#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqn s VAL 17 N 0.00 5.05 0.00 1.39 1.01 0.84 -4.11 120.40 124.58 1iqn s VAL 17 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1iqn s VAL 17 Cb 0.00 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1iqn s VAL 17 CO 0.00 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.64 1iqn n GLY 18 N 4.64 -0.73 0.90 4.51 0.00 -1.26 -2.68 105.19 110.57 1iqn n GLY 18 Ca -0.05 -1.25 0.12 0.00 0.00 0.00 0.00 46.02 44.84 1iqn n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqn n GLY 19 N 0.00 -2.02 4.01 -0.02 0.00 -1.26 -4.92 105.19 100.98 1iqn n GLY 19 Ca 0.00 -1.28 -0.19 0.00 0.00 0.00 0.00 46.02 44.55 1iqn n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1iqn s GLN 20 N -2.27 2.52 0.29 1.61 -1.52 -0.94 -4.94 119.66 114.41 1iqn s GLN 20 Ca 0.00 -1.27 -0.18 0.00 -1.95 0.00 0.00 55.36 51.96 1iqn s GLN 20 Cb 0.00 -2.64 -0.09 0.00 -0.22 0.00 0.00 33.01 30.06 1iqn s GLN 20 CO 0.00 -0.63 0.76 -2.00 -0.25 0.00 0.00 175.29 173.17 1iqn s GLU 21 N -4.59 4.15 -0.37 2.91 2.12 -1.26 -1.10 118.70 120.56 1iqn s GLU 21 Ca 0.58 0.82 -0.29 0.00 0.36 0.00 0.00 54.97 56.45 1iqn s GLU 21 Cb -0.08 -2.61 0.02 0.00 0.26 0.00 0.00 34.13 31.72 1iqn s GLU 21 CO 0.37 0.24 1.15 0.00 -0.54 0.00 0.00 175.26 176.48 1iqn s LYS 23 N 4.06 3.69 -0.36 0.00 -0.14 -1.26 -4.89 119.74 120.84 1iqn s LYS 23 Ca 0.49 0.55 -0.40 0.00 -1.36 0.00 0.00 55.97 55.25 1iqn s LYS 23 Cb -0.11 -2.26 -0.17 0.00 -1.68 0.00 0.00 37.83 33.60 1iqn s LYS 23 CO 0.23 -0.27 1.31 -3.47 -0.76 0.00 0.00 175.35 172.39 1iqn n ASP 24 N -2.01 0.87 0.00 2.83 4.64 -1.26 -0.33 116.55 121.29 1iqn n ASP 24 Ca 0.04 1.02 0.00 0.00 -1.38 0.00 0.00 54.79 54.47 1iqn n ASP 24 Cb 0.54 -0.76 0.00 0.00 -1.04 0.00 0.00 41.12 39.86 1iqn n ASP 24 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1iqn n GLY 25 N 3.10 2.84 0.25 0.27 0.00 -1.26 -4.91 105.19 105.48 1iqn n GLY 25 Ca 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 1iqn n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1iqn h GLU 26 N 2.07 0.83 -2.24 1.61 5.08 -1.03 -3.36 114.58 117.55 1iqn h GLU 26 Ca 0.00 -0.49 -0.57 0.00 -1.00 0.00 0.00 59.36 57.30 1iqn h GLU 26 Cb 0.00 0.04 -0.42 0.00 0.50 0.00 0.00 28.75 28.88 1iqn h GLU 26 CO 0.00 1.13 -0.73 0.00 -1.00 0.00 0.00 179.01 178.41 1iqn n PRO 28 N -0.14 0.18 0.00 0.00 -0.04 -1.26 -2.69 135.00 131.04 1iqn n PRO 28 Ca 0.30 0.54 0.12 0.00 -0.04 0.00 0.00 63.50 64.42 1iqn n PRO 28 Cb 0.43 -1.94 0.21 0.00 -0.04 0.00 0.00 33.50 32.16 1iqn n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1iqn n TRP 29 N -2.29 0.00 -2.02 0.54 2.14 -1.08 -0.96 117.44 113.77 1iqn n TRP 29 Ca 0.00 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.16 1iqn n TRP 29 Cb 0.13 -0.03 -0.02 0.00 -0.81 0.00 0.00 31.31 30.58 1iqn n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1iqn s GLN 30 N -2.30 4.28 0.02 -2.67 2.00 -1.10 -0.74 119.66 119.16 1iqn s GLN 30 Ca 0.25 2.31 0.04 0.00 -2.00 0.00 0.00 55.36 55.96 1iqn s GLN 30 Cb 0.19 -3.07 -0.02 0.00 0.80 0.00 0.00 33.01 30.92 1iqn s GLN 30 CO 0.46 -0.34 -0.11 0.00 -0.50 0.00 0.00 175.29 174.80 1iqn s ALA 31 N -0.70 0.94 -0.11 1.58 0.00 -0.48 -4.45 121.76 118.54 1iqn s ALA 31 Ca 0.54 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.85 1iqn s ALA 31 Cb -0.42 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.56 1iqn s ALA 31 CO 0.51 0.17 -0.17 -1.17 0.00 0.00 0.00 175.76 175.10 1iqn s LEU 32 N -0.90 1.82 -0.08 0.00 2.96 0.61 -0.16 118.68 122.94 1iqn s LEU 32 Ca 0.00 -0.45 -0.21 0.00 -0.22 0.00 0.00 54.13 53.25 1iqn s LEU 32 Cb -0.07 -1.15 -0.04 0.00 0.50 0.00 0.00 46.19 45.43 1iqn s LEU 32 CO 0.01 0.05 0.59 -0.76 -1.32 0.00 0.00 176.35 174.91 1iqn s LEU 33 N 0.82 4.32 0.01 -0.68 1.43 -0.33 0.95 118.68 125.20 1iqn s LEU 33 Ca -0.10 1.03 0.07 0.00 -1.03 0.00 0.00 54.13 54.10 1iqn s LEU 33 Cb -0.16 -2.89 -0.02 0.00 0.03 0.00 0.00 46.19 43.15 1iqn s LEU 33 CO 0.01 -0.03 -0.21 0.27 0.23 0.00 0.00 176.35 176.62 1iqn s ILE 34 N 0.55 1.70 0.42 -0.59 -4.36 0.12 -1.55 121.20 117.49 1iqn s ILE 34 Ca 0.32 -1.05 -0.05 0.00 -0.26 0.00 0.00 60.65 59.60 1iqn s ILE 34 Cb -0.17 -1.44 0.09 0.00 1.25 0.00 0.00 42.46 42.20 1iqn s ILE 34 CO 0.15 0.36 0.57 -0.46 0.24 0.00 0.00 174.94 175.80 1iqn n ASN 35 N 2.23 0.23 0.25 4.36 0.23 -0.81 -0.97 115.26 120.79 1iqn n ASN 35 Ca -0.16 -1.32 0.07 0.00 -0.53 0.00 0.00 54.58 52.64 1iqn n ASN 35 Cb 0.53 -0.42 0.60 0.00 -2.08 0.00 0.00 39.78 38.41 1iqn n ASN 35 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1iqn h GLU 36 N 0.00 0.00 -0.00 -3.83 9.09 -1.92 0.12 114.58 118.04 1iqn h GLU 36 Ca -0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.22 1iqn h GLU 36 Cb 0.56 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.66 1iqn h GLU 36 CO 0.15 0.05 0.00 0.39 0.05 0.00 0.00 179.01 179.65 1iqn n GLU 37 N -4.46 0.94 -1.97 1.06 4.71 -1.26 -4.82 120.64 114.84 1iqn n GLU 37 Ca -0.03 0.00 -0.20 0.00 -0.01 0.00 0.00 57.16 56.92 1iqn n GLU 37 Cb 0.14 -1.00 -0.05 0.00 -1.01 0.00 0.00 31.44 29.52 1iqn n GLU 37 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1iqn n ASN 38 N -0.50 -5.58 -4.69 1.62 3.02 0.40 -4.95 115.26 104.58 1iqn n ASN 38 Ca 0.00 0.25 -0.40 0.00 -0.03 0.00 0.00 54.58 54.40 1iqn n ASN 38 Cb 0.00 -4.73 -0.05 0.00 -0.61 0.00 0.00 39.78 34.39 1iqn n ASN 38 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1iqn s GLU 39 N -4.34 4.32 -0.11 3.52 2.02 -1.26 -4.79 118.70 118.06 1iqn s GLU 39 Ca 0.00 0.72 -0.30 0.00 0.02 0.00 0.00 54.97 55.41 1iqn s GLU 39 Cb 0.00 -3.51 -0.03 0.00 0.10 0.00 0.00 34.13 30.69 1iqn s GLU 39 CO 0.00 -0.08 1.35 0.20 0.02 0.00 0.00 175.26 176.75 1iqn s GLY 40 N 0.96 1.70 -0.00 -1.39 0.00 -1.26 -1.92 107.32 105.41 1iqn s GLY 40 Ca 0.32 0.62 0.03 0.00 0.00 0.00 0.00 44.72 45.68 1iqn s GLY 40 CO 0.13 2.57 0.07 1.97 0.00 0.00 0.00 173.10 177.85 1iqn n PHE 41 N 6.41 0.00 -3.96 1.90 1.16 -0.59 -5.01 117.46 117.37 1iqn n PHE 41 Ca 0.14 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.64 1iqn n PHE 41 Cb 0.44 -0.04 -0.04 0.00 -1.61 0.00 0.00 39.48 38.23 1iqn n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1iqn s GLY 43 N -2.99 2.35 0.19 0.00 0.00 0.25 -1.19 107.32 105.92 1iqn s GLY 43 Ca 0.19 -1.28 -0.23 0.00 0.00 0.00 0.00 44.72 43.39 1iqn s GLY 43 CO 0.08 -1.93 0.81 -0.32 0.00 0.00 0.00 173.10 171.74 1iqn s GLY 44 N -4.30 -0.25 -0.08 0.20 0.00 0.77 -3.60 107.32 100.07 1iqn s GLY 44 Ca 0.35 0.09 0.03 0.00 0.00 0.00 0.00 44.72 45.19 1iqn s GLY 44 CO 0.22 0.02 -0.17 -1.59 0.00 0.00 0.00 173.10 171.58 1iqn s THR 45 N -3.59 1.51 -0.07 0.90 2.01 -0.02 -1.39 115.64 115.00 1iqn s THR 45 Ca 0.09 -0.71 -0.30 0.00 0.31 0.00 0.00 61.69 61.09 1iqn s THR 45 Cb -0.03 -1.34 -0.03 0.00 0.01 0.00 0.00 72.50 71.11 1iqn s THR 45 CO 0.01 0.44 1.21 -0.63 -0.69 0.00 0.00 174.62 174.96 1iqn s ILE 46 N 0.47 4.25 -0.09 1.82 1.01 0.08 -0.79 121.20 127.95 1iqn s ILE 46 Ca -0.15 1.57 0.16 0.00 0.00 0.00 0.00 60.65 62.23 1iqn s ILE 46 Cb -0.16 -4.01 -0.24 0.00 0.01 0.00 0.00 42.46 38.06 1iqn s ILE 46 CO 0.06 -0.02 0.24 0.18 0.00 0.00 0.00 174.94 175.40 1iqn n LEU 47 N 5.37 0.00 0.00 2.97 4.77 0.11 -1.40 117.00 128.82 1iqn n LEU 47 Ca 0.11 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.08 1iqn n LEU 47 Cb 0.46 0.18 0.02 0.00 -2.33 0.00 0.00 43.42 41.74 1iqn n LEU 47 CO 0.55 0.18 0.78 -1.54 -1.33 0.00 0.00 177.39 176.03 1iqn n SER 48 N -2.33 -1.34 0.32 -1.43 3.41 -1.15 -4.72 113.62 106.37 1iqn n SER 48 Ca -0.14 -1.60 0.21 0.00 -0.26 0.00 0.00 58.87 57.08 1iqn n SER 48 Cb 0.71 2.16 1.06 0.00 -0.26 0.00 0.00 64.21 67.88 1iqn n SER 48 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1iqn h GLU 49 N 0.00 0.00 0.00 4.33 4.11 -1.98 -3.12 114.58 117.92 1iqn h GLU 49 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.21 1iqn h GLU 49 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1iqn h GLU 49 CO 0.30 0.00 -1.18 1.19 0.07 0.00 0.00 179.01 179.39 1iqn n PHE 50 N -3.12 0.00 -5.09 2.06 3.72 -1.26 0.13 117.46 113.90 1iqn n PHE 50 Ca -0.02 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.09 1iqn n PHE 50 Cb 0.14 -0.16 -0.15 0.00 -0.94 0.00 0.00 39.48 38.37 1iqn n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1iqn s TYR 51 N -2.44 2.14 -0.01 1.38 2.02 -1.18 0.17 117.35 119.43 1iqn s TYR 51 Ca -0.02 -0.40 0.08 0.00 -0.37 0.00 0.00 57.07 56.36 1iqn s TYR 51 Cb 0.06 -1.35 -0.02 0.00 -0.40 0.00 0.00 41.96 40.25 1iqn s TYR 51 CO 0.37 0.00 -0.25 0.42 -1.57 0.00 0.00 175.55 174.52 1iqn s ILE 52 N -0.62 2.01 -0.18 2.71 -1.09 -0.37 -0.72 121.20 122.94 1iqn s ILE 52 Ca 0.09 -1.14 -0.06 0.00 -2.23 0.00 0.00 60.65 57.32 1iqn s ILE 52 Cb -0.09 -1.68 -0.04 0.00 -1.58 0.00 0.00 42.46 39.07 1iqn s ILE 52 CO -0.00 0.52 0.03 -0.22 -1.23 0.00 0.00 174.94 174.04 1iqn s LEU 53 N -0.72 3.61 0.00 2.97 2.96 0.03 -0.19 118.68 127.34 1iqn s LEU 53 Ca 0.10 -0.00 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 1iqn s LEU 53 Cb -0.10 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.68 1iqn s LEU 53 CO -0.00 0.16 0.24 1.07 -1.32 0.00 0.00 176.35 176.49 1iqn n THR 54 N 3.63 0.00 -3.74 3.68 5.66 -0.06 -0.84 114.28 122.61 1iqn n THR 54 Ca -0.17 -1.26 -0.37 0.00 -3.05 0.00 0.00 64.05 59.20 1iqn n THR 54 Cb 0.52 0.70 -0.06 0.00 -1.55 0.00 0.00 70.33 69.94 1iqn n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1iqn s ALA 55 N -2.54 3.82 0.13 1.79 0.00 -1.26 -0.70 121.76 122.99 1iqn s ALA 55 Ca 0.21 -0.50 -0.19 0.00 0.00 0.00 0.00 51.96 51.47 1iqn s ALA 55 Cb 0.00 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.97 1iqn s ALA 55 CO 0.15 0.59 1.75 0.00 0.00 0.00 0.00 175.76 178.24 1iqn h ALA 56 N 4.65 0.22 0.00 0.00 0.00 -1.70 -2.01 119.26 120.42 1iqn h ALA 56 Ca -0.53 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1iqn h ALA 56 Cb 1.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1iqn h ALA 56 CO 0.61 -0.36 0.02 -2.39 0.00 0.00 0.00 179.25 177.13 1iqn n HIS 57 N -5.06 0.00 0.38 0.00 1.44 -1.26 -0.95 115.22 109.77 1iqn n HIS 57 Ca -0.03 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.81 1iqn n HIS 57 Cb 0.08 -0.42 0.33 0.00 0.12 0.00 0.00 29.99 30.09 1iqn n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1iqn n LEU 59 N -2.76 2.93 0.00 0.00 4.77 -0.13 -3.02 117.00 118.80 1iqn n LEU 59 Ca 0.04 -1.49 0.00 0.00 -0.03 0.00 0.00 56.01 54.53 1iqn n LEU 59 Cb 0.45 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1iqn n LEU 59 CO 0.31 0.45 -0.30 -1.22 -1.33 0.00 0.00 177.39 175.30 1iqn n TYR 60 N 0.14 0.00 0.69 -1.77 0.53 -1.17 -4.71 117.16 110.88 1iqn n TYR 60 Ca 0.11 0.00 0.03 0.00 -1.02 0.00 0.00 57.90 57.02 1iqn n TYR 60 Cb 0.63 0.00 0.12 0.00 -1.03 0.00 0.00 39.34 39.07 1iqn n TYR 60 CO 0.00 0.00 0.00 0.94 -1.02 0.00 0.00 176.86 176.78 1iqn n GLN 61 N -1.00 2.01 -3.78 -0.72 -0.06 -1.17 -4.88 117.38 107.78 1iqn n GLN 61 Ca 0.00 -0.97 -0.03 0.00 -2.00 0.00 0.00 57.00 54.01 1iqn n GLN 61 Cb 0.00 -1.55 -0.00 0.00 -4.06 0.00 0.00 30.24 24.63 1iqn n GLN 61 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1iqn s ALA 61 N -1.61 -1.72 0.00 1.69 0.00 -1.26 -5.03 121.76 113.83 1iqn s ALA 61 Ca 0.17 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1iqn s ALA 61 Cb 0.12 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.88 1iqn s ALA 61 CO 0.07 -1.05 0.00 1.17 0.00 0.00 0.00 175.76 175.95 1iqn n LYS 62 N -0.55 0.00 -4.42 0.00 4.81 -1.26 -4.96 118.16 111.77 1iqn n LYS 62 Ca -0.05 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.05 1iqn n LYS 62 Cb 0.61 -0.17 -0.12 0.00 0.02 0.00 0.00 35.03 35.37 1iqn n LYS 62 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1iqn s ARG 63 N -0.51 3.48 0.07 1.64 3.52 -1.26 -5.09 118.95 120.79 1iqn s ARG 63 Ca 0.00 -0.51 -0.13 0.00 -0.13 0.00 0.00 55.73 54.97 1iqn s ARG 63 Cb 0.00 -2.86 0.02 0.00 -1.56 0.00 0.00 34.95 30.54 1iqn s ARG 63 CO 0.00 0.36 0.29 -0.59 -0.81 0.00 0.00 175.30 174.54 1iqn s PHE 64 N 0.05 -0.05 0.13 5.12 -0.71 -1.26 -3.58 117.98 117.69 1iqn s PHE 64 Ca 0.00 -0.19 0.07 0.00 -1.04 0.00 0.00 56.93 55.78 1iqn s PHE 64 Cb -0.13 0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.72 1iqn s PHE 64 CO 0.03 -0.54 -0.17 0.15 -1.34 0.00 0.00 175.22 173.34 1iqn s LYS 65 N -3.05 1.13 -0.18 1.99 1.02 -0.14 -4.54 119.74 115.98 1iqn s LYS 65 Ca -0.01 -1.27 -0.10 0.00 0.02 0.00 0.00 55.97 54.60 1iqn s LYS 65 Cb 0.01 -1.18 -0.05 0.00 -0.52 0.00 0.00 37.83 36.10 1iqn s LYS 65 CO -0.07 0.24 0.17 0.54 -0.92 0.00 0.00 175.35 175.32 1iqn s VAL 66 N -1.84 5.40 -0.07 3.17 0.11 -0.64 0.12 120.40 126.65 1iqn s VAL 66 Ca 0.10 0.27 0.02 0.00 -2.93 0.00 0.00 61.98 59.45 1iqn s VAL 66 Cb -0.07 -3.50 -0.03 0.00 -1.53 0.00 0.00 36.38 31.26 1iqn s VAL 66 CO 0.05 0.46 -0.11 -0.60 -3.33 0.00 0.00 175.10 171.57 1iqn s ARG 67 N 0.14 2.70 0.22 1.54 3.52 0.27 -0.77 118.95 126.58 1iqn s ARG 67 Ca 0.11 -0.64 0.04 0.00 -0.13 0.00 0.00 55.73 55.11 1iqn s ARG 67 Cb -0.12 -2.49 -0.05 0.00 -1.56 0.00 0.00 34.95 30.73 1iqn s ARG 67 CO 0.00 0.59 -0.02 0.14 -0.81 0.00 0.00 175.30 175.20 1iqn s VAL 68 N -0.63 1.10 -0.39 7.11 -7.23 -0.74 -0.28 120.40 119.33 1iqn s VAL 68 Ca 0.09 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 1iqn s VAL 68 Cb -0.11 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.54 1iqn s VAL 68 CO 0.01 -0.37 0.00 0.61 -0.31 0.00 0.00 175.10 175.04 1iqn n GLY 69 N -0.40 0.66 3.75 2.32 0.00 -1.26 -2.06 105.19 108.20 1iqn n GLY 69 Ca -0.06 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 1iqn n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iqn s ASP 70 N -2.62 5.80 0.00 1.61 -1.08 -1.26 -3.87 116.67 115.25 1iqn s ASP 70 Ca 0.00 0.25 0.00 0.00 -0.52 0.00 0.00 52.55 52.28 1iqn s ASP 70 Cb 0.00 -1.84 0.00 0.00 -1.46 0.00 0.00 42.92 39.62 1iqn s ASP 70 CO 0.00 0.33 0.07 0.54 0.52 0.00 0.00 175.17 176.63 1iqn n ARG 71 N 2.48 1.83 -3.31 4.34 1.74 -1.26 -4.83 116.66 117.64 1iqn n ARG 71 Ca -0.19 -0.07 -0.10 0.00 -0.77 0.00 0.00 57.85 56.72 1iqn n ARG 71 Cb 0.54 -0.37 -0.06 0.00 -1.02 0.00 0.00 32.46 31.54 1iqn n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1iqn s ASN 72 N -0.28 0.48 -0.96 0.55 3.84 -1.26 -1.83 114.94 115.47 1iqn s ASN 72 Ca 0.00 -0.67 -0.14 0.00 0.21 0.00 0.00 52.86 52.26 1iqn s ASN 72 Cb 0.00 1.03 -0.09 0.00 -0.55 0.00 0.00 41.25 41.64 1iqn s ASN 72 CO 0.00 -0.32 2.10 0.35 -2.79 0.00 0.00 177.10 176.44 1iqn n THR 73 N 5.07 2.41 0.00 -5.21 -2.24 0.50 -2.65 114.28 112.16 1iqn n THR 73 Ca 0.03 -1.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.07 1iqn n THR 73 Cb 0.49 -2.29 0.00 0.00 -2.10 0.00 0.00 70.33 66.43 1iqn n THR 73 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1iqn n GLU 74 N 5.51 0.00 -3.58 -0.78 0.28 -1.26 -4.97 120.64 115.84 1iqn n GLU 74 Ca 0.50 0.00 -0.26 0.00 -0.16 0.00 0.00 57.16 57.24 1iqn n GLU 74 Cb 0.28 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 32.99 1iqn n GLU 74 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1iqn s GLN 75 N 0.00 0.10 -0.76 3.44 -0.21 -1.08 -5.08 119.66 116.07 1iqn s GLN 75 Ca 0.00 -0.15 -0.24 0.00 0.02 0.00 0.00 55.36 54.99 1iqn s GLN 75 Cb 0.00 -1.61 -0.15 0.00 1.00 0.00 0.00 33.01 32.25 1iqn s GLN 75 CO 0.00 -0.75 2.40 -1.91 -2.12 0.00 0.00 175.29 172.91 1iqn n GLU 76 N 5.28 0.58 0.00 2.91 4.07 -1.26 -4.75 120.64 127.47 1iqn n GLU 76 Ca -0.07 -0.57 0.07 0.00 -0.06 0.00 0.00 57.16 56.53 1iqn n GLU 76 Cb 0.48 -3.30 0.32 0.00 -0.06 0.00 0.00 31.44 28.88 1iqn n GLU 76 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1iqn n GLU 77 N 8.49 0.08 0.00 5.31 1.02 -1.26 -4.88 120.64 129.40 1iqn n GLU 77 Ca 0.48 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 1iqn n GLU 77 Cb 0.41 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 1iqn n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iqn n GLY 78 N -0.06 1.95 0.28 0.62 0.00 -1.26 -4.77 105.19 101.95 1iqn n GLY 78 Ca 0.05 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 45.96 1iqn n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqn n GLY 79 N 0.00 -0.32 3.80 -0.02 0.00 -1.26 -4.90 105.19 102.49 1iqn n GLY 79 Ca 0.00 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 1iqn n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iqn s GLU 80 N -1.85 0.63 -0.29 1.61 8.01 -1.25 -4.61 118.70 120.95 1iqn s GLU 80 Ca 0.22 0.00 -0.24 0.00 0.01 0.00 0.00 54.97 54.96 1iqn s GLU 80 Cb 0.11 -1.81 0.14 0.00 -4.31 0.00 0.00 34.13 28.26 1iqn s GLU 80 CO 0.17 -2.49 1.10 0.00 0.01 0.00 0.00 175.26 174.05 1iqn s ALA 81 N -3.43 -2.07 -0.07 5.21 0.00 -0.87 -4.97 121.76 115.55 1iqn s ALA 81 Ca 0.68 1.89 -0.00 0.00 0.00 0.00 0.00 51.96 54.53 1iqn s ALA 81 Cb -0.10 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 1iqn s ALA 81 CO 0.53 -0.23 -0.03 0.08 0.00 0.00 0.00 175.76 176.12 1iqn s VAL 82 N 0.36 4.03 -0.01 0.00 1.01 -1.26 -1.79 120.40 122.74 1iqn s VAL 82 Ca 0.02 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.65 1iqn s VAL 82 Cb -0.05 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 1iqn s VAL 82 CO -0.09 0.57 -0.12 -1.00 0.00 0.00 0.00 175.10 174.46 1iqn s HIS 83 N -0.88 1.12 0.38 5.22 3.76 0.05 -5.02 115.29 119.93 1iqn s HIS 83 Ca 0.14 -0.21 -0.03 0.00 -0.15 0.00 0.00 55.06 54.80 1iqn s HIS 83 Cb -0.11 -0.72 -0.04 0.00 1.11 0.00 0.00 32.58 32.82 1iqn s HIS 83 CO 0.03 -0.02 0.64 -1.21 -0.85 0.00 0.00 174.74 173.33 1iqn s GLU 84 N -0.31 3.56 -0.20 1.40 2.02 -1.26 -1.62 118.70 122.29 1iqn s GLU 84 Ca 0.05 -0.03 -0.14 0.00 0.02 0.00 0.00 54.97 54.87 1iqn s GLU 84 Cb -0.05 -2.55 -0.04 0.00 0.10 0.00 0.00 34.13 31.59 1iqn s GLU 84 CO -0.00 0.04 0.31 0.08 0.02 0.00 0.00 175.26 175.70 1iqn s VAL 85 N -2.40 5.27 -0.16 2.63 1.01 -1.26 -1.69 120.40 123.79 1iqn s VAL 85 Ca 0.44 0.53 -0.18 0.00 0.00 0.00 0.00 61.98 62.76 1iqn s VAL 85 Cb -0.10 -3.64 -0.15 0.00 0.00 0.00 0.00 36.38 32.49 1iqn s VAL 85 CO 0.37 0.31 0.27 -0.08 0.00 0.00 0.00 175.10 175.97 1iqn h GLU 86 N 7.21 0.00 -3.29 2.72 4.81 -1.42 -3.45 114.58 121.16 1iqn h GLU 86 Ca -0.38 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.61 1iqn h GLU 86 Cb 1.16 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 30.23 1iqn h GLU 86 CO 0.71 0.66 -0.60 0.54 -0.73 0.00 0.00 179.01 179.60 1iqn s VAL 87 N -2.18 -0.04 -0.22 0.32 0.11 -1.13 -5.02 120.40 112.23 1iqn s VAL 87 Ca -0.19 0.16 -0.08 0.00 -2.93 0.00 0.00 61.98 58.94 1iqn s VAL 87 Cb 0.02 -0.22 -0.04 0.00 -1.53 0.00 0.00 36.38 34.61 1iqn s VAL 87 CO 0.46 0.06 0.07 0.54 -3.33 0.00 0.00 175.10 172.91 1iqn s VAL 88 N 1.02 4.61 -0.57 2.04 0.11 -1.26 -0.80 120.40 125.54 1iqn s VAL 88 Ca -0.08 -0.08 -0.11 0.00 -2.93 0.00 0.00 61.98 58.77 1iqn s VAL 88 Cb -0.10 -3.12 0.14 0.00 -1.53 0.00 0.00 36.38 31.78 1iqn s VAL 88 CO -0.05 0.39 0.47 -0.63 -3.33 0.00 0.00 175.10 171.96 1iqn s ILE 89 N 0.98 4.69 0.25 7.04 1.01 0.13 -4.99 121.20 130.30 1iqn s ILE 89 Ca 0.04 -1.94 -0.12 0.00 0.00 0.00 0.00 60.65 58.63 1iqn s ILE 89 Cb -0.14 -4.02 -0.08 0.00 0.01 0.00 0.00 42.46 38.23 1iqn s ILE 89 CO 0.03 -0.86 0.61 -0.75 0.00 0.00 0.00 174.94 173.97 1iqn s LYS 90 N 1.08 3.89 -0.16 2.79 2.20 -1.26 -1.02 119.74 127.25 1iqn s LYS 90 Ca 0.08 0.42 -0.28 0.00 -0.36 0.00 0.00 55.97 55.84 1iqn s LYS 90 Cb -0.24 -2.63 -0.01 0.00 -1.51 0.00 0.00 37.83 33.45 1iqn s LYS 90 CO -0.01 0.29 0.96 -1.58 -0.36 0.00 0.00 175.35 174.65 1iqn s HIS 91 N -1.81 3.43 0.14 4.03 5.65 -1.16 -4.95 115.29 120.62 1iqn s HIS 91 Ca 0.48 1.44 -0.21 0.00 0.25 0.00 0.00 55.06 57.02 1iqn s HIS 91 Cb -0.11 -3.16 0.01 0.00 -1.18 0.00 0.00 32.58 28.14 1iqn s HIS 91 CO 0.20 -0.31 1.66 -0.91 -0.65 0.00 0.00 174.74 174.73 1iqn h ASN 92 N 7.29 -0.48 0.00 9.88 4.21 -1.93 -1.90 115.58 132.64 1iqn h ASN 92 Ca -0.27 0.10 0.00 0.00 1.21 0.00 0.00 56.30 57.34 1iqn h ASN 92 Cb 1.12 0.25 0.00 0.00 -1.12 0.00 0.00 38.32 38.56 1iqn h ASN 92 CO 0.89 -0.19 0.08 0.54 -1.29 0.00 0.00 177.43 177.46 1iqn n ARG 93 N -5.31 0.00 -2.31 0.81 5.12 -1.26 -4.71 116.66 109.01 1iqn n ARG 93 Ca -0.02 0.27 -0.41 0.00 -1.93 0.00 0.00 57.85 55.76 1iqn n ARG 93 Cb 0.22 -1.58 -0.03 0.00 -1.16 0.00 0.00 32.46 29.91 1iqn n ARG 93 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1iqn s PHE 94 N -2.47 3.36 -0.03 -1.55 5.36 -0.72 -4.73 117.98 117.21 1iqn s PHE 94 Ca 0.00 1.27 -0.02 0.00 -0.96 0.00 0.00 56.93 57.23 1iqn s PHE 94 Cb 0.00 -3.51 0.01 0.00 -0.34 0.00 0.00 43.02 39.18 1iqn s PHE 94 CO 0.00 -1.58 0.06 0.95 -1.46 0.00 0.00 175.22 173.19 1iqn s THR 95 N 0.37 -0.01 -0.28 0.12 -4.23 -1.20 -5.03 115.64 105.38 1iqn s THR 95 Ca 0.57 0.04 0.28 0.00 -1.18 0.00 0.00 61.69 61.39 1iqn s THR 95 Cb -0.34 -0.10 0.32 0.00 1.34 0.00 0.00 72.50 73.72 1iqn s THR 95 CO 0.35 0.02 1.82 0.07 -0.54 0.00 0.00 174.62 176.33 1iqn h LYS 96 N 6.29 0.00 0.00 3.99 -0.00 -1.96 0.20 116.57 125.09 1iqn h LYS 96 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.37 1iqn h LYS 96 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.42 1iqn h LYS 96 CO 0.47 0.00 0.00 -0.85 -0.00 0.00 0.00 179.45 179.07 1iqn n GLU 97 N -2.67 0.03 0.00 0.07 0.00 -1.26 -3.89 120.64 112.91 1iqn n GLU 97 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 57.16 57.23 1iqn n GLU 97 Cb 0.32 -1.53 0.00 0.00 0.00 0.00 0.00 31.44 30.22 1iqn n GLU 97 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1iqn n THR 98 N -1.58 0.00 -1.92 3.84 -2.24 -1.16 -5.01 114.28 106.20 1iqn n THR 98 Ca 0.06 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.69 1iqn n THR 98 Cb 0.33 0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 1iqn n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1iqn n TYR 99 N -0.70 -0.41 -3.25 4.78 4.01 0.68 -4.98 117.16 117.29 1iqn n TYR 99 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.35 1iqn n TYR 99 Cb 0.05 -2.92 -0.06 0.00 -0.31 0.00 0.00 39.34 36.10 1iqn n TYR 99 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1iqn s ASP 100 N -2.55 7.05 -0.51 7.72 2.15 -1.23 -3.94 116.67 125.36 1iqn s ASP 100 Ca 0.00 1.25 -0.03 0.00 0.43 0.00 0.00 52.55 54.20 1iqn s ASP 100 Cb 0.00 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 1iqn s ASP 100 CO 0.00 0.23 0.44 0.49 -0.17 0.00 0.00 175.17 176.17 1iqn n PHE 101 N 1.96 -1.07 -2.10 -5.34 3.01 -1.26 -3.26 117.46 109.41 1iqn n PHE 101 Ca -0.09 0.39 -0.41 0.00 1.01 0.00 0.00 57.45 58.34 1iqn n PHE 101 Cb 0.51 -2.64 -0.01 0.00 -0.01 0.00 0.00 39.48 37.33 1iqn n PHE 101 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1iqn n ASP 102 N -0.46 4.18 -3.74 4.37 -0.08 -1.25 -4.39 116.55 115.18 1iqn n ASP 102 Ca -0.01 -2.85 -0.13 0.00 -1.51 0.00 0.00 54.79 50.28 1iqn n ASP 102 Cb 0.53 -1.66 -0.10 0.00 2.34 0.00 0.00 41.12 42.22 1iqn n ASP 102 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1iqn s ILE 103 N 4.49 0.00 -0.02 5.18 2.07 -1.26 -4.05 121.20 127.61 1iqn s ILE 103 Ca 0.53 -0.02 -0.18 0.00 -1.41 0.00 0.00 60.65 59.56 1iqn s ILE 103 Cb 0.08 -0.56 0.03 0.00 0.13 0.00 0.00 42.46 42.15 1iqn s ILE 103 CO 0.02 -0.01 0.39 0.00 -1.91 0.00 0.00 174.94 173.43 1iqn s ALA 104 N 0.12 -1.01 -0.00 1.50 0.00 0.12 -2.98 121.76 119.50 1iqn s ALA 104 Ca -0.01 0.56 0.07 0.00 0.00 0.00 0.00 51.96 52.58 1iqn s ALA 104 Cb -0.03 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 1iqn s ALA 104 CO 0.01 -0.28 -0.20 0.08 0.00 0.00 0.00 175.76 175.36 1iqn s VAL 105 N -1.28 2.56 -0.14 0.00 1.01 -0.19 -0.88 120.40 121.48 1iqn s VAL 105 Ca -0.13 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.81 1iqn s VAL 105 Cb -0.04 -1.99 -0.00 0.00 0.00 0.00 0.00 36.38 34.35 1iqn s VAL 105 CO 0.05 0.49 -0.18 -0.76 0.00 0.00 0.00 175.10 174.70 1iqn s LEU 106 N -0.95 2.34 -0.33 3.92 1.43 0.73 0.17 118.68 126.00 1iqn s LEU 106 Ca 0.12 -0.50 -0.15 0.00 -1.03 0.00 0.00 54.13 52.56 1iqn s LEU 106 Cb -0.10 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 1iqn s LEU 106 CO 0.01 0.11 0.38 -0.60 0.23 0.00 0.00 176.35 176.48 1iqn s ARG 107 N 0.66 3.65 0.31 1.70 6.06 0.02 -1.23 118.95 130.12 1iqn s ARG 107 Ca -0.09 -0.31 -0.28 0.00 -2.50 0.00 0.00 55.73 52.55 1iqn s ARG 107 Cb -0.16 -3.78 -0.09 0.00 0.06 0.00 0.00 34.95 30.98 1iqn s ARG 107 CO 0.02 -0.49 1.06 -0.51 -2.50 0.00 0.00 175.30 172.88 1iqn s LEU 108 N 2.07 4.43 0.10 -0.88 1.43 0.13 -1.18 118.68 124.77 1iqn s LEU 108 Ca 0.13 2.15 -0.19 0.00 -1.03 0.00 0.00 54.13 55.19 1iqn s LEU 108 Cb -0.16 -3.81 -0.07 0.00 0.03 0.00 0.00 46.19 42.18 1iqn s LEU 108 CO 0.12 -0.22 1.64 0.50 0.23 0.00 0.00 176.35 178.62 1iqn h LYS 109 N 3.41 0.36 -6.81 1.70 3.11 -1.63 -3.43 116.57 113.28 1iqn h LYS 109 Ca -0.47 -0.07 -0.68 0.00 -2.81 0.00 0.00 60.65 56.62 1iqn h LYS 109 Cb 1.21 -0.06 -0.21 0.00 -1.00 0.00 0.00 32.23 32.17 1iqn h LYS 109 CO 0.65 0.40 -0.84 0.95 -2.81 0.00 0.00 179.45 177.81 1iqn s THR 110 N -5.56 2.52 0.38 1.00 -4.23 -1.26 -5.00 115.64 103.49 1iqn s THR 110 Ca -0.13 -1.60 -0.28 0.00 -1.18 0.00 0.00 61.69 58.49 1iqn s THR 110 Cb 0.08 -2.13 -0.11 0.00 1.34 0.00 0.00 72.50 71.69 1iqn s THR 110 CO 0.72 0.12 1.45 -2.84 -0.54 0.00 0.00 174.62 173.53 1iqn s PRO 111 N -2.02 4.11 -0.27 3.99 0.02 -1.26 -4.87 135.00 134.70 1iqn s PRO 111 Ca 0.16 2.50 -0.27 0.00 0.02 0.00 0.00 61.00 63.41 1iqn s PRO 111 Cb -0.10 -2.96 0.01 0.00 0.02 0.00 0.00 34.50 31.47 1iqn s PRO 111 CO 0.07 -0.50 0.95 0.42 -0.33 0.00 0.00 177.00 177.61 1iqn s ILE 112 N -1.13 4.69 -0.21 2.83 1.01 0.35 -5.00 121.20 123.74 1iqn s ILE 112 Ca 0.53 1.68 -0.26 0.00 0.00 0.00 0.00 60.65 62.60 1iqn s ILE 112 Cb -0.45 -4.26 -0.00 0.00 0.01 0.00 0.00 42.46 37.75 1iqn s ILE 112 CO 0.61 -0.25 0.90 0.42 0.00 0.00 0.00 174.94 176.62 1iqn s THR 113 N 3.19 4.80 -0.07 2.92 -4.23 -1.26 -4.60 115.64 116.39 1iqn s THR 113 Ca 0.40 1.74 -0.30 0.00 -1.18 0.00 0.00 61.69 62.35 1iqn s THR 113 Cb -0.14 -4.19 -0.02 0.00 1.34 0.00 0.00 72.50 69.49 1iqn s THR 113 CO 0.10 -0.07 1.08 -0.36 -0.54 0.00 0.00 174.62 174.83 1iqn s PHE 114 N 2.69 3.41 0.05 3.99 0.08 -1.26 -4.92 117.98 122.02 1iqn s PHE 114 Ca 0.39 1.46 -0.00 0.00 0.12 0.00 0.00 56.93 58.90 1iqn s PHE 114 Cb -0.16 -3.27 0.00 0.00 -0.57 0.00 0.00 43.02 39.02 1iqn s PHE 114 CO 0.09 -0.63 0.07 2.89 -0.10 0.00 0.00 175.22 177.54 1iqn n ARG 115 N 4.92 0.10 -1.62 0.44 0.00 -0.41 -5.01 116.66 115.08 1iqn n ARG 115 Ca 0.09 -0.41 -0.46 0.00 -0.00 0.00 0.00 57.85 57.07 1iqn n ARG 115 Cb 0.48 0.40 -0.03 0.00 -0.00 0.00 0.00 32.46 33.30 1iqn n ARG 115 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 1iqn n MET 116 N -0.09 1.59 -0.68 2.89 0.00 -1.26 -0.50 117.12 119.07 1iqn n MET 116 Ca 0.00 0.57 0.00 0.00 -0.00 0.00 0.00 57.70 58.27 1iqn n MET 116 Cb 0.09 -2.13 0.00 0.00 0.00 0.00 0.00 33.22 31.18 1iqn n MET 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1iqn n ASN 117 N 1.99 0.00 -3.68 6.12 5.03 -1.26 -4.92 115.26 118.53 1iqn n ASN 117 Ca 0.13 0.00 -0.30 0.00 0.87 0.00 0.00 54.58 55.28 1iqn n ASN 117 Cb 0.29 -0.97 -0.15 0.00 -1.02 0.00 0.00 39.78 37.93 1iqn n ASN 117 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1iqn s VAL 118 N -2.68 0.74 -0.01 2.41 1.01 0.34 -4.06 120.40 118.16 1iqn s VAL 118 Ca 0.00 -1.44 -0.23 0.00 0.00 0.00 0.00 61.98 60.30 1iqn s VAL 118 Cb 0.00 -1.56 0.05 0.00 0.00 0.00 0.00 36.38 34.87 1iqn s VAL 118 CO 0.00 -0.73 0.51 0.00 0.00 0.00 0.00 175.10 174.88 1iqn s ALA 119 N 1.52 -1.31 0.56 5.51 0.00 -0.14 -1.28 121.76 126.62 1iqn s ALA 119 Ca 0.11 0.76 -0.13 0.00 0.00 0.00 0.00 51.96 52.70 1iqn s ALA 119 Cb -0.18 0.16 -0.06 0.00 0.00 0.00 0.00 23.12 23.04 1iqn s ALA 119 CO -0.23 -0.38 0.98 -1.25 0.00 0.00 0.00 175.76 174.88 1iqn s PRO 120 N -1.69 3.75 -0.00 0.00 0.04 -1.26 -2.63 135.00 133.21 1iqn s PRO 120 Ca -0.10 0.79 -0.07 0.00 0.04 0.00 0.00 61.00 61.66 1iqn s PRO 120 Cb -0.02 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 1iqn s PRO 120 CO 0.04 -0.40 0.26 0.00 0.04 0.00 0.00 177.00 176.95 1iqn s ALA 121 N -2.88 3.84 0.49 8.56 0.00 -0.49 -4.87 121.76 126.41 1iqn s ALA 121 Ca 0.56 -0.57 -0.20 0.00 0.00 0.00 0.00 51.96 51.75 1iqn s ALA 121 Cb -0.10 -2.07 -0.08 0.00 0.00 0.00 0.00 23.12 20.86 1iqn s ALA 121 CO 0.43 0.64 1.04 0.00 0.00 0.00 0.00 175.76 177.87 1iqn s LEU 123 N -3.50 4.07 0.00 0.00 2.01 -1.26 -0.56 118.68 119.44 1iqn s LEU 123 Ca 0.67 0.19 -0.09 0.00 0.01 0.00 0.00 54.13 54.91 1iqn s LEU 123 Cb -0.16 -2.26 0.17 0.00 0.01 0.00 0.00 46.19 43.94 1iqn s LEU 123 CO 0.20 -0.07 1.09 -0.81 1.01 0.00 0.00 176.35 177.77 1iqn n PRO 124 N 4.86 -0.69 -3.85 1.29 -0.04 -1.26 -4.99 135.00 130.32 1iqn n PRO 124 Ca -0.12 -2.15 -0.33 0.00 -0.04 0.00 0.00 63.50 60.86 1iqn n PRO 124 Cb 0.51 -0.97 -0.05 0.00 -0.04 0.00 0.00 33.50 32.96 1iqn n PRO 124 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1iqn s GLU 124 N -5.32 3.49 0.10 0.54 2.02 -1.26 -4.98 118.70 113.29 1iqn s GLU 124 Ca 0.65 -0.25 -0.26 0.00 0.02 0.00 0.00 54.97 55.14 1iqn s GLU 124 Cb -0.03 -3.07 -0.09 0.00 0.10 0.00 0.00 34.13 31.04 1iqn s GLU 124 CO 0.45 0.65 1.43 -0.09 0.02 0.00 0.00 175.26 177.72 1iqn h ARG 125 N 3.74 -0.33 0.32 1.61 2.43 -1.98 -0.31 114.38 119.87 1iqn h ARG 125 Ca -0.49 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 58.69 1iqn h ARG 125 Cb 1.19 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1iqn h ARG 125 CO 0.69 -0.22 -0.16 -0.44 -1.51 0.00 0.00 179.97 178.34 1iqn h ASP 126 N -0.34 -0.37 -0.54 -3.80 3.45 -1.96 -0.57 116.42 112.29 1iqn h ASP 126 Ca 0.05 0.00 0.05 0.00 0.43 0.00 0.00 57.03 57.57 1iqn h ASP 126 Cb 0.48 0.10 -0.05 0.00 -0.56 0.00 0.00 39.33 39.29 1iqn h ASP 126 CO -0.44 -0.25 0.27 -0.25 -1.57 0.00 0.00 179.24 176.99 1iqn h TRP 127 N -0.45 0.49 0.42 4.55 7.01 -1.98 -0.43 115.95 125.57 1iqn h TRP 127 Ca -0.04 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 60.97 1iqn h TRP 127 Cb 0.34 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.25 1iqn h TRP 127 CO -0.05 0.23 -0.33 0.00 -2.79 0.00 0.00 178.44 175.49 1iqn h ALA 128 N 1.30 -0.77 -0.48 2.65 0.00 -0.88 0.92 119.26 122.00 1iqn h ALA 128 Ca 0.25 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1iqn h ALA 128 Cb 0.17 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1iqn h ALA 128 CO -0.18 -0.96 0.28 0.93 0.00 0.00 0.00 179.25 179.32 1iqn h GLU 129 N -0.75 0.64 0.24 0.00 5.08 -0.94 0.23 114.58 119.08 1iqn h GLU 129 Ca -0.04 -0.05 -0.33 0.00 -1.00 0.00 0.00 59.36 57.94 1iqn h GLU 129 Cb 0.65 -0.14 0.04 0.00 0.50 0.00 0.00 28.75 29.80 1iqn h GLU 129 CO -0.01 0.46 -1.42 1.03 -1.00 0.00 0.00 179.01 178.07 1iqn h SER 130 N 0.66 0.84 0.00 1.42 0.87 -0.75 -3.38 113.55 113.21 1iqn h SER 130 Ca 0.17 -0.91 -0.20 0.00 -1.23 0.00 0.00 61.79 59.62 1iqn h SER 130 Cb -0.01 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.64 1iqn h SER 130 CO -0.03 1.69 -1.72 0.41 -0.53 0.00 0.00 176.83 176.64 1iqn n THR 131 N -3.75 0.72 0.05 2.23 -1.04 0.32 -4.39 114.28 108.42 1iqn n THR 131 Ca -0.16 -0.25 -0.13 0.00 -2.04 0.00 0.00 64.05 61.47 1iqn n THR 131 Cb 1.08 -1.15 -0.09 0.00 -1.82 0.00 0.00 70.33 68.35 1iqn n THR 131 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1iqn h LEU 131 N -0.14 -0.12 -0.08 -4.42 4.07 -0.62 -3.20 115.31 110.80 1iqn h LEU 131 Ca -0.30 -0.32 0.00 0.00 0.08 0.00 0.00 57.88 57.34 1iqn h LEU 131 Cb 1.40 0.03 0.00 0.00 1.08 0.00 0.00 40.66 43.17 1iqn h LEU 131 CO -0.09 0.27 -0.12 0.23 -1.08 0.00 0.00 178.44 177.66 1iqn n MET 131 N -4.97 0.33 0.00 1.13 2.81 -0.61 -2.86 117.12 112.94 1iqn n MET 131 Ca -0.09 -0.08 0.13 0.00 -1.81 0.00 0.00 57.70 55.85 1iqn n MET 131 Cb 0.23 -1.50 0.41 0.00 -0.71 0.00 0.00 33.22 31.65 1iqn n MET 131 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1iqn n THR 132 N -1.26 0.00 -0.71 2.03 -2.24 -1.24 -4.87 114.28 105.98 1iqn n THR 132 Ca 0.11 -0.19 -0.29 0.00 -2.27 0.00 0.00 64.05 61.41 1iqn n THR 132 Cb 0.30 0.50 0.25 0.00 -2.10 0.00 0.00 70.33 69.28 1iqn n THR 132 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1iqn s GLN 133 N -2.30 -1.38 -0.05 -0.78 2.00 -1.14 -4.98 119.66 111.04 1iqn s GLN 133 Ca 0.29 0.38 -0.22 0.00 -2.00 0.00 0.00 55.36 53.81 1iqn s GLN 133 Cb 0.20 -1.54 -0.31 0.00 0.80 0.00 0.00 33.01 32.16 1iqn s GLN 133 CO 0.45 -3.91 0.90 0.87 -0.50 0.00 0.00 175.29 173.09 1iqn h LYS 134 N -2.74 0.30 -4.78 1.67 1.79 -1.89 -3.44 116.57 107.48 1iqn h LYS 134 Ca -0.52 -0.50 -0.37 0.00 -2.18 0.00 0.00 60.65 57.07 1iqn h LYS 134 Cb 1.33 0.19 -0.14 0.00 -1.58 0.00 0.00 32.23 32.03 1iqn h LYS 134 CO 0.43 1.24 -0.55 0.95 -1.08 0.00 0.00 179.45 180.43 1iqn s THR 135 N -2.45 0.05 0.30 -0.16 -4.23 -1.26 -2.01 115.64 105.87 1iqn s THR 135 Ca -0.14 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.43 1iqn s THR 135 Cb 0.01 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.32 1iqn s THR 135 CO 0.83 0.00 0.23 -0.83 -0.54 0.00 0.00 174.62 174.31 1iqn s GLY 136 N -3.29 2.13 -0.06 3.99 0.00 -0.62 -4.69 107.32 104.79 1iqn s GLY 136 Ca 0.39 -1.95 0.04 0.00 0.00 0.00 0.00 44.72 43.20 1iqn s GLY 136 CO 0.20 -1.47 -0.17 -0.42 0.00 0.00 0.00 173.10 171.23 1iqn s ILE 137 N -3.61 1.47 0.17 0.90 -1.09 0.18 -1.10 121.20 118.12 1iqn s ILE 137 Ca 0.40 -0.71 0.11 0.00 -2.23 0.00 0.00 60.65 58.22 1iqn s ILE 137 Cb 0.04 -1.28 -0.04 0.00 -1.58 0.00 0.00 42.46 39.59 1iqn s ILE 137 CO 0.23 0.43 -0.24 0.54 -1.23 0.00 0.00 174.94 174.67 1iqn s VAL 138 N 0.27 2.39 0.25 2.92 0.11 -0.76 0.17 120.40 125.74 1iqn s VAL 138 Ca -0.10 -1.90 -0.18 0.00 -2.93 0.00 0.00 61.98 56.87 1iqn s VAL 138 Cb -0.14 -2.12 0.01 0.00 -1.53 0.00 0.00 36.38 32.61 1iqn s VAL 138 CO 0.04 -0.04 0.60 -0.94 -3.33 0.00 0.00 175.10 171.43 1iqn s SER 139 N -2.46 -0.21 0.00 3.54 1.04 -1.13 -0.92 113.70 113.56 1iqn s SER 139 Ca 0.19 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1iqn s SER 139 Cb -0.09 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1iqn s SER 139 CO 0.09 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 173.70 1iqn n GLY 140 N -0.41 -2.89 1.32 7.32 0.00 -0.46 -4.33 105.19 105.73 1iqn n GLY 140 Ca -0.05 -1.32 0.10 0.00 0.00 0.00 0.00 46.02 44.76 1iqn n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1iqn n PHE 141 N -0.80 1.05 -0.32 1.61 3.72 -1.26 -1.68 117.46 119.77 1iqn n PHE 141 Ca 0.00 -0.54 -0.30 0.00 -0.05 0.00 0.00 57.45 56.56 1iqn n PHE 141 Cb 0.00 -0.07 0.29 0.00 -0.94 0.00 0.00 39.48 38.76 1iqn n PHE 141 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1iqn s GLY 142 N -1.00 1.41 0.54 1.37 0.00 -1.26 -0.51 107.32 107.87 1iqn s GLY 142 Ca 0.46 -0.76 -0.21 0.00 0.00 0.00 0.00 44.72 44.21 1iqn s GLY 142 CO 0.28 0.24 1.29 0.50 0.00 0.00 0.00 173.10 175.42 1iqn s ARG 143 N -5.00 3.20 0.00 2.90 0.52 -0.26 -1.75 118.95 118.56 1iqn s ARG 143 Ca 0.68 2.07 0.27 0.00 -0.52 0.00 0.00 55.73 58.24 1iqn s ARG 143 Cb -0.14 -2.22 0.81 0.00 0.52 0.00 0.00 34.95 33.92 1iqn s ARG 143 CO 0.59 -1.09 1.60 0.25 0.02 0.00 0.00 175.30 176.67 1iqn n THR 144 N -1.05 0.00 -3.86 0.02 -2.24 -1.25 -1.04 114.28 104.87 1iqn n THR 144 Ca 0.11 -0.25 -0.09 0.00 -2.27 0.00 0.00 64.05 61.54 1iqn n THR 144 Cb 0.46 0.63 -0.05 0.00 -2.10 0.00 0.00 70.33 69.28 1iqn n THR 144 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1iqn s HIS 145 N -2.16 0.12 0.36 4.78 3.76 -1.26 -4.29 115.29 116.60 1iqn s HIS 145 Ca 0.32 -0.47 0.12 0.00 -0.15 0.00 0.00 55.06 54.88 1iqn s HIS 145 Cb 0.20 0.24 0.69 0.00 1.11 0.00 0.00 32.58 34.83 1iqn s HIS 145 CO 0.39 -0.89 1.81 1.49 -0.85 0.00 0.00 174.74 176.69 1iqn h GLU 147 N 2.30 0.01 -0.01 1.40 4.81 -1.90 -3.20 114.58 117.98 1iqn h GLU 147 Ca -0.29 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1iqn h GLU 147 Cb 1.25 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1iqn h GLU 147 CO 0.39 0.39 -0.25 1.63 -0.73 0.00 0.00 179.01 180.44 1iqn n LYS 148 N -4.08 2.58 0.00 1.92 5.02 -1.26 -4.97 118.16 117.37 1iqn n LYS 148 Ca -0.02 -0.44 0.00 0.00 -2.02 0.00 0.00 58.31 55.83 1iqn n LYS 148 Cb 0.42 -1.03 0.00 0.00 -0.02 0.00 0.00 35.03 34.40 1iqn n LYS 148 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iqn n GLY 149 N 0.96 -2.56 3.75 0.72 0.00 -1.21 -5.07 105.19 101.77 1iqn n GLY 149 Ca 0.03 -1.36 -0.23 0.00 0.00 0.00 0.00 46.02 44.46 1iqn n GLY 149 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1iqn s ARG 150 N -1.07 2.36 0.05 1.61 1.70 -1.26 -4.90 118.95 117.44 1iqn s ARG 150 Ca 0.00 -1.61 -0.35 0.00 -0.47 0.00 0.00 55.73 53.30 1iqn s ARG 150 Cb 0.00 -2.16 -0.14 0.00 -0.57 0.00 0.00 34.95 32.08 1iqn s ARG 150 CO 0.00 0.02 1.61 0.94 -1.08 0.00 0.00 175.30 176.80 1iqn n GLN 151 N -1.22 1.88 -1.64 3.89 -0.06 -1.26 -3.79 117.38 115.18 1iqn n GLN 151 Ca -0.02 0.68 -0.37 0.00 -2.00 0.00 0.00 57.00 55.30 1iqn n GLN 151 Cb 0.62 -2.44 0.07 0.00 -4.06 0.00 0.00 30.24 24.43 1iqn n GLN 151 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1iqn n SER 152 N 4.14 1.61 0.01 1.69 2.88 0.33 -4.88 113.62 119.39 1iqn n SER 152 Ca 0.19 0.80 0.11 0.00 -1.33 0.00 0.00 58.87 58.64 1iqn n SER 152 Cb 0.26 -1.51 -0.06 0.00 -0.75 0.00 0.00 64.21 62.15 1iqn n SER 152 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1iqn n THR 153 N -2.01 0.07 -4.82 2.46 5.66 -1.26 -4.78 114.28 109.60 1iqn n THR 153 Ca 0.15 -0.21 -0.28 0.00 -3.05 0.00 0.00 64.05 60.66 1iqn n THR 153 Cb 0.48 0.44 -0.14 0.00 -1.55 0.00 0.00 70.33 69.56 1iqn n THR 153 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1iqn s ARG 154 N -3.19 1.65 0.10 1.09 1.81 -1.26 -0.37 118.95 118.78 1iqn s ARG 154 Ca 0.03 -1.04 -0.31 0.00 -1.72 0.00 0.00 55.73 52.69 1iqn s ARG 154 Cb 0.15 -1.80 -0.07 0.00 -0.45 0.00 0.00 34.95 32.78 1iqn s ARG 154 CO 0.85 0.47 1.28 -1.17 -0.68 0.00 0.00 175.30 176.04 1iqn s LEU 155 N -1.20 4.38 0.22 2.53 2.96 -0.76 -4.66 118.68 122.14 1iqn s LEU 155 Ca 0.10 2.18 0.11 0.00 -0.22 0.00 0.00 54.13 56.30 1iqn s LEU 155 Cb -0.10 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 1iqn s LEU 155 CO 0.02 -0.53 -0.21 -0.54 -1.32 0.00 0.00 176.35 173.77 1iqn s LYS 156 N 0.89 1.51 0.24 1.98 1.02 -0.68 -1.44 119.74 123.26 1iqn s LYS 156 Ca 0.60 -1.60 0.07 0.00 0.02 0.00 0.00 55.97 55.07 1iqn s LYS 156 Cb -0.33 -1.65 -0.05 0.00 -0.52 0.00 0.00 37.83 35.28 1iqn s LYS 156 CO 0.31 0.33 -0.11 0.00 -0.92 0.00 0.00 175.35 174.96 1iqn s MET 157 N -3.09 1.43 -0.25 1.68 0.23 -0.26 -1.36 119.30 117.68 1iqn s MET 157 Ca 0.23 -1.68 -0.13 0.00 -1.03 0.00 0.00 55.69 53.08 1iqn s MET 157 Cb -0.06 -1.14 0.08 0.00 -1.53 0.00 0.00 34.83 32.18 1iqn s MET 157 CO 0.11 0.12 0.60 -1.17 -2.03 0.00 0.00 175.02 172.65 1iqn s LEU 158 N -3.37 -0.73 -0.38 0.18 0.20 -0.10 -2.22 118.68 112.26 1iqn s LEU 158 Ca 0.26 1.34 -0.28 0.00 0.69 0.00 0.00 54.13 56.14 1iqn s LEU 158 Cb 0.01 2.07 0.02 0.00 -0.43 0.00 0.00 46.19 47.86 1iqn s LEU 158 CO 0.09 -0.23 1.03 -0.70 -0.29 0.00 0.00 176.35 176.26 1iqn s GLU 159 N 1.70 3.89 -0.17 1.98 2.12 -1.26 -1.83 118.70 125.13 1iqn s GLU 159 Ca -0.09 0.75 -0.01 0.00 0.36 0.00 0.00 54.97 55.98 1iqn s GLU 159 Cb -0.07 -3.81 -0.00 0.00 0.26 0.00 0.00 34.13 30.51 1iqn s GLU 159 CO -0.18 -1.04 -0.13 0.14 -0.54 0.00 0.00 175.26 173.51 1iqn s VAL 160 N 3.79 2.85 0.58 3.70 -7.23 -0.26 -4.95 120.40 118.88 1iqn s VAL 160 Ca 0.43 -0.70 -0.19 0.00 -1.81 0.00 0.00 61.98 59.71 1iqn s VAL 160 Cb -0.11 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 1iqn s VAL 160 CO 0.21 0.50 1.23 -2.84 -0.31 0.00 0.00 175.10 173.89 1iqn s PRO 161 N 0.93 3.01 0.26 4.82 0.02 -1.26 -1.58 135.00 141.21 1iqn s PRO 161 Ca -0.03 1.90 -0.30 0.00 0.02 0.00 0.00 61.00 62.60 1iqn s PRO 161 Cb -0.15 -2.00 -0.09 0.00 0.02 0.00 0.00 34.50 32.28 1iqn s PRO 161 CO -0.01 -1.19 1.11 0.71 -0.33 0.00 0.00 177.00 177.28 1iqn s TYR 162 N -1.53 3.57 -0.18 6.54 2.02 -0.85 -0.23 117.35 126.69 1iqn s TYR 162 Ca 0.76 1.67 -0.06 0.00 -0.37 0.00 0.00 57.07 59.07 1iqn s TYR 162 Cb -0.32 -3.29 -0.03 0.00 -0.40 0.00 0.00 41.96 37.91 1iqn s TYR 162 CO 0.36 -0.60 0.01 0.08 -1.57 0.00 0.00 175.55 173.83 1iqn s VAL 163 N -0.97 4.28 0.16 0.71 1.01 -0.85 -4.86 120.40 119.89 1iqn s VAL 163 Ca 0.46 -0.21 -0.32 0.00 0.00 0.00 0.00 61.98 61.91 1iqn s VAL 163 Cb -0.32 -2.92 -0.17 0.00 0.00 0.00 0.00 36.38 32.98 1iqn s VAL 163 CO 0.40 0.46 0.85 -0.67 0.00 0.00 0.00 175.10 176.14 1iqn n ASP 164 N 3.72 -0.11 0.12 3.32 2.03 -1.26 -4.58 116.55 119.79 1iqn n ASP 164 Ca -0.17 1.14 0.05 0.00 0.52 0.00 0.00 54.79 56.34 1iqn n ASP 164 Cb 0.52 -1.04 0.49 0.00 -0.72 0.00 0.00 41.12 40.37 1iqn n ASP 164 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1iqn h ARG 165 N 2.11 0.28 0.42 -0.67 2.43 -1.97 -2.77 114.38 114.21 1iqn h ARG 165 Ca -0.38 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.74 1iqn h ARG 165 Cb 1.41 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 1iqn h ARG 165 CO 0.62 0.24 -0.20 -0.91 -1.51 0.00 0.00 179.97 178.21 1iqn h ASN 166 N 0.28 -0.48 -0.93 -3.80 2.35 -2.01 -3.10 115.58 107.90 1iqn h ASN 166 Ca 0.07 0.02 0.27 0.00 -0.55 0.00 0.00 56.30 56.11 1iqn h ASN 166 Cb 0.07 0.12 -0.16 0.00 0.05 0.00 0.00 38.32 38.40 1iqn h ASN 166 CO -0.01 -0.24 0.18 0.28 -1.65 0.00 0.00 177.43 175.99 1iqn h SER 167 N -0.76 -0.17 -0.69 5.81 0.02 -1.93 0.21 113.55 116.03 1iqn h SER 167 Ca -0.06 0.24 0.12 0.00 -0.84 0.00 0.00 61.79 61.25 1iqn h SER 167 Cb 0.43 0.36 -0.13 0.00 0.14 0.00 0.00 62.40 63.20 1iqn h SER 167 CO 0.09 -0.27 -0.34 0.00 -1.14 0.00 0.00 176.83 175.17 1iqn h LYS 169 N -0.12 0.14 -0.49 0.00 1.57 -0.58 -2.26 116.57 114.84 1iqn h LYS 169 Ca 0.26 -0.08 0.14 0.00 -1.87 0.00 0.00 60.65 59.10 1iqn h LYS 169 Cb 0.56 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1iqn h LYS 169 CO -0.76 0.62 0.42 -0.07 -0.57 0.00 0.00 179.45 179.09 1iqn h LEU 170 N -0.32 0.00 0.00 2.94 3.38 -0.05 0.23 115.31 121.49 1iqn h LEU 170 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1iqn h LEU 170 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1iqn h LEU 170 CO 0.02 0.00 -0.97 -1.54 0.09 0.00 0.00 178.44 176.04 1iqn n SER 171 N -4.02 0.91 -4.72 -0.43 3.41 0.13 -4.95 113.62 103.95 1iqn n SER 171 Ca 0.09 -0.88 -0.38 0.00 -0.26 0.00 0.00 58.87 57.44 1iqn n SER 171 Cb 0.63 0.93 -0.06 0.00 -0.26 0.00 0.00 64.21 65.45 1iqn n SER 171 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1iqn s SER 172 N -3.05 6.66 0.11 4.04 0.15 0.07 -4.76 113.70 116.91 1iqn s SER 172 Ca 0.08 0.78 0.22 0.00 0.70 0.00 0.00 55.95 57.73 1iqn s SER 172 Cb 0.16 -2.28 0.89 0.00 -1.71 0.00 0.00 66.02 63.08 1iqn s SER 172 CO 0.85 0.00 1.69 -1.20 1.20 0.00 0.00 173.24 175.78 1iqn n SER 173 N 3.71 0.33 -4.34 5.45 7.64 -1.26 -4.76 113.62 120.38 1iqn n SER 173 Ca -0.07 0.56 -0.21 0.00 1.01 0.00 0.00 58.87 60.16 1iqn n SER 173 Cb 0.52 -0.64 -0.11 0.00 -1.01 0.00 0.00 64.21 62.97 1iqn n SER 173 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1iqn s PHE 174 N -3.10 1.79 -0.24 1.43 0.08 -1.26 -5.09 117.98 111.59 1iqn s PHE 174 Ca 0.08 -0.50 -0.29 0.00 0.12 0.00 0.00 56.93 56.35 1iqn s PHE 174 Cb 0.12 -0.86 -0.03 0.00 -0.57 0.00 0.00 43.02 41.67 1iqn s PHE 174 CO 0.42 0.36 1.85 0.42 -0.10 0.00 0.00 175.22 178.16 1iqn s ILE 175 N -2.43 3.40 -0.62 0.64 1.01 -1.26 -4.93 121.20 117.02 1iqn s ILE 175 Ca 0.19 0.44 -0.28 0.00 0.00 0.00 0.00 60.65 60.99 1iqn s ILE 175 Cb -0.04 -3.47 0.03 0.00 0.01 0.00 0.00 42.46 38.99 1iqn s ILE 175 CO 0.07 -0.25 1.24 -0.63 0.00 0.00 0.00 174.94 175.37 1iqn s ILE 176 N 6.45 3.91 0.90 2.92 -1.09 -1.26 -4.99 121.20 128.04 1iqn s ILE 176 Ca 0.82 0.75 -0.13 0.00 -2.23 0.00 0.00 60.65 59.87 1iqn s ILE 176 Cb -0.27 -4.74 0.14 0.00 -1.58 0.00 0.00 42.46 36.00 1iqn s ILE 176 CO 0.33 -1.45 1.19 0.42 -1.23 0.00 0.00 174.94 174.20 1iqn s THR 177 N 5.29 1.98 0.59 2.92 -4.23 -1.26 -4.93 115.64 116.00 1iqn s THR 177 Ca 0.42 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 61.22 1iqn s THR 177 Cb -0.08 -2.87 0.36 0.00 1.34 0.00 0.00 72.50 71.25 1iqn s THR 177 CO 0.23 0.00 2.06 0.06 -0.54 0.00 0.00 174.62 176.43 1iqn h GLN 178 N -1.42 0.00 -0.69 3.99 3.07 -2.03 -1.55 115.11 116.48 1iqn h GLN 178 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.27 1iqn h GLN 178 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.87 1iqn h GLN 178 CO 0.58 0.00 0.00 0.09 0.09 0.00 0.00 178.83 179.59 1iqn n ASN 179 N -3.77 4.48 -4.29 0.06 3.02 -1.26 -4.91 115.26 108.58 1iqn n ASN 179 Ca 0.03 -2.68 -0.15 0.00 -0.03 0.00 0.00 54.58 51.75 1iqn n ASN 179 Cb 0.39 -0.64 -0.10 0.00 -0.61 0.00 0.00 39.78 38.82 1iqn n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1iqn s MET 180 N -2.29 1.36 -0.24 3.52 -1.94 -0.58 -1.24 119.30 117.89 1iqn s MET 180 Ca 0.40 -1.73 -0.26 0.00 -1.71 0.00 0.00 55.69 52.39 1iqn s MET 180 Cb 0.31 -0.13 0.10 0.00 2.01 0.00 0.00 34.83 37.11 1iqn s MET 180 CO 0.12 -0.32 0.87 -0.59 -0.01 0.00 0.00 175.02 175.09 1iqn s PHE 181 N -3.85 -0.61 0.23 -0.03 -0.12 -0.68 -4.72 117.98 108.20 1iqn s PHE 181 Ca 0.38 1.41 -0.16 0.00 -0.05 0.00 0.00 56.93 58.51 1iqn s PHE 181 Cb 0.08 0.34 -0.08 0.00 -0.63 0.00 0.00 43.02 42.73 1iqn s PHE 181 CO 0.13 -0.34 0.67 0.00 -0.05 0.00 0.00 175.22 175.63 1iqn s ALA 183 N -1.67 -1.21 0.00 0.00 0.00 -0.89 -2.00 121.76 115.99 1iqn s ALA 183 Ca 0.45 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.68 1iqn s ALA 183 Cb -0.14 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.33 1iqn s ALA 183 CO 0.20 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1iqn n GLY 184 N 2.51 0.56 3.33 0.00 0.00 0.68 -2.07 105.19 110.20 1iqn n GLY 184 Ca -0.15 -1.79 -0.20 0.00 0.00 0.00 0.00 46.02 43.88 1iqn n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iqn s TYR 185 N -2.38 1.73 -0.13 1.61 2.02 -1.26 -4.00 117.35 114.94 1iqn s TYR 185 Ca 0.00 -0.53 -0.15 0.00 -0.37 0.00 0.00 57.07 56.03 1iqn s TYR 185 Cb 0.00 -0.83 -0.12 0.00 -0.40 0.00 0.00 41.96 40.60 1iqn s TYR 185 CO 0.00 0.34 0.30 0.22 -1.57 0.00 0.00 175.55 174.83 1iqn h ASP 185 N 2.90 0.00 0.00 2.29 -0.00 -1.90 -3.43 116.42 116.29 1iqn h ASP 185 Ca -0.40 -0.44 -0.21 0.00 -0.00 0.00 0.00 57.03 55.98 1iqn h ASP 185 Cb 1.21 0.00 -0.04 0.00 -0.00 0.00 0.00 39.33 40.51 1iqn h ASP 185 CO 0.57 0.84 -1.80 0.35 -0.00 0.00 0.00 179.24 179.19 1iqn n THR 185 N -4.66 0.81 -1.58 2.25 -2.24 -1.26 -0.86 114.28 106.74 1iqn n THR 185 Ca -0.08 -0.31 -0.53 0.00 -2.27 0.00 0.00 64.05 60.86 1iqn n THR 185 Cb 0.29 -1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 67.44 1iqn n THR 185 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1iqn n LYS 186 N -2.94 0.94 -1.41 -0.78 4.81 -1.26 -4.74 118.16 112.78 1iqn n LYS 186 Ca -0.25 0.34 -0.39 0.00 -0.87 0.00 0.00 58.31 57.13 1iqn n LYS 186 Cb 0.76 -1.96 -0.02 0.00 0.02 0.00 0.00 35.03 33.84 1iqn n LYS 186 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1iqn n GLN 187 N 2.41 2.70 -3.73 1.64 1.13 -1.26 -4.75 117.38 115.51 1iqn n GLN 187 Ca 0.19 -2.24 -0.12 0.00 -1.94 0.00 0.00 57.00 52.89 1iqn n GLN 187 Cb 0.17 -3.02 -0.12 0.00 0.11 0.00 0.00 30.24 27.38 1iqn n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1iqn s GLU 188 N 3.34 0.28 0.00 -1.09 2.02 -1.26 -4.29 118.70 117.72 1iqn s GLU 188 Ca 0.53 0.55 0.00 0.00 0.02 0.00 0.00 54.97 56.08 1iqn s GLU 188 Cb 0.15 -0.02 0.00 0.00 0.10 0.00 0.00 34.13 34.36 1iqn s GLU 188 CO -0.04 -0.13 0.00 -3.47 0.02 0.00 0.00 175.26 171.65 1iqn n ASP 189 N 3.87 0.00 -3.66 -0.19 2.03 -1.09 -4.27 116.55 113.24 1iqn n ASP 189 Ca -0.21 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 54.83 1iqn n ASP 189 Cb 0.55 0.00 0.19 0.00 -0.72 0.00 0.00 41.12 41.14 1iqn n ASP 189 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iqn n ALA 190 N -0.26 -1.67 -3.34 -1.67 0.00 -1.26 -0.11 120.51 112.20 1iqn n ALA 190 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 53.44 51.90 1iqn n ALA 190 Cb 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 19.45 19.38 1iqn n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iqn n GLN 192 N -0.24 1.19 0.00 0.00 7.27 -1.26 -1.69 117.38 122.66 1iqn n GLN 192 Ca -0.03 0.42 0.00 0.00 0.07 0.00 0.00 57.00 57.45 1iqn n GLN 192 Cb 0.25 -1.75 0.00 0.00 2.41 0.00 0.00 30.24 31.15 1iqn n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1iqn n GLY 193 N 1.31 3.18 0.01 1.69 0.00 -1.26 -1.10 105.19 109.01 1iqn n GLY 193 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 1iqn n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iqn n ASP 194 N 0.01 0.17 -4.63 1.61 10.43 -0.68 -3.85 116.55 119.61 1iqn n ASP 194 Ca 0.00 0.31 -0.39 0.00 2.57 0.00 0.00 54.79 57.28 1iqn n ASP 194 Cb 0.00 -0.31 0.03 0.00 1.84 0.00 0.00 41.12 42.68 1iqn n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1iqn n SER 195 N -1.54 1.29 0.00 -2.24 7.64 -1.26 -1.63 113.62 115.87 1iqn n SER 195 Ca 0.07 0.93 0.00 0.00 1.01 0.00 0.00 58.87 60.87 1iqn n SER 195 Cb 0.34 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 1iqn n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iqn n GLY 196 N 1.16 3.00 3.45 0.23 0.00 0.21 0.84 105.19 114.08 1iqn n GLY 196 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1iqn n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iqn s GLY 197 N -1.25 1.51 0.24 -0.02 0.00 -0.65 -2.91 107.32 104.24 1iqn s GLY 197 Ca 0.00 -0.34 -0.15 0.00 0.00 0.00 0.00 44.72 44.23 1iqn s GLY 197 CO 0.00 0.46 0.66 2.56 0.00 0.00 0.00 173.10 176.78 1iqn s PRO 198 N -4.63 4.03 -0.19 2.90 0.04 -1.26 -1.87 135.00 134.03 1iqn s PRO 198 Ca 0.68 0.62 0.00 0.00 0.04 0.00 0.00 61.00 62.35 1iqn s PRO 198 Cb -0.22 -2.69 0.04 0.00 0.04 0.00 0.00 34.50 31.67 1iqn s PRO 198 CO 0.63 0.31 -0.08 -1.58 0.04 0.00 0.00 177.00 176.32 1iqn s HIS 199 N -1.72 2.11 0.12 0.56 2.46 0.06 -2.84 115.29 116.04 1iqn s HIS 199 Ca 0.47 -1.38 0.09 0.00 0.47 0.00 0.00 55.06 54.71 1iqn s HIS 199 Cb -0.13 -1.50 -0.04 0.00 -0.13 0.00 0.00 32.58 30.78 1iqn s HIS 199 CO 0.19 -0.69 -0.23 0.14 -2.47 0.00 0.00 174.74 171.69 1iqn s VAL 200 N 1.50 1.92 -0.08 0.89 -7.23 0.13 -1.04 120.40 116.49 1iqn s VAL 200 Ca -0.00 -1.67 0.03 0.00 -1.81 0.00 0.00 61.98 58.53 1iqn s VAL 200 Cb -0.16 -1.75 -0.02 0.00 0.56 0.00 0.00 36.38 35.02 1iqn s VAL 200 CO -0.08 -0.04 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.63 1iqn s THR 201 N -1.23 2.89 0.01 5.32 2.01 -0.20 0.49 115.64 124.93 1iqn s THR 201 Ca 0.10 -0.76 -0.19 0.00 0.31 0.00 0.00 61.69 61.15 1iqn s THR 201 Cb -0.10 -2.15 -0.06 0.00 0.01 0.00 0.00 72.50 70.21 1iqn s THR 201 CO 0.05 0.57 0.53 -0.60 -0.69 0.00 0.00 174.62 174.48 1iqn s ARG 202 N -0.30 4.19 -0.22 4.92 3.52 -1.26 -1.45 118.95 128.36 1iqn s ARG 202 Ca 0.02 0.64 -0.04 0.00 -0.13 0.00 0.00 55.73 56.22 1iqn s ARG 202 Cb -0.13 -3.29 0.11 0.00 -1.56 0.00 0.00 34.95 30.09 1iqn s ARG 202 CO 0.03 0.52 0.32 0.12 -0.81 0.00 0.00 175.30 175.47 1iqn s PHE 203 N -0.64 -0.61 -1.38 5.12 5.36 -0.01 -4.90 117.98 120.91 1iqn s PHE 203 Ca 0.28 0.69 -0.03 0.00 -0.96 0.00 0.00 56.93 56.92 1iqn s PHE 203 Cb -0.18 -0.09 0.02 0.00 -0.34 0.00 0.00 43.02 42.43 1iqn s PHE 203 CO 0.16 -0.63 0.65 1.63 -1.46 0.00 0.00 175.22 175.57 1iqn n LYS 204 N 5.35 -4.42 -2.42 10.12 5.02 -1.26 -1.68 118.16 128.86 1iqn n LYS 204 Ca -0.05 0.54 -0.20 0.00 -2.02 0.00 0.00 58.31 56.59 1iqn n LYS 204 Cb 0.50 -5.01 -0.01 0.00 -0.02 0.00 0.00 35.03 30.49 1iqn n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1iqn n ASP 205 N -2.99 -5.65 -3.95 4.39 8.00 -1.26 -4.99 116.55 110.10 1iqn n ASP 205 Ca -0.25 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.06 1iqn n ASP 205 Cb 0.65 -4.71 -0.16 0.00 -0.02 0.00 0.00 41.12 36.88 1iqn n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1iqn s THR 206 N -2.99 0.68 -0.11 -3.53 2.01 -0.68 -5.15 115.64 105.87 1iqn s THR 206 Ca 0.01 -0.25 -0.06 0.00 0.31 0.00 0.00 61.69 61.71 1iqn s THR 206 Cb -0.00 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 1iqn s THR 206 CO 0.01 0.24 0.10 -0.31 -0.69 0.00 0.00 174.62 173.98 1iqn s TYR 207 N 0.60 3.49 -0.02 4.92 1.51 -1.26 -0.83 117.35 125.75 1iqn s TYR 207 Ca -0.09 0.44 0.06 0.00 -1.01 0.00 0.00 57.07 56.47 1iqn s TYR 207 Cb -0.12 -1.90 -0.01 0.00 -0.11 0.00 0.00 41.96 39.81 1iqn s TYR 207 CO 0.01 0.67 -0.20 -0.06 -1.11 0.00 0.00 175.55 174.86 1iqn s PHE 208 N -0.98 1.80 0.29 2.71 0.08 -0.53 -2.40 117.98 118.95 1iqn s PHE 208 Ca 0.15 -0.39 -0.29 0.00 0.12 0.00 0.00 56.93 56.51 1iqn s PHE 208 Cb -0.12 -1.17 -0.10 0.00 -0.57 0.00 0.00 43.02 41.06 1iqn s PHE 208 CO 0.04 -0.07 1.38 0.08 -0.10 0.00 0.00 175.22 176.55 1iqn s VAL 209 N -0.34 2.65 0.00 -0.44 1.01 0.28 -1.03 120.40 122.52 1iqn s VAL 209 Ca 0.04 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1iqn s VAL 209 Cb -0.09 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1iqn s VAL 209 CO 0.00 0.12 0.00 0.35 0.00 0.00 0.00 175.10 175.57 1iqn n THR 210 N 1.50 0.00 -3.49 3.92 -2.24 -0.20 -4.52 114.28 109.24 1iqn n THR 210 Ca 0.03 -0.02 -0.10 0.00 -2.27 0.00 0.00 64.05 61.69 1iqn n THR 210 Cb 0.41 0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.89 1iqn n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1iqn s GLY 211 N -0.55 -0.49 -0.10 3.38 0.00 -0.84 -2.58 107.32 106.14 1iqn s GLY 211 Ca 0.00 1.03 -0.01 0.00 0.00 0.00 0.00 44.72 45.75 1iqn s GLY 211 CO 0.00 0.43 -0.06 -0.42 0.00 0.00 0.00 173.10 173.05 1iqn s ILE 212 N -2.86 3.73 -0.21 0.90 1.01 -0.95 -0.76 121.20 122.06 1iqn s ILE 212 Ca 0.02 -0.45 -0.29 0.00 0.00 0.00 0.00 60.65 59.93 1iqn s ILE 212 Cb -0.01 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 1iqn s ILE 212 CO -0.07 0.56 1.79 -0.69 0.00 0.00 0.00 174.94 176.54 1iqn s VAL 213 N -0.38 3.46 0.00 2.92 1.01 -0.78 -0.58 120.40 126.04 1iqn s VAL 213 Ca 0.06 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1iqn s VAL 213 Cb -0.12 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1iqn s VAL 213 CO 0.02 -0.23 0.00 -0.24 0.00 0.00 0.00 175.10 174.65 1iqn n SER 214 N 9.23 0.00 -2.22 3.32 2.88 -1.05 0.65 113.62 126.42 1iqn n SER 214 Ca 0.22 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.68 1iqn n SER 214 Cb 0.45 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 1iqn n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1iqn n TRP 215 N -2.42 -1.52 0.00 0.66 4.27 -0.53 -4.87 117.44 113.03 1iqn n TRP 215 Ca 0.00 -1.36 0.00 0.00 -3.89 0.00 0.00 57.50 52.25 1iqn n TRP 215 Cb 0.00 0.49 0.00 0.00 -1.36 0.00 0.00 31.31 30.44 1iqn n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1iqn n GLY 216 N -0.36 0.58 3.35 -1.67 0.00 -1.26 -0.23 105.19 105.59 1iqn n GLY 216 Ca -0.03 -0.73 -0.46 0.00 0.00 0.00 0.00 46.02 44.81 1iqn n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iqn s GLU 217 N -2.00 3.33 1.86 1.61 2.02 -1.26 -4.92 118.70 119.33 1iqn s GLU 217 Ca 0.00 -1.96 0.00 0.00 0.02 0.00 0.00 54.97 53.03 1iqn s GLU 217 Cb 0.00 -4.41 0.00 0.00 0.10 0.00 0.00 34.13 29.82 1iqn s GLU 217 CO 0.00 -1.40 0.00 0.41 0.02 0.00 0.00 175.26 174.29 1iqn n GLY 218 N 4.74 -1.50 2.92 -1.39 0.00 -1.26 -4.65 105.19 104.06 1iqn n GLY 218 Ca 0.03 -1.36 -0.24 0.00 0.00 0.00 0.00 46.02 44.44 1iqn n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqn n ALA 221 N 4.46 -0.75 -1.76 0.00 0.00 -1.26 -4.74 120.51 116.46 1iqn n ALA 221 Ca -0.17 0.12 -0.40 0.00 0.00 0.00 0.00 53.44 52.99 1iqn n ALA 221 Cb 0.51 -1.75 -0.03 0.00 0.00 0.00 0.00 19.45 18.17 1iqn n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1iqn s ARG 222 N -5.07 4.49 0.26 0.00 0.52 -1.26 -4.72 118.95 113.17 1iqn s ARG 222 Ca 0.01 1.95 -0.31 0.00 -0.52 0.00 0.00 55.73 56.86 1iqn s ARG 222 Cb -0.01 -3.10 -0.12 0.00 0.52 0.00 0.00 34.95 32.25 1iqn s ARG 222 CO 0.02 0.03 1.61 1.63 0.02 0.00 0.00 175.30 178.61 1iqn n LYS 223 N 0.94 2.64 -0.98 3.54 5.02 -1.24 -1.24 118.16 126.84 1iqn n LYS 223 Ca -0.00 0.94 0.00 0.00 -2.02 0.00 0.00 58.31 57.23 1iqn n LYS 223 Cb 0.44 -2.73 0.00 0.00 -0.02 0.00 0.00 35.03 32.72 1iqn n LYS 223 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iqn n GLY 223 N 2.69 0.96 3.31 0.72 0.00 -0.04 -5.00 105.19 107.82 1iqn n GLY 223 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1iqn n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iqn s LYS 224 N -0.02 1.84 0.34 1.61 3.01 -0.37 -4.74 119.74 121.42 1iqn s LYS 224 Ca 0.00 -0.99 0.09 0.00 -1.01 0.00 0.00 55.97 54.06 1iqn s LYS 224 Cb 0.00 -1.90 -0.05 0.00 -1.01 0.00 0.00 37.83 34.86 1iqn s LYS 224 CO 0.00 0.51 0.03 0.71 0.51 0.00 0.00 175.35 177.11 1iqn s TYR 225 N -0.70 2.57 0.14 3.18 2.02 -1.26 -4.53 117.35 118.76 1iqn s TYR 225 Ca 0.10 -0.44 -0.30 0.00 -0.37 0.00 0.00 57.07 56.07 1iqn s TYR 225 Cb -0.10 -1.53 -0.06 0.00 -0.40 0.00 0.00 41.96 39.87 1iqn s TYR 225 CO 0.01 0.45 0.94 0.20 -1.57 0.00 0.00 175.55 175.58 1iqn s GLY 226 N -3.74 3.02 -0.30 0.71 0.00 -0.88 -4.59 107.32 101.54 1iqn s GLY 226 Ca 0.35 0.56 -0.07 0.00 0.00 0.00 0.00 44.72 45.57 1iqn s GLY 226 CO 0.20 1.37 0.09 -0.42 0.00 0.00 0.00 173.10 174.34 1iqn s ILE 227 N -0.28 3.97 0.14 0.90 -1.09 0.69 -2.08 121.20 123.44 1iqn s ILE 227 Ca 0.45 -0.75 0.05 0.00 -2.23 0.00 0.00 60.65 58.16 1iqn s ILE 227 Cb -0.24 -3.08 -0.04 0.00 -1.58 0.00 0.00 42.46 37.53 1iqn s ILE 227 CO 0.30 0.03 0.09 -0.31 -1.23 0.00 0.00 174.94 173.82 1iqn s TYR 228 N 1.49 3.09 0.13 3.97 1.51 -0.65 -1.45 117.35 125.44 1iqn s TYR 228 Ca 0.02 -0.02 -0.30 0.00 -1.01 0.00 0.00 57.07 55.76 1iqn s TYR 228 Cb -0.18 -1.51 -0.06 0.00 -0.11 0.00 0.00 41.96 40.10 1iqn s TYR 228 CO 0.03 0.52 1.07 0.99 -1.11 0.00 0.00 175.55 177.04 1iqn s THR 229 N -1.63 4.13 -0.79 -0.71 2.01 0.25 -1.69 115.64 117.22 1iqn s THR 229 Ca 0.29 1.75 -0.26 0.00 0.31 0.00 0.00 61.69 63.78 1iqn s THR 229 Cb -0.10 -4.12 0.03 0.00 0.01 0.00 0.00 72.50 68.32 1iqn s THR 229 CO 0.22 0.26 1.38 -0.75 -0.69 0.00 0.00 174.62 175.03 1iqn s LYS 230 N 0.04 3.21 0.25 4.92 2.20 -0.37 -2.23 119.74 127.76 1iqn s LYS 230 Ca 0.50 -0.34 -0.05 0.00 -0.36 0.00 0.00 55.97 55.72 1iqn s LYS 230 Cb -0.27 -4.45 0.33 0.00 -1.51 0.00 0.00 37.83 31.93 1iqn s LYS 230 CO 0.32 -2.24 1.89 0.28 -0.36 0.00 0.00 175.35 175.25 1iqn h VAL 231 N 6.28 1.15 -0.01 4.02 2.07 -1.83 -1.98 116.25 125.95 1iqn h VAL 231 Ca -0.18 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1iqn h VAL 231 Cb 1.05 -0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1iqn h VAL 231 CO 1.30 0.22 0.12 0.71 0.02 0.00 0.00 177.57 179.94 1iqn h THR 232 N 1.21 0.02 -0.17 2.57 1.35 -1.90 -1.27 112.91 114.71 1iqn h THR 232 Ca 0.39 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.25 1iqn h THR 232 Cb 0.03 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 67.34 1iqn h THR 232 CO -0.13 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.14 1iqn n ALA 233 N -2.03 2.52 -1.03 6.62 0.00 -0.74 -3.87 120.51 121.98 1iqn n ALA 233 Ca -0.03 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1iqn n ALA 233 Cb 0.18 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1iqn n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1iqn n PHE 234 N 0.19 0.00 -0.02 0.00 3.72 -0.49 -4.94 117.46 115.92 1iqn n PHE 234 Ca 0.15 -0.05 -0.01 0.00 -0.05 0.00 0.00 57.45 57.49 1iqn n PHE 234 Cb 0.28 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 38.80 1iqn n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1iqn h LEU 235 N 0.00 -0.20 -1.89 4.37 4.07 -1.63 0.64 115.31 120.66 1iqn h LEU 235 Ca 0.00 0.03 0.32 0.00 0.08 0.00 0.00 57.88 58.31 1iqn h LEU 235 Cb 1.00 0.08 -0.05 0.00 1.08 0.00 0.00 40.66 42.77 1iqn h LEU 235 CO 0.00 -0.04 0.80 0.11 -1.08 0.00 0.00 178.44 178.23 1iqn h LYS 236 N -0.03 0.06 -0.17 1.13 1.57 -1.92 0.66 116.57 117.87 1iqn h LYS 236 Ca 0.01 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 1iqn h LYS 236 Cb 0.06 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1iqn h LYS 236 CO -0.07 0.04 -0.23 2.35 -0.57 0.00 0.00 179.45 180.97 1iqn h TRP 237 N 0.07 0.57 -0.98 -1.35 7.01 -1.00 -1.74 115.95 118.52 1iqn h TRP 237 Ca 0.56 -0.19 0.01 0.00 2.11 0.00 0.00 58.89 61.38 1iqn h TRP 237 Cb 2.08 -0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 28.98 1iqn h TRP 237 CO -0.00 0.87 0.63 0.82 -2.79 0.00 0.00 178.44 177.97 1iqn h ILE 238 N 0.10 1.26 -0.58 2.65 2.04 0.56 -1.10 117.51 122.45 1iqn h ILE 238 Ca 0.02 -0.49 -0.10 0.00 1.00 0.00 0.00 64.86 65.30 1iqn h ILE 238 Cb 0.80 -0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1iqn h ILE 238 CO 0.06 0.25 -0.03 0.44 0.00 0.00 0.00 178.15 178.87 1iqn h ASP 239 N 1.33 1.01 0.16 1.72 3.32 -0.88 -1.50 116.42 121.58 1iqn h ASP 239 Ca 0.36 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1iqn h ASP 239 Cb -0.13 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.14 1iqn h ASP 239 CO -0.07 1.08 -0.18 -0.09 -1.72 0.00 0.00 179.24 178.25 1iqn h ARG 240 N 0.94 0.05 0.01 3.56 2.43 -0.71 -2.03 114.38 118.63 1iqn h ARG 240 Ca 0.16 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.13 1iqn h ARG 240 Cb 0.58 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 1iqn h ARG 240 CO 0.03 0.24 -0.88 0.77 -1.51 0.00 0.00 179.97 178.62 1iqn h SER 241 N 0.05 0.14 -0.20 -3.80 0.02 -0.60 -3.09 113.55 106.07 1iqn h SER 241 Ca 0.01 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 1iqn h SER 241 Cb 0.35 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 1iqn h SER 241 CO 0.02 0.95 0.05 0.24 -1.14 0.00 0.00 176.83 176.96 1iqn h MET 242 N 0.05 0.40 -0.34 3.45 2.86 -0.55 0.62 114.93 121.42 1iqn h MET 242 Ca -0.03 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1iqn h MET 242 Cb 1.53 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.12 1iqn h MET 242 CO 0.13 0.38 0.00 1.63 1.06 0.00 0.00 176.91 180.11 1iqn n LYS 243 N -4.37 1.73 -2.56 1.72 4.76 -1.09 -4.96 118.16 113.39 1iqn n LYS 243 Ca 0.01 -1.02 -0.04 0.00 -2.87 0.00 0.00 58.31 54.39 1iqn n LYS 243 Cb 0.17 -1.27 -0.03 0.00 -1.84 0.00 0.00 35.03 32.05 1iqn n LYS 243 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1iqn n THR 244 N 0.31-12.45 -0.64 -0.18 -1.04 0.22 -5.08 114.28 95.42 1iqn n THR 244 Ca 0.09 2.76 0.00 0.00 -2.04 0.00 0.00 64.05 64.86 1iqn n THR 244 Cb 0.27 -6.22 0.00 0.00 -1.82 0.00 0.00 70.33 62.56 1iqn n THR 244 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29