqb h VAL 93 Ca -0.50 -1.88 -0.55 0.00 0.82 0.00 0.00 66.70 64.59 1aqb h VAL 93 Cb 1.23 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 32.81 1aqb h VAL 93 CO 0.61 0.59 0.44 0.00 0.02 0.00 0.00 177.57 179.24 1aqb s ALA 94 N -3.90 3.28 0.51 1.67 0.00 -1.26 -4.97 121.76 117.08 1aqb s ALA 94 Ca -0.09 0.44 0.19 0.00 0.00 0.00 0.00 51.96 52.50 1aqb s ALA 94 Cb 0.10 -3.36 1.28 0.00 0.00 0.00 0.00 23.12 21.14 1aqb s ALA 94 CO 0.87 -0.39 2.08 0.66 0.00 0.00 0.00 175.76 178.98 1aqb h SER 95 N 6.94 0.05 0.54 0.00 4.64 -2.01 -1.84 113.55 121.87 1aqb h SER 95 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1aqb h SER 95 Cb 1.19 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1aqb h SER 95 CO 0.80 0.03 -0.05 2.22 -0.87 0.00 0.00 176.83 178.96 1aqb n PHE 96 N -4.48 0.00 -2.41 4.77 1.16 -1.26 -4.85 117.46 110.39 1aqb n PHE 96 Ca 0.03 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.28 1aqb n PHE 96 Cb 0.29 -0.27 -0.03 0.00 -1.61 0.00 0.00 39.48 37.86 1aqb n PHE 96 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1aqb s LEU 97 N -2.59 3.68 0.53 5.98 1.43 -0.70 -4.98 118.68 122.04 1aqb s LEU 97 Ca 0.27 1.71 -0.22 0.00 -1.03 0.00 0.00 54.13 54.86 1aqb s LEU 97 Cb 0.20 -4.53 -0.05 0.00 0.03 0.00 0.00 46.19 41.84 1aqb s LEU 97 CO 0.48 -0.72 1.36 -1.58 0.23 0.00 0.00 176.35 176.12 1aqb s GLN 98 N -3.79 3.21 0.06 1.70 0.74 -1.26 -4.53 119.66 115.80 1aqb s GLN 98 Ca 0.62 2.23 0.08 0.00 0.05 0.00 0.00 55.36 58.34 1aqb s GLN 98 Cb -0.12 -2.30 -0.03 0.00 1.10 0.00 0.00 33.01 31.66 1aqb s GLN 98 CO 0.28 -1.13 -0.23 0.15 -0.55 0.00 0.00 175.29 173.81 1aqb s LYS 99 N -2.86 1.44 0.01 1.67 1.02 -1.26 -3.94 119.74 115.82 1aqb s LYS 99 Ca 0.70 -1.06 -0.05 0.00 0.02 0.00 0.00 55.97 55.58 1aqb s LYS 99 Cb -0.40 -1.64 0.02 0.00 -0.52 0.00 0.00 37.83 35.28 1aqb s LYS 99 CO 0.48 0.41 0.22 0.41 -0.92 0.00 0.00 175.35 175.95 1aqb n GLY 100 N 1.60 0.83 2.64 -3.33 0.00 -0.63 -5.00 105.19 101.30 1aqb n GLY 100 Ca -0.18 -0.91 -0.24 0.00 0.00 0.00 0.00 46.02 44.69 1aqb n GLY 100 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1aqb s ASN 101 N -1.50 1.97 0.15 1.61 -0.87 -1.26 -0.93 114.94 114.11 1aqb s ASN 101 Ca 0.05 -0.41 0.10 0.00 -1.57 0.00 0.00 52.86 51.03 1aqb s ASN 101 Cb -0.00 -0.16 -0.04 0.00 -0.02 0.00 0.00 41.25 41.03 1aqb s ASN 101 CO 0.00 -0.32 -0.22 -1.81 -2.57 0.00 0.00 177.10 172.18 1aqb s ASP 102 N 2.17 2.95 0.37 -1.22 1.01 0.35 -4.94 116.67 117.36 1aqb s ASP 102 Ca 0.03 -0.79 -0.28 0.00 0.71 0.00 0.00 52.55 52.22 1aqb s ASP 102 Cb -0.15 -0.19 -0.10 0.00 1.01 0.00 0.00 42.92 43.49 1aqb s ASP 102 CO -0.08 0.07 1.41 -1.81 0.21 0.00 0.00 175.17 174.97 1aqb s ASP 103 N -2.33 6.46 -0.29 0.27 1.01 -1.26 -0.10 116.67 120.43 1aqb s ASP 103 Ca 0.14 2.90 -0.02 0.00 0.71 0.00 0.00 52.55 56.28 1aqb s ASP 103 Cb -0.08 -2.66 0.09 0.00 1.01 0.00 0.00 42.92 41.28 1aqb s ASP 103 CO 0.07 -0.78 0.09 -2.28 0.21 0.00 0.00 175.17 172.48 1aqb s HIS 104 N -1.14 1.36 -0.11 4.23 2.46 0.26 -4.55 115.29 117.79 1aqb s HIS 104 Ca 0.52 -1.44 -0.02 0.00 0.47 0.00 0.00 55.06 54.59 1aqb s HIS 104 Cb -0.43 -1.46 -0.03 0.00 -0.13 0.00 0.00 32.58 30.53 1aqb s HIS 104 CO 0.58 -0.83 -0.04 -1.58 -2.47 0.00 0.00 174.74 170.41 1aqb s TRP 105 N 1.74 3.03 -0.57 3.88 0.52 -0.16 -1.06 118.94 126.33 1aqb s TRP 105 Ca 0.08 -0.06 -0.18 0.00 0.02 0.00 0.00 56.10 55.96 1aqb s TRP 105 Cb -0.17 -1.83 0.11 0.00 -1.15 0.00 0.00 33.47 30.43 1aqb s TRP 105 CO -0.24 0.22 0.61 0.42 0.02 0.00 0.00 176.95 177.97 1aqb s ILE 106 N -0.35 5.00 0.09 2.03 1.09 -0.27 -1.06 121.20 127.73 1aqb s ILE 106 Ca 0.06 -1.21 -0.16 0.00 -1.10 0.00 0.00 60.65 58.24 1aqb s ILE 106 Cb -0.12 -4.42 -0.08 0.00 -1.06 0.00 0.00 42.46 36.78 1aqb s ILE 106 CO 0.02 -1.00 1.44 0.40 -0.10 0.00 0.00 174.94 175.71 1aqb h ILE 107 N 5.91 1.30 -2.11 2.92 1.08 -1.41 -0.87 117.51 124.33 1aqb h ILE 107 Ca -0.30 -1.32 -0.05 0.00 -0.39 0.00 0.00 64.86 62.81 1aqb h ILE 107 Cb 1.09 1.53 -0.18 0.00 -3.07 0.00 0.00 36.82 36.19 1aqb h ILE 107 CO 1.07 0.42 0.21 -0.62 -0.69 0.00 0.00 178.15 178.54 1aqb s ASP 108 N -6.39 -0.63 -0.09 1.72 2.15 -1.19 -2.36 116.67 109.89 1aqb s ASP 108 Ca -0.13 0.61 -0.30 0.00 0.43 0.00 0.00 52.55 53.16 1aqb s ASP 108 Cb 0.08 0.53 0.11 0.00 -0.30 0.00 0.00 42.92 43.35 1aqb s ASP 108 CO 0.81 -0.64 0.90 0.28 -0.17 0.00 0.00 175.17 176.35 1aqb s THR 109 N -1.53 0.00 -1.14 1.71 -1.32 -1.26 -0.38 115.64 111.72 1aqb s THR 109 Ca -0.09 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 60.50 1aqb s THR 109 Cb -0.00 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.18 1aqb s THR 109 CO 0.06 0.00 1.05 -0.90 -2.21 0.00 0.00 174.62 172.62 1aqb n ASP 110 N 0.45 2.41 0.00 8.08 5.75 -1.01 -4.99 116.55 127.24 1aqb n ASP 110 Ca -0.11 -1.73 0.00 0.00 -0.01 0.00 0.00 54.79 52.94 1aqb n ASP 110 Cb 0.59 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1aqb n ASP 110 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1aqb n TYR 111 N 0.56 0.00 0.02 2.11 4.01 -1.26 -4.55 117.16 118.06 1aqb n TYR 111 Ca 0.09 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.93 1aqb n TYR 111 Cb 0.35 -0.02 -0.12 0.00 -0.31 0.00 0.00 39.34 39.24 1aqb n TYR 111 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1aqb n ASP 112 N 0.38 0.26 0.00 7.72 8.00 -1.26 -4.83 116.55 126.82 1aqb n ASP 112 Ca 0.00 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1aqb n ASP 112 Cb 0.00 1.50 0.00 0.00 -0.02 0.00 0.00 41.12 42.60 1aqb n ASP 112 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1aqb n THR 113 N -2.40 0.00 -4.17 -3.53 -2.24 -1.26 -4.68 114.28 96.00 1aqb n THR 113 Ca -0.04 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.64 1aqb n THR 113 Cb 0.58 -0.83 -0.10 0.00 -2.10 0.00 0.00 70.33 67.89 1aqb n THR 113 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1aqb s TYR 114 N -1.94 0.93 -0.09 4.78 1.13 -1.26 -1.76 117.35 119.13 1aqb s TYR 114 Ca 0.00 -1.14 -0.13 0.00 -1.41 0.00 0.00 57.07 54.39 1aqb s TYR 114 Cb 0.00 -0.54 0.03 0.00 -1.10 0.00 0.00 41.96 40.35 1aqb s TYR 114 CO 0.00 -0.40 0.33 0.00 -2.51 0.00 0.00 175.55 172.97 1aqb s ALA 115 N -3.90 -0.82 -0.19 9.51 0.00 -0.55 -2.41 121.76 123.41 1aqb s ALA 115 Ca 0.22 0.77 -0.00 0.00 0.00 0.00 0.00 51.96 52.95 1aqb s ALA 115 Cb 0.07 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.83 1aqb s ALA 115 CO 0.01 -0.19 -0.16 0.08 0.00 0.00 0.00 175.76 175.51 1aqb s VAL 116 N -0.25 2.46 0.20 0.00 1.01 0.49 -0.69 120.40 123.63 1aqb s VAL 116 Ca -0.04 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.22 1aqb s VAL 116 Cb -0.03 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1aqb s VAL 116 CO 0.02 0.51 -0.03 -1.58 0.00 0.00 0.00 175.10 174.01 1aqb s GLN 117 N 1.27 2.27 -0.01 2.72 -0.44 0.07 -1.12 119.66 124.41 1aqb s GLN 117 Ca 0.04 -1.24 -0.13 0.00 -2.50 0.00 0.00 55.36 51.53 1aqb s GLN 117 Cb -0.14 -2.24 0.02 0.00 -1.64 0.00 0.00 33.01 29.01 1aqb s GLN 117 CO -0.09 0.42 0.26 -0.47 0.50 0.00 0.00 175.29 175.92 1aqb s TYR 118 N -1.89 -0.12 -0.17 1.67 5.04 -0.23 -2.88 117.35 118.77 1aqb s TYR 118 Ca 0.28 0.17 -0.07 0.00 -2.44 0.00 0.00 57.07 55.00 1aqb s TYR 118 Cb -0.08 0.06 0.07 0.00 0.35 0.00 0.00 41.96 42.36 1aqb s TYR 118 CO 0.18 -0.36 0.38 0.45 -1.34 0.00 0.00 175.55 174.86 1aqb s SER 119 N -1.31 -0.25 -0.30 4.32 0.15 -0.49 -0.98 113.70 114.83 1aqb s SER 119 Ca -0.14 0.85 -0.09 0.00 0.70 0.00 0.00 55.95 57.28 1aqb s SER 119 Cb -0.06 0.96 -0.01 0.00 -1.71 0.00 0.00 66.02 65.20 1aqb s SER 119 CO 0.03 -0.21 0.13 0.00 1.20 0.00 0.00 173.24 174.39 1aqb h ARG 121 N 8.31 0.00 -3.00 0.00 3.08 -1.13 -3.44 114.38 118.20 1aqb h ARG 121 Ca -0.33 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.49 1aqb h ARG 121 Cb 1.15 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 30.88 1aqb h ARG 121 CO 0.61 0.68 -0.55 -1.17 -1.07 0.00 0.00 179.97 178.47 1aqb s LEU 122 N -6.33 0.07 0.09 3.04 2.96 -1.15 -4.97 118.68 112.40 1aqb s LEU 122 Ca -0.02 0.48 0.01 0.00 -0.22 0.00 0.00 54.13 54.38 1aqb s LEU 122 Cb 0.09 0.58 -0.04 0.00 0.50 0.00 0.00 46.19 47.32 1aqb s LEU 122 CO 0.82 -0.21 0.22 -1.10 -1.32 0.00 0.00 176.35 174.76 1aqb s GLN 123 N 1.91 3.39 0.74 1.98 -0.21 -1.26 0.12 119.66 126.32 1aqb s GLN 123 Ca -0.03 -0.52 -0.12 0.00 0.02 0.00 0.00 55.36 54.71 1aqb s GLN 123 Cb -0.11 -2.98 0.03 0.00 1.00 0.00 0.00 33.01 30.95 1aqb s GLN 123 CO -0.08 0.57 1.11 -0.80 -2.12 0.00 0.00 175.29 173.98 1aqb s ASN 124 N -2.76 5.12 0.52 5.90 0.01 0.84 -4.71 114.94 119.86 1aqb s ASN 124 Ca 0.34 1.12 0.20 0.00 -0.71 0.00 0.00 52.86 53.81 1aqb s ASN 124 Cb -0.12 -1.86 1.36 0.00 0.41 0.00 0.00 41.25 41.04 1aqb s ASN 124 CO 0.28 -1.55 2.13 -0.07 -1.51 0.00 0.00 177.10 176.38 1aqb h LEU 125 N -0.80 0.00 -0.13 0.60 3.38 -1.99 -1.83 115.31 114.54 1aqb h LEU 125 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1aqb h LEU 125 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1aqb h LEU 125 CO 0.63 0.06 0.00 -0.90 0.09 0.00 0.00 178.44 178.32 1aqb n ASP 126 N -4.22 0.19 0.00 -0.43 5.68 -1.26 -4.88 116.55 111.62 1aqb n ASP 126 Ca -0.03 -1.73 0.00 0.00 -0.50 0.00 0.00 54.79 52.53 1aqb n ASP 126 Cb 0.14 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 1aqb n ASP 126 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1aqb n GLY 127 N 0.69 2.06 3.85 6.12 0.00 -0.69 -4.88 105.19 112.34 1aqb n GLY 127 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1aqb n GLY 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1aqb s THR 128 N -2.50 3.42 -0.16 2.61 -4.23 -1.26 -1.83 115.64 111.69 1aqb s THR 128 Ca 0.00 0.46 -0.18 0.00 -1.18 0.00 0.00 61.69 60.79 1aqb s THR 128 Cb 0.00 -3.34 -0.04 0.00 1.34 0.00 0.00 72.50 70.46 1aqb s THR 128 CO 0.00 -0.60 0.47 0.00 -0.54 0.00 0.00 174.62 173.95 1aqb h ALA 130 N 7.03 0.68 -2.89 0.00 0.00 0.63 -3.45 119.26 121.27 1aqb h ALA 130 Ca -0.38 -1.25 -0.42 0.00 0.00 0.00 0.00 54.91 52.86 1aqb h ALA 130 Cb 1.17 0.32 -0.39 0.00 0.00 0.00 0.00 17.79 18.89 1aqb h ALA 130 CO 0.75 1.40 -0.71 0.34 0.00 0.00 0.00 179.25 181.03 1aqb s ASP 131 N -6.17 2.09 0.17 0.00 2.15 -1.01 -4.97 116.67 108.93 1aqb s ASP 131 Ca -0.03 -0.52 0.05 0.00 0.43 0.00 0.00 52.55 52.49 1aqb s ASP 131 Cb 0.08 -0.06 -0.05 0.00 -0.30 0.00 0.00 42.92 42.60 1aqb s ASP 131 CO 0.82 -0.35 -0.10 -0.94 -0.17 0.00 0.00 175.17 174.43 1aqb s SER 132 N 2.19 2.02 0.07 -0.34 1.04 -1.26 -0.43 113.70 116.99 1aqb s SER 132 Ca 0.04 -1.04 0.02 0.00 0.48 0.00 0.00 55.95 55.44 1aqb s SER 132 Cb -0.16 -0.04 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 1aqb s SER 132 CO -0.11 -0.31 -0.06 -0.72 0.98 0.00 0.00 173.24 173.02 1aqb s TYR 133 N -3.24 0.73 -0.19 5.02 -0.85 -0.46 -3.15 117.35 115.22 1aqb s TYR 133 Ca 0.20 -0.75 -0.12 0.00 -0.52 0.00 0.00 57.07 55.88 1aqb s TYR 133 Cb 0.02 -0.44 0.06 0.00 0.38 0.00 0.00 41.96 41.98 1aqb s TYR 133 CO 0.03 -0.15 0.46 0.45 -1.52 0.00 0.00 175.55 174.82 1aqb s SER 134 N -2.37 -0.57 0.05 -0.18 0.15 -0.95 -1.40 113.70 108.42 1aqb s SER 134 Ca 0.01 0.98 0.06 0.00 0.70 0.00 0.00 55.95 57.70 1aqb s SER 134 Cb -0.01 0.89 -0.03 0.00 -1.71 0.00 0.00 66.02 65.15 1aqb s SER 134 CO -0.03 -0.19 -0.13 -0.36 1.20 0.00 0.00 173.24 173.73 1aqb s PHE 135 N 1.19 2.70 -0.20 3.44 0.08 -1.14 -0.65 117.98 123.41 1aqb s PHE 135 Ca -0.08 -0.17 -0.03 0.00 0.12 0.00 0.00 56.93 56.77 1aqb s PHE 135 Cb -0.07 -1.50 -0.01 0.00 -0.57 0.00 0.00 43.02 40.87 1aqb s PHE 135 CO -0.11 0.33 -0.05 0.08 -0.10 0.00 0.00 175.22 175.38 1aqb s VAL 136 N -1.02 3.47 0.13 -0.44 1.01 -0.13 -0.75 120.40 122.66 1aqb s VAL 136 Ca 0.17 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.74 1aqb s VAL 136 Cb -0.11 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1aqb s VAL 136 CO 0.08 0.45 -0.07 -0.36 0.00 0.00 0.00 175.10 175.20 1aqb s PHE 137 N 1.10 2.76 0.09 5.22 0.08 0.14 -0.65 117.98 126.71 1aqb s PHE 137 Ca 0.01 -0.15 0.07 0.00 0.12 0.00 0.00 56.93 56.98 1aqb s PHE 137 Cb -0.15 -1.41 -0.03 0.00 -0.57 0.00 0.00 43.02 40.87 1aqb s PHE 137 CO -0.00 0.46 -0.18 0.00 -0.10 0.00 0.00 175.22 175.40 1aqb s ALA 138 N -1.41 1.51 0.14 5.36 0.00 -0.11 -1.48 121.76 125.77 1aqb s ALA 138 Ca 0.24 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 51.09 1aqb s ALA 138 Cb -0.10 -0.18 -0.09 0.00 0.00 0.00 0.00 23.12 22.75 1aqb s ALA 138 CO 0.15 0.27 1.32 0.00 0.00 0.00 0.00 175.76 177.50 1aqb h ARG 139 N 4.19 0.18 -4.89 0.00 2.47 -1.62 -1.20 114.38 113.51 1aqb h ARG 139 Ca -0.44 -0.23 -0.64 0.00 -1.26 0.00 0.00 59.98 57.41 1aqb h ARG 139 Cb 1.19 0.07 -0.17 0.00 -1.65 0.00 0.00 29.97 29.41 1aqb h ARG 139 CO 0.40 1.01 -0.52 0.34 0.56 0.00 0.00 179.97 181.76 1aqb s ASP 140 N -6.94 6.01 0.55 7.04 -1.08 -1.26 -4.78 116.67 116.21 1aqb s ASP 140 Ca -0.03 -0.03 0.30 0.00 -0.52 0.00 0.00 52.55 52.27 1aqb s ASP 140 Cb 0.10 -2.12 1.62 0.00 -1.46 0.00 0.00 42.92 41.06 1aqb s ASP 140 CO 0.84 -0.06 1.90 1.55 0.52 0.00 0.00 175.17 179.92 1aqb h PRO 141 N 8.37 0.00 0.00 4.34 0.13 -1.96 0.10 132.00 142.99 1aqb h PRO 141 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1aqb h PRO 141 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1aqb h PRO 141 CO 0.55 0.00 -0.13 0.72 -0.23 0.00 0.00 178.00 178.91 1aqb n HIS 142 N -2.69 0.39 -0.31 1.56 8.25 -1.26 -5.04 115.22 116.12 1aqb n HIS 142 Ca -0.02 0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1aqb n HIS 142 Cb 0.23 -0.65 0.00 0.00 1.12 0.00 0.00 29.99 30.69 1aqb n HIS 142 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aqb n GLY 143 N 1.41 -1.79 3.75 -1.41 0.00 0.36 -5.05 105.19 102.46 1aqb n GLY 143 Ca 0.06 -1.99 -0.22 0.00 0.00 0.00 0.00 46.02 43.87 1aqb n GLY 143 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1aqb s PHE 144 N 0.00 2.93 0.85 1.61 -0.12 -1.26 -4.77 117.98 117.22 1aqb s PHE 144 Ca 0.00 -0.16 -0.11 0.00 -0.05 0.00 0.00 56.93 56.60 1aqb s PHE 144 Cb 0.00 -1.32 0.10 0.00 -0.63 0.00 0.00 43.02 41.17 1aqb s PHE 144 CO 0.00 0.56 1.09 -1.54 -0.05 0.00 0.00 175.22 175.28 1aqb s SER 145 N -3.77 3.93 0.50 1.98 1.04 -1.26 -4.79 113.70 111.33 1aqb s SER 145 Ca 0.32 1.55 0.16 0.00 0.48 0.00 0.00 55.95 58.46 1aqb s SER 145 Cb -0.07 -2.25 1.22 0.00 0.10 0.00 0.00 66.02 65.02 1aqb s SER 145 CO 0.23 -2.36 2.12 -0.65 0.98 0.00 0.00 173.24 173.56 1aqb h PRO 146 N -1.35 0.08 -0.41 4.02 0.11 -1.99 -1.20 132.00 131.25 1aqb h PRO 146 Ca -0.47 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 1aqb h PRO 146 Cb 1.27 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1aqb h PRO 146 CO 0.54 0.05 -0.22 0.93 -0.21 0.00 0.00 178.00 179.10 1aqb h GLU 147 N 0.08 0.83 -0.04 1.05 4.39 -2.00 -1.76 114.58 117.12 1aqb h GLU 147 Ca 0.06 -0.34 -0.17 0.00 0.34 0.00 0.00 59.36 59.25 1aqb h GLU 147 Cb 0.12 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1aqb h GLU 147 CO -0.01 0.97 -0.73 0.28 -1.16 0.00 0.00 179.01 178.36 1aqb h VAL 148 N 0.72 1.42 -0.82 3.13 2.07 -1.73 -2.89 116.25 118.15 1aqb h VAL 148 Ca 0.10 -2.25 0.12 0.00 0.82 0.00 0.00 66.70 65.49 1aqb h VAL 148 Cb 0.74 2.20 -0.08 0.00 -1.52 0.00 0.00 31.29 32.63 1aqb h VAL 148 CO 0.06 0.66 0.44 1.56 0.02 0.00 0.00 177.57 180.31 1aqb h GLN 149 N 0.17 0.67 -0.58 1.57 4.20 -1.02 -0.10 115.11 120.01 1aqb h GLN 149 Ca -0.03 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 1aqb h GLN 149 Cb 1.29 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.90 1aqb h GLN 149 CO 0.11 0.44 0.13 0.87 -0.67 0.00 0.00 178.83 179.71 1aqb h LYS 150 N 0.69 0.90 -0.30 1.46 1.57 -1.11 -0.47 116.57 119.31 1aqb h LYS 150 Ca 0.42 -0.20 -0.14 0.00 -1.87 0.00 0.00 60.65 58.86 1aqb h LYS 150 Cb 0.50 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1aqb h LYS 150 CO -0.30 0.82 -0.35 0.82 -0.57 0.00 0.00 179.45 179.86 1aqb h ILE 151 N 0.86 1.29 -0.30 1.86 2.04 -1.00 -2.41 117.51 119.85 1aqb h ILE 151 Ca 0.18 -1.53 -0.01 0.00 1.00 0.00 0.00 64.86 64.50 1aqb h ILE 151 Cb 0.33 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1aqb h ILE 151 CO 0.00 0.49 0.15 0.58 0.00 0.00 0.00 178.15 179.37 1aqb h VAL 152 N 0.53 1.15 -0.91 1.67 2.07 -1.08 -1.88 116.25 117.80 1aqb h VAL 152 Ca 0.04 -0.43 0.07 0.00 0.82 0.00 0.00 66.70 67.20 1aqb h VAL 152 Cb 0.94 0.88 -0.07 0.00 -1.52 0.00 0.00 31.29 31.52 1aqb h VAL 152 CO 0.08 0.16 0.57 -0.09 0.02 0.00 0.00 177.57 178.31 1aqb h ARG 153 N 0.36 0.99 -0.66 1.57 2.43 -1.07 0.10 114.38 118.10 1aqb h ARG 153 Ca 0.10 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 1aqb h ARG 153 Cb 0.12 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 1aqb h ARG 153 CO -0.01 0.65 0.12 0.37 -1.51 0.00 0.00 179.97 179.59 1aqb h GLN 154 N 1.02 1.08 -0.54 0.20 4.15 -1.02 -1.77 115.11 118.23 1aqb h GLN 154 Ca 0.41 -0.28 -0.08 0.00 0.77 0.00 0.00 58.65 59.46 1aqb h GLN 154 Cb 0.22 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 1aqb h GLN 154 CO -0.19 0.99 -0.00 0.00 -1.93 0.00 0.00 178.83 177.70 1aqb h ARG 155 N 1.00 0.92 -0.86 1.69 2.47 -0.42 -1.37 114.38 117.81 1aqb h ARG 155 Ca 0.20 -0.27 0.03 0.00 -1.26 0.00 0.00 59.98 58.68 1aqb h ARG 155 Cb 0.43 -0.10 -0.05 0.00 -1.65 0.00 0.00 29.97 28.60 1aqb h ARG 155 CO 0.01 0.92 0.55 1.96 0.56 0.00 0.00 179.97 183.97 1aqb h GLN 156 N 0.85 1.05 -0.62 0.04 4.20 -0.49 -1.82 115.11 118.31 1aqb h GLN 156 Ca 0.16 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.74 1aqb h GLN 156 Cb 0.51 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 1aqb h GLN 156 CO 0.03 0.69 0.13 0.93 -0.67 0.00 0.00 178.83 179.94 1aqb h GLU 157 N 1.08 0.99 0.00 1.46 5.08 -0.97 -1.71 114.58 120.51 1aqb h GLU 157 Ca 0.34 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1aqb h GLU 157 Cb 0.00 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 1aqb h GLU 157 CO -0.12 0.90 -0.07 0.93 -1.00 0.00 0.00 179.01 179.65 1aqb h GLU 158 N 0.94 0.00 -0.02 2.33 5.08 -0.44 -1.11 114.58 121.36 1aqb h GLU 158 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1aqb h GLU 158 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1aqb h GLU 158 CO 0.00 0.07 -0.08 1.28 -1.00 0.00 0.00 179.01 179.29 1aqb n LEU 159 N -3.30 1.65 -1.31 1.33 4.77 -0.89 -4.93 117.00 114.32 1aqb n LEU 159 Ca -0.01 -0.54 -0.10 0.00 -0.03 0.00 0.00 56.01 55.34 1aqb n LEU 159 Cb 0.27 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.34 1aqb n LEU 159 CO 0.28 0.28 -0.05 0.00 -1.33 0.00 0.00 177.39 176.57 1aqb n LEU 161 N -1.69 1.82 -4.66 0.00 4.77 -0.66 -5.05 117.00 111.53 1aqb n LEU 161 Ca -0.07 -2.19 -0.47 0.00 -0.03 0.00 0.00 56.01 53.25 1aqb n LEU 161 Cb 0.57 -0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 1aqb n LEU 161 CO 0.18 0.52 1.13 0.00 -1.33 0.00 0.00 177.39 177.89 1aqb n ALA 162 N -0.80 1.02 -0.95 -1.18 0.00 -1.17 -1.69 120.51 115.74 1aqb n ALA 162 Ca 0.06 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1aqb n ALA 162 Cb 0.46 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1aqb n ALA 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1aqb n ARG 163 N 3.15 -0.64 0.00 0.00 1.74 -1.26 -4.83 116.66 114.82 1aqb n ARG 163 Ca 0.17 0.16 0.11 0.00 -0.77 0.00 0.00 57.85 57.51 1aqb n ARG 163 Cb 0.28 -3.71 0.07 0.00 -1.02 0.00 0.00 32.46 28.07 1aqb n ARG 163 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1aqb n GLN 164 N -1.49 1.85 -3.42 5.56 6.02 -0.68 -4.96 117.38 120.25 1aqb n GLN 164 Ca 0.00 -1.58 -0.28 0.00 -0.01 0.00 0.00 57.00 55.13 1aqb n GLN 164 Cb 0.16 -1.41 -0.03 0.00 1.02 0.00 0.00 30.24 29.97 1aqb n GLN 164 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1aqb s TYR 165 N -1.92 3.48 0.13 1.08 1.51 -1.26 -4.47 117.35 115.89 1aqb s TYR 165 Ca 0.23 0.57 0.06 0.00 -1.01 0.00 0.00 57.07 56.91 1aqb s TYR 165 Cb 0.18 -2.04 -0.04 0.00 -0.11 0.00 0.00 41.96 39.95 1aqb s TYR 165 CO 0.33 0.22 -0.13 -0.98 -1.11 0.00 0.00 175.55 173.88 1aqb s ARG 166 N -3.50 1.02 0.34 -0.62 1.70 -0.08 -4.91 118.95 112.91 1aqb s ARG 166 Ca 0.43 -1.27 -0.28 0.00 -0.47 0.00 0.00 55.73 54.13 1aqb s ARG 166 Cb -0.11 -0.84 -0.10 0.00 -0.57 0.00 0.00 34.95 33.33 1aqb s ARG 166 CO 0.30 0.15 1.31 0.42 -1.08 0.00 0.00 175.30 176.40 1aqb s ILE 167 N -2.36 2.67 -0.19 4.99 -1.09 -1.26 -1.04 121.20 122.92 1aqb s ILE 167 Ca 0.10 0.67 -0.06 0.00 -2.23 0.00 0.00 60.65 59.13 1aqb s ILE 167 Cb -0.04 -3.42 -0.03 0.00 -1.58 0.00 0.00 42.46 37.39 1aqb s ILE 167 CO 0.03 0.15 0.03 -0.63 -1.23 0.00 0.00 174.94 173.29 1aqb s ILE 168 N -1.16 4.36 0.27 2.92 1.01 -0.06 -4.88 121.20 123.67 1aqb s ILE 168 Ca 0.50 -0.18 0.05 0.00 0.00 0.00 0.00 60.65 61.02 1aqb s ILE 168 Cb -0.40 -2.97 -0.02 0.00 0.01 0.00 0.00 42.46 39.08 1aqb s ILE 168 CO 0.53 0.44 0.40 0.42 0.00 0.00 0.00 174.94 176.73 1aqb s THR 169 N 0.68 4.95 -0.21 2.92 -4.23 -1.26 -4.74 115.64 113.75 1aqb s THR 169 Ca 0.01 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 1aqb s THR 169 Cb -0.14 -3.74 0.05 0.00 1.34 0.00 0.00 72.50 70.01 1aqb s THR 169 CO 0.02 -0.29 -0.06 -1.00 -0.54 0.00 0.00 174.62 172.75 1aqb s HIS 170 N -2.05 2.18 -0.12 3.99 3.76 -1.26 -0.52 115.29 121.27 1aqb s HIS 170 Ca 0.37 -1.53 0.24 0.00 -0.15 0.00 0.00 55.06 53.99 1aqb s HIS 170 Cb -0.09 -1.51 0.45 0.00 1.11 0.00 0.00 32.58 32.55 1aqb s HIS 170 CO 0.30 -0.73 1.15 0.27 -0.85 0.00 0.00 174.74 174.88 1aqb n ASN 171 N 4.74 1.14 -0.89 1.40 0.23 -1.26 -5.01 115.26 115.61 1aqb n ASN 171 Ca -0.12 -2.01 -0.12 0.00 -0.53 0.00 0.00 54.58 51.80 1aqb n ASN 171 Cb 0.46 -0.34 -0.05 0.00 -2.08 0.00 0.00 39.78 37.76 1aqb n ASN 171 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1aqb n GLY 172 N -0.02 1.16 0.34 4.83 0.00 -1.26 -4.88 105.19 105.35 1aqb n GLY 172 Ca 0.05 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.04 1aqb n GLY 172 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1aqb h TYR 173 N 0.00 0.70 -0.84 1.61 3.20 -1.97 -2.75 116.97 116.91 1aqb h TYR 173 Ca -0.24 0.02 -0.51 0.00 3.14 0.00 0.00 58.73 61.14 1aqb h TYR 173 Cb 1.08 -0.23 -0.27 0.00 1.54 0.00 0.00 36.73 38.84 1aqb h TYR 173 CO 0.53 0.39 0.43 0.00 -1.64 0.00 0.00 178.16 177.87