#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqh s VAL 17 N 0.00 2.75 0.00 1.39 1.01 -0.27 -3.19 120.40 122.09 1iqh s VAL 17 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1iqh s VAL 17 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.21 1iqh s VAL 17 CO 0.00 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1iqh n GLY 18 N 4.17 0.20 0.74 4.51 0.00 -1.26 -2.79 105.19 110.75 1iqh n GLY 18 Ca -0.19 -0.96 0.09 0.00 0.00 0.00 0.00 46.02 44.96 1iqh n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqh n GLY 19 N 0.00 -2.30 0.00 -0.02 0.00 -1.26 -4.91 105.19 96.69 1iqh n GLY 19 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1iqh n GLY 19 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1iqh n GLN 20 N -3.42 1.20 -4.27 1.61 1.13 -0.82 -4.94 117.38 107.88 1iqh n GLN 20 Ca -0.02 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.69 1iqh n GLN 20 Cb 0.34 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.59 1iqh n GLN 20 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1iqh s GLU 21 N -1.33 3.40 -0.24 -1.09 2.12 -1.26 -2.76 118.70 117.53 1iqh s GLU 21 Ca 0.00 -0.41 -0.28 0.00 0.36 0.00 0.00 54.97 54.64 1iqh s GLU 21 Cb 0.00 -2.94 -0.04 0.00 0.26 0.00 0.00 34.13 31.41 1iqh s GLU 21 CO 0.00 0.50 2.00 0.00 -0.54 0.00 0.00 175.26 177.22 1iqh s LYS 23 N 5.83 3.81 -0.40 0.00 -0.14 -1.26 -4.87 119.74 122.72 1iqh s LYS 23 Ca 0.90 0.48 -0.22 0.00 -1.36 0.00 0.00 55.97 55.77 1iqh s LYS 23 Cb -0.29 -2.42 -0.11 0.00 -1.68 0.00 0.00 37.83 33.33 1iqh s LYS 23 CO 0.35 0.02 1.34 -3.47 -0.76 0.00 0.00 175.35 172.82 1iqh n ASP 24 N -1.08 0.31 0.00 2.83 2.03 -1.26 0.12 116.55 119.50 1iqh n ASP 24 Ca 0.02 0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.59 1iqh n ASP 24 Cb 0.54 -0.51 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 1iqh n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1iqh n GLY 25 N 3.98 0.86 0.12 0.27 0.00 -1.26 -4.97 105.19 104.19 1iqh n GLY 25 Ca 0.34 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.18 1iqh n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1iqh h GLU 26 N 3.88 0.29 -2.29 1.61 5.08 0.56 -3.38 114.58 120.33 1iqh h GLU 26 Ca 0.00 -0.37 -0.63 0.00 -1.00 0.00 0.00 59.36 57.36 1iqh h GLU 26 Cb 0.00 0.12 -0.40 0.00 0.50 0.00 0.00 28.75 28.97 1iqh h GLU 26 CO 0.00 1.10 -0.40 0.00 -1.00 0.00 0.00 179.01 178.71 1iqh n PRO 28 N 0.72 0.23 0.00 0.00 -0.04 -1.26 -3.30 135.00 131.36 1iqh n PRO 28 Ca 0.30 0.02 0.11 0.00 -0.04 0.00 0.00 63.50 63.90 1iqh n PRO 28 Cb 0.39 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.42 1iqh n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1iqh n TRP 29 N -1.38 0.00 -1.72 0.54 2.14 -1.20 -1.07 117.44 114.75 1iqh n TRP 29 Ca 0.11 0.00 -0.35 0.00 2.07 0.00 0.00 57.50 59.32 1iqh n TRP 29 Cb 0.27 -0.01 0.06 0.00 -0.81 0.00 0.00 31.31 30.82 1iqh n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1iqh s GLN 30 N -2.38 2.56 -0.01 -2.67 2.00 -1.21 -1.51 119.66 116.45 1iqh s GLN 30 Ca 0.21 1.79 -0.10 0.00 -2.00 0.00 0.00 55.36 55.26 1iqh s GLN 30 Cb 0.19 -1.88 0.01 0.00 0.80 0.00 0.00 33.01 32.12 1iqh s GLN 30 CO 0.51 -1.51 0.20 0.00 -0.50 0.00 0.00 175.29 173.99 1iqh s ALA 31 N -1.80 -0.50 -0.06 1.58 0.00 -0.93 -4.46 121.76 115.60 1iqh s ALA 31 Ca 0.76 0.05 0.02 0.00 0.00 0.00 0.00 51.96 52.79 1iqh s ALA 31 Cb -0.30 0.09 0.02 0.00 0.00 0.00 0.00 23.12 22.93 1iqh s ALA 31 CO 0.40 -0.23 -0.09 -1.17 0.00 0.00 0.00 175.76 174.67 1iqh s LEU 32 N -1.33 1.49 -0.31 0.00 2.96 0.47 -0.50 118.68 121.47 1iqh s LEU 32 Ca -0.14 -0.23 -0.18 0.00 -0.22 0.00 0.00 54.13 53.36 1iqh s LEU 32 Cb -0.07 -0.67 -0.01 0.00 0.50 0.00 0.00 46.19 45.94 1iqh s LEU 32 CO 0.03 -0.01 0.52 -0.76 -1.32 0.00 0.00 176.35 174.81 1iqh s LEU 33 N 0.81 4.20 0.07 -0.68 1.43 -0.38 0.15 118.68 124.29 1iqh s LEU 33 Ca -0.12 0.23 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 1iqh s LEU 33 Cb -0.15 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.40 1iqh s LEU 33 CO 0.02 -0.40 0.03 0.27 0.23 0.00 0.00 176.35 176.50 1iqh s ILE 34 N 2.38 4.27 0.65 -0.59 -4.36 0.87 -1.78 121.20 122.64 1iqh s ILE 34 Ca 0.20 -0.84 0.02 0.00 -0.26 0.00 0.00 60.65 59.77 1iqh s ILE 34 Cb -0.15 -3.03 0.13 0.00 1.25 0.00 0.00 42.46 40.65 1iqh s ILE 34 CO 0.12 0.15 0.90 -0.46 0.24 0.00 0.00 174.94 175.89 1iqh n ASN 35 N 0.62 1.44 -0.34 4.36 0.23 -0.42 -1.35 115.26 119.80 1iqh n ASN 35 Ca -0.10 -2.16 -0.04 0.00 -0.53 0.00 0.00 54.58 51.74 1iqh n ASN 35 Cb 0.52 -0.56 0.00 0.00 -2.08 0.00 0.00 39.78 37.66 1iqh n ASN 35 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1iqh h GLU 36 N 0.00 -0.05 0.00 -3.83 4.39 -1.91 1.55 114.58 114.73 1iqh h GLU 36 Ca -0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1iqh h GLU 36 Cb 1.16 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1iqh h GLU 36 CO 0.34 -0.04 0.00 0.39 -1.16 0.00 0.00 179.01 178.55 1iqh n GLU 37 N -5.42 0.12 -2.68 2.33 4.71 -1.26 -4.79 120.64 113.64 1iqh n GLU 37 Ca 0.07 0.09 -0.12 0.00 -0.01 0.00 0.00 57.16 57.18 1iqh n GLU 37 Cb 0.36 -1.50 0.02 0.00 -1.01 0.00 0.00 31.44 29.31 1iqh n GLU 37 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1iqh n ASN 38 N -1.11 -4.08 -4.67 1.62 2.85 0.53 -5.02 115.26 105.39 1iqh n ASN 38 Ca 0.03 -0.16 -0.35 0.00 -0.11 0.00 0.00 54.58 53.99 1iqh n ASN 38 Cb 0.02 -2.97 -0.10 0.00 1.24 0.00 0.00 39.78 37.98 1iqh n ASN 38 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1iqh s GLU 39 N -5.17 3.10 0.25 1.20 2.02 -1.25 -4.82 118.70 114.03 1iqh s GLU 39 Ca 0.17 -0.41 -0.30 0.00 0.02 0.00 0.00 54.97 54.45 1iqh s GLU 39 Cb -0.07 -2.83 -0.09 0.00 0.10 0.00 0.00 34.13 31.23 1iqh s GLU 39 CO 0.21 0.64 1.13 0.20 0.02 0.00 0.00 175.26 177.46 1iqh s GLY 40 N -0.70 2.95 0.00 -1.39 0.00 -1.26 -1.30 107.32 105.61 1iqh s GLY 40 Ca 0.11 0.92 0.00 0.00 0.00 0.00 0.00 44.72 45.76 1iqh s GLY 40 CO 0.02 1.63 0.20 1.97 0.00 0.00 0.00 173.10 176.92 1iqh n PHE 41 N 1.60 0.00 -3.62 1.90 1.16 -0.73 -4.95 117.46 112.82 1iqh n PHE 41 Ca 0.01 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.55 1iqh n PHE 41 Cb 0.45 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.30 1iqh n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1iqh n GLY 43 N -0.01 1.53 3.78 0.00 0.00 0.54 -1.25 105.19 109.78 1iqh n GLY 43 Ca 0.02 -2.09 -0.02 0.00 0.00 0.00 0.00 46.02 43.93 1iqh n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iqh s GLY 44 N -2.61 -0.15 -0.13 -0.02 0.00 0.34 -4.10 107.32 100.65 1iqh s GLY 44 Ca 0.11 0.07 -0.04 0.00 0.00 0.00 0.00 44.72 44.86 1iqh s GLY 44 CO 0.07 0.99 0.11 -1.59 0.00 0.00 0.00 173.10 172.68 1iqh s THR 45 N -2.73 -0.14 0.11 0.90 2.01 0.11 -2.18 115.64 113.71 1iqh s THR 45 Ca 0.16 0.04 -0.31 0.00 0.31 0.00 0.00 61.69 61.90 1iqh s THR 45 Cb -0.01 -0.45 -0.10 0.00 0.01 0.00 0.00 72.50 71.96 1iqh s THR 45 CO 0.02 -0.11 1.74 -0.63 -0.69 0.00 0.00 174.62 174.95 1iqh s ILE 46 N 2.19 2.73 -0.22 1.82 1.01 -0.57 -0.06 121.20 128.10 1iqh s ILE 46 Ca 0.03 0.25 -0.05 0.00 0.00 0.00 0.00 60.65 60.89 1iqh s ILE 46 Cb -0.15 -3.16 -0.12 0.00 0.01 0.00 0.00 42.46 39.04 1iqh s ILE 46 CO -0.08 0.00 -0.24 0.18 0.00 0.00 0.00 174.94 174.81 1iqh n LEU 47 N 5.50 2.32 0.00 2.97 4.77 -0.05 -1.88 117.00 130.64 1iqh n LEU 47 Ca 0.17 0.07 -0.03 0.00 -0.03 0.00 0.00 56.01 56.19 1iqh n LEU 47 Cb 0.39 -0.71 -0.01 0.00 -2.33 0.00 0.00 43.42 40.76 1iqh n LEU 47 CO 0.64 0.68 -0.01 -1.54 -1.33 0.00 0.00 177.39 175.83 1iqh n SER 48 N -3.56 -0.15 0.22 -1.43 3.41 -1.12 -4.45 113.62 106.53 1iqh n SER 48 Ca -0.41 -1.38 0.07 0.00 -0.26 0.00 0.00 58.87 56.89 1iqh n SER 48 Cb 0.86 0.33 0.48 0.00 -0.26 0.00 0.00 64.21 65.63 1iqh n SER 48 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1iqh h GLU 49 N 0.00 0.00 0.00 4.33 4.11 -1.98 -3.28 114.58 117.77 1iqh h GLU 49 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1iqh h GLU 49 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1iqh h GLU 49 CO 0.06 0.28 -1.44 1.19 0.07 0.00 0.00 179.01 179.16 1iqh n PHE 50 N -3.73 0.00 -5.13 2.06 3.72 -1.26 0.03 117.46 113.16 1iqh n PHE 50 Ca -0.01 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.09 1iqh n PHE 50 Cb 0.38 -0.26 -0.16 0.00 -0.94 0.00 0.00 39.48 38.50 1iqh n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1iqh s TYR 51 N -2.93 2.25 -0.08 1.38 2.02 -1.24 -0.83 117.35 117.91 1iqh s TYR 51 Ca -0.02 -0.72 0.01 0.00 -0.37 0.00 0.00 57.07 55.97 1iqh s TYR 51 Cb 0.11 -1.49 -0.03 0.00 -0.40 0.00 0.00 41.96 40.15 1iqh s TYR 51 CO 0.66 -0.24 -0.09 0.42 -1.57 0.00 0.00 175.55 174.73 1iqh s ILE 52 N 0.00 3.46 -0.23 2.71 -1.09 -0.90 -0.87 121.20 124.29 1iqh s ILE 52 Ca -0.07 -0.56 -0.08 0.00 -2.23 0.00 0.00 60.65 57.71 1iqh s ILE 52 Cb -0.14 -2.42 -0.04 0.00 -1.58 0.00 0.00 42.46 38.29 1iqh s ILE 52 CO 0.04 0.58 0.09 -0.22 -1.23 0.00 0.00 174.94 174.20 1iqh s LEU 53 N -0.51 3.71 0.18 2.97 2.96 0.92 -1.25 118.68 127.65 1iqh s LEU 53 Ca 0.07 -0.05 -0.08 0.00 -0.22 0.00 0.00 54.13 53.85 1iqh s LEU 53 Cb -0.12 -1.98 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 1iqh s LEU 53 CO 0.02 0.05 0.28 0.28 -1.32 0.00 0.00 176.35 175.66 1iqh s THR 54 N 1.13 0.05 0.24 3.68 -1.32 -0.67 0.04 115.64 118.80 1iqh s THR 54 Ca 0.05 -1.49 -0.30 0.00 -1.21 0.00 0.00 61.69 58.75 1iqh s THR 54 Cb -0.14 -1.98 -0.09 0.00 -1.51 0.00 0.00 72.50 68.78 1iqh s THR 54 CO 0.04 -0.23 1.23 0.00 -2.21 0.00 0.00 174.62 173.45 1iqh s ALA 55 N -4.00 3.47 0.04 11.08 0.00 -1.26 0.70 121.76 131.79 1iqh s ALA 55 Ca 0.21 1.06 0.33 0.00 0.00 0.00 0.00 51.96 53.55 1iqh s ALA 55 Cb 0.03 -3.43 1.33 0.00 0.00 0.00 0.00 23.12 21.06 1iqh s ALA 55 CO 0.03 -0.43 1.96 0.00 0.00 0.00 0.00 175.76 177.31 1iqh h ALA 56 N 4.52 1.00 0.02 0.00 0.00 -1.73 -3.05 119.26 120.01 1iqh h ALA 56 Ca -0.46 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.24 1iqh h ALA 56 Cb 1.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1iqh h ALA 56 CO 0.71 0.00 -0.94 1.12 0.00 0.00 0.00 179.25 180.15 1iqh h HIS 57 N 0.00 0.36 -0.16 0.00 2.07 -1.92 -3.08 115.15 112.42 1iqh h HIS 57 Ca 0.00 -0.21 0.04 0.00 -2.85 0.00 0.00 60.37 57.36 1iqh h HIS 57 Cb 0.49 -0.04 -0.01 0.00 2.57 0.00 0.00 27.41 30.43 1iqh h HIS 57 CO 0.00 1.04 0.47 0.00 -3.07 0.00 0.00 177.93 176.37 1iqh n LEU 59 N -3.09 4.91 0.00 0.00 4.77 -1.16 -2.95 117.00 119.47 1iqh n LEU 59 Ca 0.02 -2.58 0.00 0.00 -0.03 0.00 0.00 56.01 53.41 1iqh n LEU 59 Cb 0.56 -1.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 1iqh n LEU 59 CO 0.16 1.22 0.00 -1.22 -1.33 0.00 0.00 177.39 176.22 1iqh n TYR 60 N 2.01 0.00 0.02 -1.77 4.01 -1.03 -4.91 117.16 115.48 1iqh n TYR 60 Ca 0.19 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.84 1iqh n TYR 60 Cb 0.65 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.77 1iqh n TYR 60 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1iqh n GLN 61 N 0.00 1.71 -3.61 -0.72 6.02 -1.15 -4.81 117.38 114.81 1iqh n GLN 61 Ca 0.00 -1.36 0.00 0.00 -0.01 0.00 0.00 57.00 55.63 1iqh n GLN 61 Cb 0.00 -1.57 -0.06 0.00 1.02 0.00 0.00 30.24 29.63 1iqh n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1iqh s ALA 61 N -1.52 -2.52 0.33 -1.58 0.00 -1.26 -4.99 121.76 110.22 1iqh s ALA 61 Ca 0.25 2.08 0.09 0.00 0.00 0.00 0.00 51.96 54.39 1iqh s ALA 61 Cb 0.21 -1.88 0.56 0.00 0.00 0.00 0.00 23.12 22.02 1iqh s ALA 61 CO 0.05 -0.40 1.75 -0.22 0.00 0.00 0.00 175.76 176.95 1iqh h LYS 62 N 5.79 0.14 -2.16 0.00 3.64 -2.00 -3.43 116.57 118.55 1iqh h LYS 62 Ca -0.26 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.02 1iqh h LYS 62 Cb 1.17 -0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 32.77 1iqh h LYS 62 CO 0.20 0.52 -0.00 0.50 -2.27 0.00 0.00 179.45 178.39 1iqh s ARG 63 N -4.16 0.70 0.25 1.90 3.52 -1.26 -5.15 118.95 114.75 1iqh s ARG 63 Ca -0.04 1.01 0.01 0.00 -0.13 0.00 0.00 55.73 56.59 1iqh s ARG 63 Cb 0.14 0.24 -0.03 0.00 -1.56 0.00 0.00 34.95 33.73 1iqh s ARG 63 CO 0.75 -0.12 0.20 -0.59 -0.81 0.00 0.00 175.30 174.73 1iqh s PHE 64 N 0.96 1.32 0.03 5.12 -0.71 -1.26 -3.46 117.98 119.99 1iqh s PHE 64 Ca -0.05 -1.44 -0.01 0.00 -1.04 0.00 0.00 56.93 54.39 1iqh s PHE 64 Cb -0.05 -0.57 -0.03 0.00 -1.21 0.00 0.00 43.02 41.17 1iqh s PHE 64 CO -0.09 -0.74 -0.01 0.15 -1.34 0.00 0.00 175.22 173.19 1iqh s LYS 65 N -3.89 0.44 -0.29 1.99 1.02 -0.46 -4.48 119.74 114.07 1iqh s LYS 65 Ca 0.39 -0.82 -0.09 0.00 0.02 0.00 0.00 55.97 55.47 1iqh s LYS 65 Cb 0.05 0.16 -0.02 0.00 -0.52 0.00 0.00 37.83 37.50 1iqh s LYS 65 CO 0.17 -0.08 0.13 0.54 -0.92 0.00 0.00 175.35 175.20 1iqh s VAL 66 N -2.37 4.59 -0.21 3.17 0.11 -0.55 -0.09 120.40 125.06 1iqh s VAL 66 Ca -0.07 -0.30 -0.10 0.00 -2.93 0.00 0.00 61.98 58.57 1iqh s VAL 66 Cb -0.03 -3.28 -0.05 0.00 -1.53 0.00 0.00 36.38 31.49 1iqh s VAL 66 CO -0.04 0.15 0.14 -0.60 -3.33 0.00 0.00 175.10 171.42 1iqh s ARG 67 N 1.63 4.16 0.35 1.54 3.52 0.41 -1.68 118.95 128.87 1iqh s ARG 67 Ca 0.05 -0.23 0.07 0.00 -0.13 0.00 0.00 55.73 55.50 1iqh s ARG 67 Cb -0.16 -3.45 -0.07 0.00 -1.56 0.00 0.00 34.95 29.70 1iqh s ARG 67 CO 0.06 0.23 -0.03 0.14 -0.81 0.00 0.00 175.30 174.88 1iqh s VAL 68 N 0.56 1.92 -1.40 7.11 -7.23 -0.31 -0.39 120.40 120.67 1iqh s VAL 68 Ca 0.08 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 1iqh s VAL 68 Cb -0.12 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 34.08 1iqh s VAL 68 CO -0.00 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.27 1iqh n GLY 69 N -0.80 -0.05 3.15 2.32 0.00 -1.24 -2.43 105.19 106.14 1iqh n GLY 69 Ca -0.05 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 1iqh n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iqh s ASP 70 N -2.35 3.11 -0.05 1.61 2.15 -1.26 -2.61 116.67 117.26 1iqh s ASP 70 Ca 0.00 -0.62 0.12 0.00 0.43 0.00 0.00 52.55 52.48 1iqh s ASP 70 Cb 0.00 -1.45 -0.17 0.00 -0.30 0.00 0.00 42.92 41.00 1iqh s ASP 70 CO 0.00 0.05 0.20 0.54 -0.17 0.00 0.00 175.17 175.79 1iqh n ARG 71 N 4.25 0.91 -3.56 4.34 1.74 -1.26 -4.85 116.66 118.24 1iqh n ARG 71 Ca -0.20 -0.08 -0.26 0.00 -0.77 0.00 0.00 57.85 56.54 1iqh n ARG 71 Cb 0.51 -1.29 -0.15 0.00 -1.02 0.00 0.00 32.46 30.51 1iqh n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1iqh s ASN 72 N -3.70 2.77 -0.81 0.55 2.47 -1.26 -0.06 114.94 114.90 1iqh s ASN 72 Ca -0.05 -0.90 -0.25 0.00 0.42 0.00 0.00 52.86 52.08 1iqh s ASN 72 Cb 0.06 -0.20 -0.03 0.00 -1.45 0.00 0.00 41.25 39.63 1iqh s ASN 72 CO 0.49 -0.39 1.89 0.42 -3.72 0.00 0.00 177.10 175.79 1iqh s THR 73 N 2.15 3.44 0.00 -5.21 -4.23 0.51 -3.30 115.64 109.00 1iqh s THR 73 Ca 0.06 -0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.38 1iqh s THR 73 Cb -0.16 -4.04 0.00 0.00 1.34 0.00 0.00 72.50 69.64 1iqh s THR 73 CO -0.23 -0.99 0.00 -1.84 -0.54 0.00 0.00 174.62 171.02 1iqh n GLU 74 N 8.97 0.00 -2.07 3.99 0.28 -1.26 -4.86 120.64 125.69 1iqh n GLU 74 Ca 0.33 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 57.01 1iqh n GLU 74 Cb 0.49 0.00 0.03 0.00 1.43 0.00 0.00 31.44 33.38 1iqh n GLU 74 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1iqh n GLN 75 N 0.00 3.12 -0.20 3.44 6.02 -1.21 -5.03 117.38 123.52 1iqh n GLN 75 Ca 0.00 -3.95 0.00 0.00 -0.01 0.00 0.00 57.00 53.04 1iqh n GLN 75 Cb 0.00 -2.27 0.00 0.00 1.02 0.00 0.00 30.24 28.99 1iqh n GLN 75 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1iqh n GLU 76 N -0.59 0.00 0.09 -1.09 4.07 -1.26 -4.79 120.64 117.07 1iqh n GLU 76 Ca 0.48 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.68 1iqh n GLU 76 Cb 0.56 0.00 0.41 0.00 -0.06 0.00 0.00 31.44 32.35 1iqh n GLU 76 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1iqh n GLU 77 N 0.17 0.12 0.00 5.31 4.71 -1.26 -4.88 120.64 124.81 1iqh n GLU 77 Ca 0.00 0.41 0.00 0.00 -0.01 0.00 0.00 57.16 57.56 1iqh n GLU 77 Cb 0.00 -1.75 0.00 0.00 -1.01 0.00 0.00 31.44 28.68 1iqh n GLU 77 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1iqh n GLY 78 N -0.28 2.03 0.00 0.62 0.00 -1.26 -4.79 105.19 101.51 1iqh n GLY 78 Ca 0.02 -0.42 0.04 0.00 0.00 0.00 0.00 46.02 45.66 1iqh n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqh n GLY 79 N 0.00 -0.81 0.00 -0.02 0.00 -1.26 -4.83 105.19 98.26 1iqh n GLY 79 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1iqh n GLY 79 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1iqh n GLU 80 N -0.66 -0.56 0.00 1.61 4.71 -1.07 -4.49 120.64 120.18 1iqh n GLU 80 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.21 1iqh n GLU 80 Cb 0.03 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.46 1iqh n GLU 80 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1iqh n ALA 81 N -3.00 0.00 -2.89 0.62 0.00 -1.02 -4.83 120.51 109.39 1iqh n ALA 81 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1iqh n ALA 81 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1iqh n ALA 81 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1iqh s VAL 82 N 0.00 2.94 -0.01 0.00 1.01 -1.26 -1.16 120.40 121.93 1iqh s VAL 82 Ca 0.00 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.32 1iqh s VAL 82 Cb 0.00 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 1iqh s VAL 82 CO 0.00 0.55 -0.20 -1.00 0.00 0.00 0.00 175.10 174.44 1iqh s HIS 83 N 0.01 1.83 -0.07 5.22 3.76 -0.68 -5.00 115.29 120.35 1iqh s HIS 83 Ca -0.05 -0.35 -0.18 0.00 -0.15 0.00 0.00 55.06 54.34 1iqh s HIS 83 Cb -0.14 -1.17 -0.05 0.00 1.11 0.00 0.00 32.58 32.33 1iqh s HIS 83 CO 0.04 -0.02 0.48 -1.21 -0.85 0.00 0.00 174.74 173.19 1iqh s GLU 84 N -0.57 4.26 0.31 1.40 2.02 -1.26 -1.48 118.70 123.38 1iqh s GLU 84 Ca 0.08 0.49 -0.29 0.00 0.02 0.00 0.00 54.97 55.27 1iqh s GLU 84 Cb -0.08 -3.38 -0.11 0.00 0.10 0.00 0.00 34.13 30.66 1iqh s GLU 84 CO -0.00 0.30 1.51 0.08 0.02 0.00 0.00 175.26 177.17 1iqh s VAL 85 N 0.14 2.24 -0.14 2.63 1.01 -1.26 -2.25 120.40 122.77 1iqh s VAL 85 Ca 0.26 0.22 -0.11 0.00 0.00 0.00 0.00 61.98 62.35 1iqh s VAL 85 Cb -0.16 -3.14 -0.09 0.00 0.00 0.00 0.00 36.38 33.00 1iqh s VAL 85 CO 0.12 0.04 0.12 -0.08 0.00 0.00 0.00 175.10 175.31 1iqh h GLU 86 N 4.31 0.00 -3.54 2.72 4.81 0.34 -3.44 114.58 119.78 1iqh h GLU 86 Ca -0.48 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.59 1iqh h GLU 86 Cb 1.22 0.00 -0.22 0.00 0.63 0.00 0.00 28.75 30.39 1iqh h GLU 86 CO 0.74 0.34 -0.53 0.14 -0.73 0.00 0.00 179.01 178.97 1iqh s VAL 87 N -1.99 0.07 -0.12 0.32 -7.23 -1.16 -5.00 120.40 105.29 1iqh s VAL 87 Ca -0.12 -0.58 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 1iqh s VAL 87 Cb 0.01 -0.37 -0.02 0.00 0.56 0.00 0.00 36.38 36.56 1iqh s VAL 87 CO 0.28 -0.32 -0.12 0.68 -0.31 0.00 0.00 175.10 175.31 1iqh s VAL 88 N -1.11 3.15 -0.39 1.32 -7.23 -1.26 -1.45 120.40 113.44 1iqh s VAL 88 Ca -0.12 -0.64 -0.05 0.00 -1.81 0.00 0.00 61.98 59.36 1iqh s VAL 88 Cb -0.07 -2.32 0.08 0.00 0.56 0.00 0.00 36.38 34.64 1iqh s VAL 88 CO 0.01 0.53 0.18 -0.63 -0.31 0.00 0.00 175.10 174.88 1iqh s ILE 89 N 0.16 3.59 0.14 -0.62 1.01 -0.85 -5.03 121.20 119.61 1iqh s ILE 89 Ca -0.07 -1.64 -0.06 0.00 0.00 0.00 0.00 60.65 58.88 1iqh s ILE 89 Cb -0.15 -3.26 -0.06 0.00 0.01 0.00 0.00 42.46 39.00 1iqh s ILE 89 CO 0.05 -0.49 0.40 -0.75 0.00 0.00 0.00 174.94 174.15 1iqh s LYS 90 N 1.28 3.66 -0.08 2.79 2.20 -1.26 -1.16 119.74 127.17 1iqh s LYS 90 Ca 0.03 0.00 -0.30 0.00 -0.36 0.00 0.00 55.97 55.34 1iqh s LYS 90 Cb -0.22 -2.85 -0.03 0.00 -1.51 0.00 0.00 37.83 33.22 1iqh s LYS 90 CO -0.01 0.47 1.26 -1.58 -0.36 0.00 0.00 175.35 175.13 1iqh s HIS 91 N -1.63 3.00 0.26 4.03 5.65 -1.12 -4.93 115.29 120.55 1iqh s HIS 91 Ca 0.40 1.07 -0.05 0.00 0.25 0.00 0.00 55.06 56.73 1iqh s HIS 91 Cb -0.12 -3.49 0.51 0.00 -1.18 0.00 0.00 32.58 28.29 1iqh s HIS 91 CO 0.23 -1.66 1.63 -0.91 -0.65 0.00 0.00 174.74 173.38 1iqh h ASN 92 N 7.81 -0.31 -0.32 9.88 4.21 -1.92 -1.76 115.58 133.17 1iqh h ASN 92 Ca -0.32 0.20 -0.20 0.00 1.21 0.00 0.00 56.30 57.19 1iqh h ASN 92 Cb 1.14 0.35 -0.09 0.00 -1.12 0.00 0.00 38.32 38.60 1iqh h ASN 92 CO 0.91 -0.19 0.26 0.54 -1.29 0.00 0.00 177.43 177.66 1iqh n ARG 93 N -5.34 1.50 -2.10 0.81 1.74 -1.26 -4.91 116.66 107.10 1iqh n ARG 93 Ca 0.16 -1.01 -0.32 0.00 -0.77 0.00 0.00 57.85 55.91 1iqh n ARG 93 Cb 0.53 -1.40 -0.01 0.00 -1.02 0.00 0.00 32.46 30.57 1iqh n ARG 93 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1iqh s PHE 94 N -1.16 3.40 -0.27 -1.55 5.36 -0.67 -4.43 117.98 118.66 1iqh s PHE 94 Ca 0.20 1.42 -0.01 0.00 -0.96 0.00 0.00 56.93 57.58 1iqh s PHE 94 Cb 0.16 -2.81 0.14 0.00 -0.34 0.00 0.00 43.02 40.16 1iqh s PHE 94 CO 0.01 -0.67 0.33 0.95 -1.46 0.00 0.00 175.22 174.38 1iqh s THR 95 N -2.81 -0.48 0.56 0.12 -4.23 -1.21 -4.98 115.64 102.61 1iqh s THR 95 Ca 0.58 -0.33 0.29 0.00 -1.18 0.00 0.00 61.69 61.06 1iqh s THR 95 Cb -0.12 -0.92 0.43 0.00 1.34 0.00 0.00 72.50 73.23 1iqh s THR 95 CO 0.41 -0.33 1.90 0.07 -0.54 0.00 0.00 174.62 176.13 1iqh h LYS 96 N 8.23 0.00 0.00 3.99 -0.00 -1.96 0.39 116.57 127.22 1iqh h LYS 96 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.51 1iqh h LYS 96 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.34 1iqh h LYS 96 CO 0.30 0.00 0.00 -0.85 -0.00 0.00 0.00 179.45 178.90 1iqh n GLU 97 N -4.02 0.19 0.00 0.07 0.00 -1.26 -4.09 120.64 111.53 1iqh n GLU 97 Ca 0.13 0.38 0.00 0.00 0.00 0.00 0.00 57.16 57.67 1iqh n GLU 97 Cb 0.79 -1.84 0.00 0.00 0.00 0.00 0.00 31.44 30.39 1iqh n GLU 97 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1iqh n THR 98 N -2.18 0.00 -2.73 3.84 -2.24 0.32 -5.02 114.28 106.26 1iqh n THR 98 Ca 0.03 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.64 1iqh n THR 98 Cb 0.25 0.70 -0.00 0.00 -2.10 0.00 0.00 70.33 69.18 1iqh n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1iqh n TYR 99 N 0.00 -1.54 -3.38 4.78 0.53 0.11 -4.94 117.16 112.72 1iqh n TYR 99 Ca 0.00 0.17 -0.38 0.00 -1.02 0.00 0.00 57.90 56.68 1iqh n TYR 99 Cb 0.37 -3.08 -0.06 0.00 -1.03 0.00 0.00 39.34 35.54 1iqh n TYR 99 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 1iqh s ASP 100 N -2.28 6.66 -0.27 7.72 2.15 -1.26 -3.65 116.67 125.74 1iqh s ASP 100 Ca 0.13 0.78 -0.00 0.00 0.43 0.00 0.00 52.55 53.89 1iqh s ASP 100 Cb -0.07 -2.26 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 1iqh s ASP 100 CO 0.16 0.07 0.03 0.49 -0.17 0.00 0.00 175.17 175.76 1iqh n PHE 101 N 3.38 -0.21 -2.12 -5.34 3.01 -1.26 -3.29 117.46 111.62 1iqh n PHE 101 Ca -0.09 0.03 -0.35 0.00 1.01 0.00 0.00 57.45 58.05 1iqh n PHE 101 Cb 0.52 -1.50 -0.04 0.00 -0.01 0.00 0.00 39.48 38.44 1iqh n PHE 101 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1iqh n ASP 102 N 1.26 3.63 -3.63 4.37 2.03 -1.24 -4.46 116.55 118.50 1iqh n ASP 102 Ca -0.03 -2.77 -0.13 0.00 0.52 0.00 0.00 54.79 52.38 1iqh n ASP 102 Cb 0.53 -1.68 -0.07 0.00 -0.72 0.00 0.00 41.12 39.17 1iqh n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1iqh s ILE 103 N 8.10 0.00 0.19 5.18 2.07 -1.26 -3.87 121.20 131.60 1iqh s ILE 103 Ca 0.62 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.78 1iqh s ILE 103 Cb 0.03 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.60 1iqh s ILE 103 CO 0.11 0.00 0.30 0.00 -1.91 0.00 0.00 174.94 173.44 1iqh s ALA 104 N 0.52 0.15 -0.05 1.50 0.00 0.22 -2.79 121.76 121.30 1iqh s ALA 104 Ca -0.01 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 50.90 1iqh s ALA 104 Cb -0.05 0.99 0.03 0.00 0.00 0.00 0.00 23.12 24.09 1iqh s ALA 104 CO -0.01 -0.68 0.06 0.08 0.00 0.00 0.00 175.76 175.20 1iqh s VAL 105 N -4.01 -0.07 0.22 0.00 1.01 -0.31 -1.67 120.40 115.58 1iqh s VAL 105 Ca 0.22 0.37 -0.16 0.00 0.00 0.00 0.00 61.98 62.41 1iqh s VAL 105 Cb 0.03 -0.21 -0.08 0.00 0.00 0.00 0.00 36.38 36.12 1iqh s VAL 105 CO 0.04 0.16 0.66 -0.76 0.00 0.00 0.00 175.10 175.20 1iqh s LEU 106 N 2.15 4.26 -0.19 3.92 1.43 -0.38 -2.00 118.68 127.88 1iqh s LEU 106 Ca 0.05 1.24 -0.01 0.00 -1.03 0.00 0.00 54.13 54.38 1iqh s LEU 106 Cb -0.12 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1iqh s LEU 106 CO -0.04 -0.01 -0.13 -0.60 0.23 0.00 0.00 176.35 175.81 1iqh s ARG 107 N -2.27 3.19 0.40 1.70 6.06 -0.53 -2.11 118.95 125.40 1iqh s ARG 107 Ca 0.44 -0.73 -0.20 0.00 -2.50 0.00 0.00 55.73 52.74 1iqh s ARG 107 Cb -0.14 -2.75 -0.10 0.00 0.06 0.00 0.00 34.95 32.01 1iqh s ARG 107 CO 0.20 -0.15 0.89 -0.51 -2.50 0.00 0.00 175.30 173.23 1iqh s LEU 108 N 1.24 3.98 0.13 -0.88 1.43 -0.01 0.26 118.68 124.84 1iqh s LEU 108 Ca 0.03 1.59 0.04 0.00 -1.03 0.00 0.00 54.13 54.76 1iqh s LEU 108 Cb -0.14 -4.40 -0.15 0.00 0.03 0.00 0.00 46.19 41.53 1iqh s LEU 108 CO -0.06 -0.31 1.29 0.50 0.23 0.00 0.00 176.35 178.00 1iqh h LYS 109 N 2.04 0.10 -5.36 1.70 3.64 -1.73 -3.41 116.57 113.54 1iqh h LYS 109 Ca -0.49 -0.14 -0.54 0.00 -1.27 0.00 0.00 60.65 58.21 1iqh h LYS 109 Cb 1.18 0.05 -0.31 0.00 -0.41 0.00 0.00 32.23 32.74 1iqh h LYS 109 CO 0.62 1.01 -0.83 0.95 -2.27 0.00 0.00 179.45 178.93 1iqh s THR 110 N -2.85 1.35 0.43 1.00 -4.23 -1.26 -5.04 115.64 105.04 1iqh s THR 110 Ca -0.01 -0.69 -0.23 0.00 -1.18 0.00 0.00 61.69 59.58 1iqh s THR 110 Cb 0.10 -1.15 -0.11 0.00 1.34 0.00 0.00 72.50 72.67 1iqh s THR 110 CO 0.83 0.39 0.77 -2.65 -0.54 0.00 0.00 174.62 173.42 1iqh n PRO 111 N 2.99 0.90 -3.04 3.99 -0.02 -1.26 -4.92 135.00 133.64 1iqh n PRO 111 Ca -0.17 0.33 -0.40 0.00 -2.02 0.00 0.00 63.50 61.24 1iqh n PRO 111 Cb 0.53 -1.77 -0.05 0.00 -0.02 0.00 0.00 33.50 32.19 1iqh n PRO 111 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1iqh s ILE 112 N -1.39 4.93 -0.36 4.25 1.01 0.10 -5.01 121.20 124.73 1iqh s ILE 112 Ca 0.64 1.49 -0.17 0.00 0.00 0.00 0.00 60.65 62.62 1iqh s ILE 112 Cb -0.57 -4.05 -0.00 0.00 0.01 0.00 0.00 42.46 37.84 1iqh s ILE 112 CO 0.57 0.31 0.42 -0.89 0.00 0.00 0.00 174.94 175.35 1iqh s THR 113 N 0.39 5.10 0.09 2.92 2.01 -1.26 -4.74 115.64 120.15 1iqh s THR 113 Ca 0.37 0.07 -0.31 0.00 0.31 0.00 0.00 61.69 62.13 1iqh s THR 113 Cb -0.19 -3.91 -0.07 0.00 0.01 0.00 0.00 72.50 68.34 1iqh s THR 113 CO 0.20 -0.20 1.40 -0.36 -0.69 0.00 0.00 174.62 174.97 1iqh s PHE 114 N 2.16 3.12 0.12 4.92 0.08 -1.26 -4.96 117.98 122.16 1iqh s PHE 114 Ca 0.14 0.90 -0.03 0.00 0.12 0.00 0.00 56.93 58.05 1iqh s PHE 114 Cb -0.16 -3.69 0.01 0.00 -0.57 0.00 0.00 43.02 38.61 1iqh s PHE 114 CO 0.13 -2.46 0.22 2.89 -0.10 0.00 0.00 175.22 175.90 1iqh n ARG 115 N 4.34 0.32 -1.44 0.44 0.00 0.57 -5.00 116.66 115.88 1iqh n ARG 115 Ca 0.12 -0.74 -0.41 0.00 -0.00 0.00 0.00 57.85 56.82 1iqh n ARG 115 Cb 0.43 0.85 0.01 0.00 -0.00 0.00 0.00 32.46 33.75 1iqh n ARG 115 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 1iqh n MET 116 N -0.17 0.52 -3.37 2.89 0.00 -1.26 0.04 117.12 115.78 1iqh n MET 116 Ca -0.02 0.19 -0.22 0.00 -0.00 0.00 0.00 57.70 57.65 1iqh n MET 116 Cb 0.18 -1.49 -0.01 0.00 0.00 0.00 0.00 33.22 31.90 1iqh n MET 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1iqh n ASN 117 N 1.27 -3.11 -3.14 6.12 4.13 -1.26 -4.87 115.26 114.40 1iqh n ASN 117 Ca 0.11 -0.36 0.04 0.00 1.68 0.00 0.00 54.58 56.05 1iqh n ASN 117 Cb 0.41 -2.61 -0.00 0.00 -1.54 0.00 0.00 39.78 36.04 1iqh n ASN 117 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1iqh s VAL 118 N -2.84 -0.72 -0.02 2.41 1.01 0.11 -3.63 120.40 116.73 1iqh s VAL 118 Ca 0.39 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 1iqh s VAL 118 Cb -0.21 -0.67 0.07 0.00 0.00 0.00 0.00 36.38 35.57 1iqh s VAL 118 CO 0.48 0.00 0.68 0.00 0.00 0.00 0.00 175.10 176.26 1iqh s ALA 119 N 2.82 -1.75 0.21 5.51 0.00 -0.24 -0.32 121.76 127.99 1iqh s ALA 119 Ca 0.17 1.17 -0.22 0.00 0.00 0.00 0.00 51.96 53.08 1iqh s ALA 119 Cb -0.07 0.14 -0.08 0.00 0.00 0.00 0.00 23.12 23.11 1iqh s ALA 119 CO -0.24 -0.45 0.76 -1.25 0.00 0.00 0.00 175.76 174.59 1iqh s PRO 120 N -1.68 4.39 0.23 0.00 0.04 -1.26 -3.25 135.00 133.47 1iqh s PRO 120 Ca -0.08 1.01 -0.15 0.00 0.04 0.00 0.00 61.00 61.82 1iqh s PRO 120 Cb -0.00 -3.01 -0.08 0.00 0.04 0.00 0.00 34.50 31.45 1iqh s PRO 120 CO 0.05 0.45 0.64 0.00 0.04 0.00 0.00 177.00 178.18 1iqh s ALA 121 N -1.39 3.47 0.65 8.56 0.00 -0.78 -4.97 121.76 127.29 1iqh s ALA 121 Ca 0.41 -0.04 -0.14 0.00 0.00 0.00 0.00 51.96 52.19 1iqh s ALA 121 Cb -0.19 -2.64 -0.01 0.00 0.00 0.00 0.00 23.12 20.28 1iqh s ALA 121 CO 0.23 0.40 1.07 0.00 0.00 0.00 0.00 175.76 177.47 1iqh s LEU 123 N -4.93 3.02 0.00 0.00 1.02 -1.26 -0.20 118.68 116.32 1iqh s LEU 123 Ca 0.63 -0.26 -0.06 0.00 0.02 0.00 0.00 54.13 54.46 1iqh s LEU 123 Cb -0.17 -1.73 0.11 0.00 0.02 0.00 0.00 46.19 44.41 1iqh s LEU 123 CO 0.43 0.10 0.65 -0.81 0.02 0.00 0.00 176.35 176.75 1iqh n PRO 124 N 3.97 -0.34 -3.86 1.29 -0.04 -1.26 -4.99 135.00 129.77 1iqh n PRO 124 Ca -0.18 -1.26 -0.36 0.00 -0.04 0.00 0.00 63.50 61.66 1iqh n PRO 124 Cb 0.52 -0.60 -0.11 0.00 -0.04 0.00 0.00 33.50 33.27 1iqh n PRO 124 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1iqh s GLU 124 N -4.30 3.84 0.00 0.54 -6.30 -1.26 -4.99 118.70 106.23 1iqh s GLU 124 Ca 0.39 -0.40 0.00 0.00 -2.50 0.00 0.00 54.97 52.46 1iqh s GLU 124 Cb -0.01 -3.31 0.00 0.00 0.00 0.00 0.00 34.13 30.80 1iqh s GLU 124 CO 0.27 0.03 0.51 -2.13 0.02 0.00 0.00 175.26 173.96 1iqh n ARG 125 N 4.29 0.00 -0.10 4.30 0.00 -1.26 -0.00 116.66 123.89 1iqh n ARG 125 Ca -0.16 0.51 -0.05 0.00 -0.00 0.00 0.00 57.85 58.15 1iqh n ARG 125 Cb 0.52 -0.82 0.01 0.00 0.00 0.00 0.00 32.46 32.16 1iqh n ARG 125 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 1iqh h ASP 126 N 0.00 -0.41 -0.16 6.15 3.45 -1.96 -2.01 116.42 121.47 1iqh h ASP 126 Ca 0.00 0.12 0.03 0.00 0.43 0.00 0.00 57.03 57.61 1iqh h ASP 126 Cb 0.00 0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 39.00 1iqh h ASP 126 CO 0.00 -0.15 -0.01 -0.25 -1.57 0.00 0.00 179.24 177.26 1iqh h TRP 127 N -0.04 -0.03 -0.88 4.55 7.01 -1.74 -2.66 115.95 122.17 1iqh h TRP 127 Ca 0.18 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.20 1iqh h TRP 127 Cb 0.31 0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 27.36 1iqh h TRP 127 CO -0.35 -0.03 0.59 0.00 -2.79 0.00 0.00 178.44 175.85 1iqh h ALA 128 N 1.14 1.37 -0.03 2.65 0.00 -0.06 0.40 119.26 124.74 1iqh h ALA 128 Ca 0.08 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1iqh h ALA 128 Cb 0.10 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1iqh h ALA 128 CO -0.14 0.59 -0.60 0.93 0.00 0.00 0.00 179.25 180.03 1iqh h GLU 129 N 1.20 0.09 0.10 0.00 5.08 -1.24 0.29 114.58 120.10 1iqh h GLU 129 Ca 0.32 -0.06 -0.20 0.00 -1.00 0.00 0.00 59.36 58.42 1iqh h GLU 129 Cb -0.14 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.13 1iqh h GLU 129 CO -0.07 0.66 -0.97 1.03 -1.00 0.00 0.00 179.01 178.66 1iqh h SER 130 N 0.07 0.35 0.00 1.42 0.87 -1.13 -3.37 113.55 111.76 1iqh h SER 130 Ca -0.01 -0.89 -0.30 0.00 -1.23 0.00 0.00 61.79 59.36 1iqh h SER 130 Cb 1.07 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.86 1iqh h SER 130 CO 0.08 1.44 -2.13 0.41 -0.53 0.00 0.00 176.83 176.10 1iqh n THR 131 N -4.13 1.13 0.04 2.23 -1.04 0.10 -4.27 114.28 108.34 1iqh n THR 131 Ca -0.19 -0.63 -0.05 0.00 -2.04 0.00 0.00 64.05 61.14 1iqh n THR 131 Cb 0.80 -0.74 -0.10 0.00 -1.82 0.00 0.00 70.33 68.47 1iqh n THR 131 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1iqh h LEU 131 N 0.00 0.00 0.00 -4.42 4.07 -0.62 -3.35 115.31 110.98 1iqh h LEU 131 Ca -0.45 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.49 1iqh h LEU 131 Cb 1.93 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.66 1iqh h LEU 131 CO -0.00 0.86 -2.00 0.23 -1.08 0.00 0.00 178.44 176.45 1iqh n MET 131 N -3.15 0.65 -0.00 1.13 2.81 -0.05 -4.01 117.12 114.51 1iqh n MET 131 Ca -0.07 -0.18 0.15 0.00 -1.81 0.00 0.00 57.70 55.79 1iqh n MET 131 Cb 0.93 -1.51 0.84 0.00 -0.71 0.00 0.00 33.22 32.78 1iqh n MET 131 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1iqh n THR 132 N -2.28 0.00 -0.39 2.03 -2.24 -1.26 -4.82 114.28 105.32 1iqh n THR 132 Ca -0.06 -0.05 -0.29 0.00 -2.27 0.00 0.00 64.05 61.39 1iqh n THR 132 Cb 0.60 -0.30 0.26 0.00 -2.10 0.00 0.00 70.33 68.79 1iqh n THR 132 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1iqh n GLN 133 N -0.76 -3.43 0.00 -0.78 -0.06 -1.26 -4.96 117.38 106.14 1iqh n GLN 133 Ca 0.22 -1.00 -0.08 0.00 -2.00 0.00 0.00 57.00 54.14 1iqh n GLN 133 Cb 0.16 -1.95 -0.14 0.00 -4.06 0.00 0.00 30.24 24.25 1iqh n GLN 133 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 1iqh h LYS 134 N -3.05 0.01 -4.30 3.69 1.79 -1.92 -3.43 116.57 109.36 1iqh h LYS 134 Ca -0.50 -0.01 -0.31 0.00 -2.18 0.00 0.00 60.65 57.65 1iqh h LYS 134 Cb 1.29 0.01 -0.09 0.00 -1.58 0.00 0.00 32.23 31.85 1iqh h LYS 134 CO 0.35 0.64 -0.27 0.95 -1.08 0.00 0.00 179.45 180.04 1iqh s THR 135 N -2.63 0.00 0.07 -0.16 -4.23 -1.26 -2.43 115.64 105.00 1iqh s THR 135 Ca -0.04 -1.70 -0.15 0.00 -1.18 0.00 0.00 61.69 58.62 1iqh s THR 135 Cb 0.08 -2.59 0.03 0.00 1.34 0.00 0.00 72.50 71.36 1iqh s THR 135 CO 0.82 0.00 0.36 -0.83 -0.54 0.00 0.00 174.62 174.43 1iqh s GLY 136 N -3.25 -0.20 -0.05 3.99 0.00 0.33 -4.77 107.32 103.36 1iqh s GLY 136 Ca 0.33 0.04 -0.08 0.00 0.00 0.00 0.00 44.72 45.01 1iqh s GLY 136 CO 0.21 -0.20 0.22 -0.42 0.00 0.00 0.00 173.10 172.91 1iqh s ILE 137 N -3.01 5.37 -0.06 0.90 -1.09 0.55 -0.10 121.20 123.76 1iqh s ILE 137 Ca -0.02 0.26 -0.03 0.00 -2.23 0.00 0.00 60.65 58.63 1iqh s ILE 137 Cb 0.00 -3.51 0.03 0.00 -1.58 0.00 0.00 42.46 37.41 1iqh s ILE 137 CO -0.06 0.51 0.13 0.54 -1.23 0.00 0.00 174.94 174.83 1iqh s VAL 138 N -1.14 -0.04 0.18 2.92 0.11 -0.63 0.57 120.40 122.37 1iqh s VAL 138 Ca 0.21 0.14 -0.00 0.00 -2.93 0.00 0.00 61.98 59.40 1iqh s VAL 138 Cb -0.13 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.46 1iqh s VAL 138 CO 0.10 0.06 0.08 -0.94 -3.33 0.00 0.00 175.10 171.07 1iqh s SER 139 N 0.89 0.51 0.00 3.54 1.04 -1.20 0.37 113.70 118.86 1iqh s SER 139 Ca -0.07 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.06 1iqh s SER 139 Cb -0.09 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1iqh s SER 139 CO -0.04 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.04 1iqh n GLY 140 N -0.24 -1.56 0.53 7.32 0.00 0.03 -4.37 105.19 106.90 1iqh n GLY 140 Ca -0.02 -1.08 0.06 0.00 0.00 0.00 0.00 46.02 44.98 1iqh n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1iqh n PHE 141 N 3.13 0.45 -1.17 1.61 3.72 -1.26 -0.79 117.46 123.14 1iqh n PHE 141 Ca 0.00 -0.63 -0.29 0.00 -0.05 0.00 0.00 57.45 56.47 1iqh n PHE 141 Cb 0.00 -0.11 0.16 0.00 -0.94 0.00 0.00 39.48 38.59 1iqh n PHE 141 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1iqh s GLY 142 N -1.38 1.59 0.29 1.37 0.00 -1.26 -1.12 107.32 106.82 1iqh s GLY 142 Ca 0.24 -0.18 -0.27 0.00 0.00 0.00 0.00 44.72 44.51 1iqh s GLY 142 CO 0.10 0.36 0.73 0.54 0.00 0.00 0.00 173.10 174.83 1iqh n ARG 143 N -4.03 0.72 0.02 2.90 3.00 -0.88 -0.64 116.66 117.75 1iqh n ARG 143 Ca 0.06 0.25 0.12 0.00 -0.01 0.00 0.00 57.85 58.28 1iqh n ARG 143 Cb 0.56 -1.48 0.25 0.00 0.00 0.00 0.00 32.46 31.79 1iqh n ARG 143 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1iqh n THR 144 N -0.12 0.12 -3.90 0.55 -2.24 -1.19 0.53 114.28 108.02 1iqh n THR 144 Ca 0.13 -0.09 -0.11 0.00 -2.27 0.00 0.00 64.05 61.71 1iqh n THR 144 Cb 0.32 0.07 -0.11 0.00 -2.10 0.00 0.00 70.33 68.50 1iqh n THR 144 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1iqh s HIS 145 N -3.06 0.09 0.55 4.78 5.65 -1.26 -4.39 115.29 117.65 1iqh s HIS 145 Ca 0.10 -0.19 0.42 0.00 0.25 0.00 0.00 55.06 55.63 1iqh s HIS 145 Cb 0.16 -0.08 1.62 0.00 -1.18 0.00 0.00 32.58 33.10 1iqh s HIS 145 CO 0.70 -0.19 1.72 1.49 -0.65 0.00 0.00 174.74 177.80 1iqh h GLU 147 N 4.83 0.00 0.00 2.88 4.81 -1.89 -0.05 114.58 125.17 1iqh h GLU 147 Ca -0.30 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.88 1iqh h GLU 147 Cb 1.20 -0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.46 1iqh h GLU 147 CO 0.42 0.00 -0.61 1.63 -0.73 0.00 0.00 179.01 179.72 1iqh n LYS 148 N -4.09 0.98 -0.27 1.92 5.02 -1.26 -4.83 118.16 115.62 1iqh n LYS 148 Ca 0.33 -2.69 0.00 0.00 -2.02 0.00 0.00 58.31 53.93 1iqh n LYS 148 Cb 1.54 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 1iqh n LYS 148 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iqh n GLY 149 N -0.60 1.07 3.97 0.72 0.00 -0.03 -5.12 105.19 105.20 1iqh n GLY 149 Ca 0.14 -1.95 -0.26 0.00 0.00 0.00 0.00 46.02 43.95 1iqh n GLY 149 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1iqh s ARG 150 N 0.37 1.32 0.00 1.61 1.70 -1.26 -4.90 118.95 117.79 1iqh s ARG 150 Ca 0.00 -0.83 0.00 0.00 -0.47 0.00 0.00 55.73 54.43 1iqh s ARG 150 Cb 0.00 -2.15 0.00 0.00 -0.57 0.00 0.00 34.95 32.23 1iqh s ARG 150 CO 0.00 -1.79 0.00 0.94 -1.08 0.00 0.00 175.30 173.37 1iqh n GLN 151 N -3.18 0.00 -3.64 3.89 -0.06 -1.26 -3.63 117.38 109.51 1iqh n GLN 151 Ca 0.15 0.00 -0.07 0.00 -2.00 0.00 0.00 57.00 55.07 1iqh n GLN 151 Cb 0.60 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.71 1iqh n GLN 151 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1iqh s SER 152 N -1.66 -0.63 0.06 1.69 0.15 -0.27 -4.02 113.70 109.01 1iqh s SER 152 Ca 0.00 1.09 0.10 0.00 0.70 0.00 0.00 55.95 57.84 1iqh s SER 152 Cb 0.00 1.19 -0.21 0.00 -1.71 0.00 0.00 66.02 65.29 1iqh s SER 152 CO 0.00 -0.18 1.02 0.71 1.20 0.00 0.00 173.24 175.99 1iqh h THR 153 N 4.39 1.30 -2.99 6.45 1.35 -1.89 -3.46 112.91 118.06 1iqh h THR 153 Ca -0.29 -3.05 -0.63 0.00 -0.55 0.00 0.00 66.41 61.89 1iqh h THR 153 Cb 1.19 2.64 -0.09 0.00 -1.73 0.00 0.00 68.15 70.16 1iqh h THR 153 CO 0.14 0.74 -0.40 -0.13 -0.25 0.00 0.00 175.52 175.61 1iqh s ARG 154 N -2.68 3.88 0.07 4.72 1.81 -1.26 -0.36 118.95 125.12 1iqh s ARG 154 Ca -0.01 -0.01 -0.31 0.00 -1.72 0.00 0.00 55.73 53.68 1iqh s ARG 154 Cb 0.09 -3.30 -0.06 0.00 -0.45 0.00 0.00 34.95 31.23 1iqh s ARG 154 CO 0.82 0.53 1.24 -1.17 -0.68 0.00 0.00 175.30 176.04 1iqh s LEU 155 N -0.37 4.37 0.26 2.53 2.96 0.91 -4.75 118.68 124.58 1iqh s LEU 155 Ca 0.15 2.09 0.11 0.00 -0.22 0.00 0.00 54.13 56.26 1iqh s LEU 155 Cb -0.13 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 1iqh s LEU 155 CO 0.04 -0.51 -0.13 -0.54 -1.32 0.00 0.00 176.35 173.89 1iqh s LYS 156 N 1.07 1.90 -0.03 1.98 1.02 0.03 -1.64 119.74 124.07 1iqh s LYS 156 Ca 0.60 -1.59 -0.00 0.00 0.02 0.00 0.00 55.97 55.00 1iqh s LYS 156 Cb -0.31 -1.94 0.03 0.00 -0.52 0.00 0.00 37.83 35.09 1iqh s LYS 156 CO 0.29 0.36 0.02 0.00 -0.92 0.00 0.00 175.35 175.10 1iqh s MET 157 N -3.44 0.13 0.01 1.68 0.23 -1.11 -0.79 119.30 116.02 1iqh s MET 157 Ca 0.29 0.17 0.06 0.00 -1.03 0.00 0.00 55.69 55.19 1iqh s MET 157 Cb -0.06 -0.44 -0.03 0.00 -1.53 0.00 0.00 34.83 32.77 1iqh s MET 157 CO 0.16 -0.19 -0.18 -1.17 -2.03 0.00 0.00 175.02 171.61 1iqh s LEU 158 N 1.31 2.57 -0.74 0.18 0.20 0.16 -1.94 118.68 120.43 1iqh s LEU 158 Ca -0.06 -0.38 -0.18 0.00 0.69 0.00 0.00 54.13 54.21 1iqh s LEU 158 Cb -0.13 -1.50 0.14 0.00 -0.43 0.00 0.00 46.19 44.26 1iqh s LEU 158 CO -0.03 0.28 0.83 -0.70 -0.29 0.00 0.00 176.35 176.45 1iqh s GLU 159 N -1.17 3.32 -0.32 1.98 2.12 -1.26 -1.61 118.70 121.76 1iqh s GLU 159 Ca 0.13 -1.70 -0.17 0.00 0.36 0.00 0.00 54.97 53.59 1iqh s GLU 159 Cb -0.10 -4.47 -0.01 0.00 0.26 0.00 0.00 34.13 29.80 1iqh s GLU 159 CO 0.03 -1.55 0.48 0.14 -0.54 0.00 0.00 175.26 173.83 1iqh s VAL 160 N 2.10 5.06 0.60 3.70 -7.23 0.86 -4.82 120.40 120.67 1iqh s VAL 160 Ca 0.19 0.48 -0.17 0.00 -1.81 0.00 0.00 61.98 60.66 1iqh s VAL 160 Cb -0.16 -3.88 -0.03 0.00 0.56 0.00 0.00 36.38 32.87 1iqh s VAL 160 CO -0.01 -0.08 1.09 -2.16 -0.31 0.00 0.00 175.10 173.63 1iqh s PRO 161 N 2.30 3.17 0.36 4.82 0.04 -1.26 -0.51 135.00 143.92 1iqh s PRO 161 Ca 0.18 1.37 -0.27 0.00 0.04 0.00 0.00 61.00 62.32 1iqh s PRO 161 Cb -0.16 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 1iqh s PRO 161 CO 0.12 -0.95 1.24 0.71 0.04 0.00 0.00 177.00 178.16 1iqh s TYR 162 N -2.23 3.07 -0.07 0.56 2.02 -1.02 -1.51 117.35 118.17 1iqh s TYR 162 Ca 0.67 1.49 -0.02 0.00 -0.37 0.00 0.00 57.07 58.84 1iqh s TYR 162 Cb -0.19 -3.55 -0.03 0.00 -0.40 0.00 0.00 41.96 37.79 1iqh s TYR 162 CO 0.35 -1.59 0.02 0.08 -1.57 0.00 0.00 175.55 172.84 1iqh s VAL 163 N -1.25 4.42 0.33 0.71 1.01 -1.20 -4.86 120.40 119.57 1iqh s VAL 163 Ca 0.52 -0.28 -0.28 0.00 0.00 0.00 0.00 61.98 61.95 1iqh s VAL 163 Cb -0.36 -2.90 -0.12 0.00 0.00 0.00 0.00 36.38 33.00 1iqh s VAL 163 CO 0.46 0.55 1.26 -0.67 0.00 0.00 0.00 175.10 176.70 1iqh n ASP 164 N 1.93 2.61 0.17 3.32 2.03 -1.26 -4.68 116.55 120.66 1iqh n ASP 164 Ca -0.18 1.20 0.02 0.00 0.52 0.00 0.00 54.79 56.36 1iqh n ASP 164 Cb 0.53 -1.46 0.31 0.00 -0.72 0.00 0.00 41.12 39.78 1iqh n ASP 164 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1iqh h ARG 165 N 2.50 0.00 0.21 -0.67 2.43 -1.97 -1.45 114.38 115.43 1iqh h ARG 165 Ca -0.45 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.39 1iqh h ARG 165 Cb 1.29 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.86 1iqh h ARG 165 CO 0.62 0.44 -1.53 -0.91 -1.51 0.00 0.00 179.97 177.08 1iqh h ASN 166 N 0.00 0.70 -0.43 -3.80 2.35 -1.99 -1.01 115.58 111.40 1iqh h ASN 166 Ca -0.00 -0.83 -0.04 0.00 -0.55 0.00 0.00 56.30 54.88 1iqh h ASN 166 Cb 0.80 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 1iqh h ASN 166 CO 0.06 1.66 0.14 0.28 -1.65 0.00 0.00 177.43 177.92 1iqh h SER 167 N 0.12 0.67 0.06 5.81 0.02 -1.95 0.21 113.55 118.50 1iqh h SER 167 Ca -0.26 -0.10 0.01 0.00 -0.84 0.00 0.00 61.79 60.59 1iqh h SER 167 Cb 2.12 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 64.46 1iqh h SER 167 CO 0.23 0.66 -0.25 0.00 -1.14 0.00 0.00 176.83 176.33 1iqh h LYS 169 N -0.35 0.62 -0.38 0.00 1.57 -0.54 -2.42 116.57 115.06 1iqh h LYS 169 Ca -0.00 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 1iqh h LYS 169 Cb 0.36 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1iqh h LYS 169 CO -0.13 0.41 -0.20 -0.07 -0.57 0.00 0.00 179.45 178.88 1iqh h LEU 170 N 0.64 0.74 -0.62 2.94 3.38 -0.28 -3.16 115.31 118.96 1iqh h LEU 170 Ca 0.36 -0.26 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 1iqh h LEU 170 Cb 0.36 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1iqh h LEU 170 CO -0.26 0.93 -0.50 0.77 0.09 0.00 0.00 178.44 179.48 1iqh h SER 171 N 0.65 0.54 -3.02 -0.43 4.64 -0.34 -3.46 113.55 112.13 1iqh h SER 171 Ca 0.10 -0.27 -0.39 0.00 -0.47 0.00 0.00 61.79 60.76 1iqh h SER 171 Cb 0.69 -0.15 0.22 0.00 -0.31 0.00 0.00 62.40 62.85 1iqh h SER 171 CO 0.05 0.95 -0.12 -0.55 -0.87 0.00 0.00 176.83 176.29 1iqh s SER 172 N -6.89 -0.99 0.00 4.97 0.15 -0.94 -4.83 113.70 105.17 1iqh s SER 172 Ca -0.07 0.97 0.00 0.00 0.70 0.00 0.00 55.95 57.55 1iqh s SER 172 Cb 0.12 -1.41 0.00 0.00 -1.71 0.00 0.00 66.02 63.02 1iqh s SER 172 CO 0.82 -5.34 0.44 -1.20 1.20 0.00 0.00 173.24 169.17 1iqh n SER 173 N -5.63 0.70 -3.98 5.45 7.64 -1.26 -5.04 113.62 111.49 1iqh n SER 173 Ca 0.11 -1.19 -0.08 0.00 1.01 0.00 0.00 58.87 58.71 1iqh n SER 173 Cb 0.59 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.70 1iqh n SER 173 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1iqh s PHE 174 N -0.19 0.32 0.41 1.43 0.08 -1.26 -5.14 117.98 113.62 1iqh s PHE 174 Ca 0.00 -0.73 -0.27 0.00 0.12 0.00 0.00 56.93 56.05 1iqh s PHE 174 Cb 0.00 -0.23 -0.10 0.00 -0.57 0.00 0.00 43.02 42.12 1iqh s PHE 174 CO 0.00 -0.38 1.44 0.42 -0.10 0.00 0.00 175.22 176.60 1iqh s ILE 175 N -3.16 2.13 -0.72 0.64 -1.09 -1.26 -4.98 121.20 112.77 1iqh s ILE 175 Ca -0.00 0.13 -0.05 0.00 -2.23 0.00 0.00 60.65 58.50 1iqh s ILE 175 Cb 0.02 -3.08 0.19 0.00 -1.58 0.00 0.00 42.46 38.01 1iqh s ILE 175 CO -0.07 0.03 0.57 -0.63 -1.23 0.00 0.00 174.94 173.61 1iqh s ILE 176 N -1.16 4.24 1.22 2.92 -1.09 -1.26 -5.09 121.20 120.97 1iqh s ILE 176 Ca 0.56 -3.03 -0.15 0.00 -2.23 0.00 0.00 60.65 55.80 1iqh s ILE 176 Cb -0.44 -3.70 0.30 0.00 -1.58 0.00 0.00 42.46 37.04 1iqh s ILE 176 CO 0.59 -0.95 1.01 0.42 -1.23 0.00 0.00 174.94 174.78 1iqh s THR 177 N -0.27 1.85 0.43 2.92 -4.23 -1.26 -4.88 115.64 110.20 1iqh s THR 177 Ca 0.19 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 60.86 1iqh s THR 177 Cb -0.16 -2.10 0.36 0.00 1.34 0.00 0.00 72.50 71.94 1iqh s THR 177 CO -0.06 0.00 1.92 1.56 -0.54 0.00 0.00 174.62 177.50 1iqh h GLN 178 N -2.77 0.39 -2.41 3.99 7.50 -2.03 -2.61 115.11 117.17 1iqh h GLN 178 Ca -0.59 -0.02 -0.71 0.00 0.50 0.00 0.00 58.65 57.83 1iqh h GLN 178 Cb 1.34 -0.09 -0.17 0.00 0.05 0.00 0.00 27.48 28.61 1iqh h GLN 178 CO 0.47 0.26 1.75 0.09 -1.50 0.00 0.00 178.83 179.90 1iqh n ASN 179 N -4.48 7.63 -3.51 1.46 3.02 -1.26 -4.85 115.26 113.27 1iqh n ASN 179 Ca 0.15 -3.29 -0.08 0.00 -0.03 0.00 0.00 54.58 51.33 1iqh n ASN 179 Cb 0.55 -1.29 -0.02 0.00 -0.61 0.00 0.00 39.78 38.41 1iqh n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1iqh s MET 180 N -1.97 0.84 -0.18 3.52 -1.94 -0.99 -3.90 119.30 114.69 1iqh s MET 180 Ca 0.52 -0.32 -0.28 0.00 -1.71 0.00 0.00 55.69 53.90 1iqh s MET 180 Cb 0.23 0.38 0.11 0.00 2.01 0.00 0.00 34.83 37.56 1iqh s MET 180 CO -0.14 -0.37 0.90 -0.59 -0.01 0.00 0.00 175.02 174.81 1iqh s PHE 181 N -3.14 -0.52 0.48 -0.03 -0.12 -0.54 -4.69 117.98 109.42 1iqh s PHE 181 Ca 0.05 1.05 -0.08 0.00 -0.05 0.00 0.00 56.93 57.90 1iqh s PHE 181 Cb -0.01 0.39 -0.05 0.00 -0.63 0.00 0.00 43.02 42.73 1iqh s PHE 181 CO -0.09 -0.38 0.83 0.00 -0.05 0.00 0.00 175.22 175.53 1iqh s ALA 183 N -2.71 -2.00 0.00 0.00 0.00 -0.76 -3.24 121.76 113.05 1iqh s ALA 183 Ca 0.50 1.75 0.00 0.00 0.00 0.00 0.00 51.96 54.21 1iqh s ALA 183 Cb -0.10 -1.22 0.00 0.00 0.00 0.00 0.00 23.12 21.79 1iqh s ALA 183 CO 0.42 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.35 1iqh n GLY 184 N 1.47 0.25 3.02 0.00 0.00 -0.57 -1.96 105.19 107.39 1iqh n GLY 184 Ca -0.10 -1.48 -0.08 0.00 0.00 0.00 0.00 46.02 44.35 1iqh n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iqh s TYR 185 N -0.97 0.37 -0.13 1.61 2.02 -1.26 -4.29 117.35 114.69 1iqh s TYR 185 Ca 0.00 -0.72 -0.18 0.00 -0.37 0.00 0.00 57.07 55.80 1iqh s TYR 185 Cb 0.00 -0.27 -0.16 0.00 -0.40 0.00 0.00 41.96 41.13 1iqh s TYR 185 CO 0.00 -0.25 0.45 0.22 -1.57 0.00 0.00 175.55 174.40 1iqh h ASP 185 N 4.11 0.00 0.00 2.29 -0.00 -1.90 -3.42 116.42 117.50 1iqh h ASP 185 Ca -0.33 -0.60 -0.26 0.00 -0.00 0.00 0.00 57.03 55.84 1iqh h ASP 185 Cb 1.19 0.00 -0.05 0.00 -0.00 0.00 0.00 39.33 40.47 1iqh h ASP 185 CO 0.50 0.86 -1.99 0.35 -0.00 0.00 0.00 179.24 178.96 1iqh n THR 185 N -4.65 1.00 -1.68 2.25 -2.24 -1.26 -1.09 114.28 106.61 1iqh n THR 185 Ca -0.08 -0.43 -0.46 0.00 -2.27 0.00 0.00 64.05 60.82 1iqh n THR 185 Cb 0.33 -1.03 -0.04 0.00 -2.10 0.00 0.00 70.33 67.49 1iqh n THR 185 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1iqh n LYS 186 N -2.92 2.24 -0.99 -0.78 4.81 -1.26 -4.81 118.16 114.45 1iqh n LYS 186 Ca -0.29 0.81 -0.35 0.00 -0.87 0.00 0.00 58.31 57.60 1iqh n LYS 186 Cb 0.86 -2.59 -0.04 0.00 0.02 0.00 0.00 35.03 33.27 1iqh n LYS 186 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1iqh n GLN 187 N 3.70 1.66 -3.70 1.64 1.13 -1.26 -4.71 117.38 115.84 1iqh n GLN 187 Ca 0.17 -1.68 -0.12 0.00 -1.94 0.00 0.00 57.00 53.42 1iqh n GLN 187 Cb 0.30 -2.74 -0.13 0.00 0.11 0.00 0.00 30.24 27.78 1iqh n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1iqh s GLU 188 N 4.47 0.20 0.00 -1.09 2.02 -1.26 -4.25 118.70 118.79 1iqh s GLU 188 Ca 0.50 0.66 0.00 0.00 0.02 0.00 0.00 54.97 56.15 1iqh s GLU 188 Cb 0.13 -0.06 0.00 0.00 0.10 0.00 0.00 34.13 34.30 1iqh s GLU 188 CO 0.06 -0.21 0.00 -3.47 0.02 0.00 0.00 175.26 171.66 1iqh n ASP 189 N 4.71 0.00 -3.60 -0.19 2.03 -1.12 -4.30 116.55 114.09 1iqh n ASP 189 Ca -0.17 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.84 1iqh n ASP 189 Cb 0.52 0.00 0.27 0.00 -0.72 0.00 0.00 41.12 41.18 1iqh n ASP 189 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iqh s ALA 190 N -2.00 -0.12 0.00 -1.67 0.00 -1.26 -1.11 121.76 115.60 1iqh s ALA 190 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1iqh s ALA 190 Cb 0.00 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.21 1iqh s ALA 190 CO 0.00 -4.15 0.00 0.00 0.00 0.00 0.00 175.76 171.61 1iqh n GLN 192 N 0.00 1.96 -0.71 0.00 7.27 -1.26 -1.90 117.38 122.74 1iqh n GLN 192 Ca 0.00 0.69 0.00 0.00 0.07 0.00 0.00 57.00 57.76 1iqh n GLN 192 Cb 0.00 -2.23 0.00 0.00 2.41 0.00 0.00 30.24 30.42 1iqh n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1iqh n GLY 193 N 0.92 1.10 0.03 1.69 0.00 -1.26 -2.08 105.19 105.58 1iqh n GLY 193 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 1iqh n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iqh n ASP 194 N 0.00 1.01 -4.64 1.61 10.43 -0.80 -3.86 116.55 120.29 1iqh n ASP 194 Ca 0.00 -1.00 -0.42 0.00 2.57 0.00 0.00 54.79 55.93 1iqh n ASP 194 Cb 0.00 0.97 0.00 0.00 1.84 0.00 0.00 41.12 43.93 1iqh n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1iqh n SER 195 N -1.38 1.90 0.00 -2.24 7.64 -1.26 -0.10 113.62 118.18 1iqh n SER 195 Ca 0.04 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1iqh n SER 195 Cb 0.32 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.12 1iqh n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iqh n GLY 196 N 1.01 3.01 3.45 0.23 0.00 0.49 -0.34 105.19 113.05 1iqh n GLY 196 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1iqh n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqh n GLY 197 N -1.63 -1.74 3.81 -0.02 0.00 0.86 -3.29 105.19 103.19 1iqh n GLY 197 Ca 0.00 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 1iqh n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iqh s PRO 198 N -3.46 3.94 -0.35 1.61 0.04 -1.25 -1.51 135.00 134.02 1iqh s PRO 198 Ca 0.60 1.22 0.01 0.00 0.04 0.00 0.00 61.00 62.88 1iqh s PRO 198 Cb -0.25 -2.13 0.11 0.00 0.04 0.00 0.00 34.50 32.27 1iqh s PRO 198 CO 0.64 -0.29 0.12 -1.58 0.04 0.00 0.00 177.00 175.93 1iqh s HIS 199 N -2.14 2.18 0.15 0.56 2.46 0.15 -3.22 115.29 115.44 1iqh s HIS 199 Ca 0.64 -2.16 0.06 0.00 0.47 0.00 0.00 55.06 54.08 1iqh s HIS 199 Cb -0.13 -2.00 -0.04 0.00 -0.13 0.00 0.00 32.58 30.28 1iqh s HIS 199 CO 0.19 -0.87 0.04 0.14 -2.47 0.00 0.00 174.74 171.78 1iqh s VAL 200 N 1.17 4.03 -0.08 0.89 -7.23 0.19 -1.36 120.40 118.01 1iqh s VAL 200 Ca 0.12 -1.22 0.04 0.00 -1.81 0.00 0.00 61.98 59.11 1iqh s VAL 200 Cb -0.19 -3.02 -0.01 0.00 0.56 0.00 0.00 36.38 33.72 1iqh s VAL 200 CO -0.16 -0.06 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.47 1iqh s THR 201 N -1.65 2.36 -0.01 5.32 2.01 -0.63 0.20 115.64 123.24 1iqh s THR 201 Ca 0.28 -0.94 -0.14 0.00 0.31 0.00 0.00 61.69 61.21 1iqh s THR 201 Cb -0.10 -1.91 -0.05 0.00 0.01 0.00 0.00 72.50 70.45 1iqh s THR 201 CO 0.20 0.56 0.38 -0.60 -0.69 0.00 0.00 174.62 174.47 1iqh s ARG 202 N 0.00 3.86 -0.30 4.92 3.52 -1.26 -0.85 118.95 128.84 1iqh s ARG 202 Ca -0.07 0.35 0.02 0.00 -0.13 0.00 0.00 55.73 55.89 1iqh s ARG 202 Cb -0.15 -3.21 0.16 0.00 -1.56 0.00 0.00 34.95 30.18 1iqh s ARG 202 CO 0.05 0.70 0.40 0.12 -0.81 0.00 0.00 175.30 175.76 1iqh s PHE 203 N -1.08 -0.91 -0.74 5.12 5.36 0.84 -4.94 117.98 121.64 1iqh s PHE 203 Ca 0.23 0.18 -0.02 0.00 -0.96 0.00 0.00 56.93 56.35 1iqh s PHE 203 Cb -0.16 -0.20 -0.02 0.00 -0.34 0.00 0.00 43.02 42.29 1iqh s PHE 203 CO 0.12 -0.98 0.63 1.63 -1.46 0.00 0.00 175.22 175.16 1iqh n LYS 204 N 5.25 -2.93 -1.60 10.12 5.02 -1.26 -3.00 118.16 129.76 1iqh n LYS 204 Ca 0.01 0.56 -0.20 0.00 -2.02 0.00 0.00 58.31 56.67 1iqh n LYS 204 Cb 0.49 -4.52 -0.08 0.00 -0.02 0.00 0.00 35.03 30.89 1iqh n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1iqh n ASP 205 N -2.51 -5.25 -3.97 4.39 8.00 -1.26 -4.96 116.55 111.00 1iqh n ASP 205 Ca -0.12 0.48 -0.21 0.00 0.71 0.00 0.00 54.79 55.65 1iqh n ASP 205 Cb 0.60 -4.65 -0.16 0.00 -0.02 0.00 0.00 41.12 36.89 1iqh n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1iqh s THR 206 N -2.69 0.77 -0.11 -3.53 2.01 -1.16 -5.15 115.64 105.78 1iqh s THR 206 Ca 0.00 -0.30 -0.02 0.00 0.31 0.00 0.00 61.69 61.67 1iqh s THR 206 Cb 0.00 -0.72 -0.03 0.00 0.01 0.00 0.00 72.50 71.76 1iqh s THR 206 CO 0.00 0.26 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.87 1iqh s TYR 207 N 0.54 3.11 -0.00 4.92 1.51 -1.26 -0.11 117.35 126.05 1iqh s TYR 207 Ca -0.09 0.05 0.06 0.00 -1.01 0.00 0.00 57.07 56.08 1iqh s TYR 207 Cb -0.12 -1.84 -0.03 0.00 -0.11 0.00 0.00 41.96 39.86 1iqh s TYR 207 CO 0.01 0.31 -0.17 -0.06 -1.11 0.00 0.00 175.55 174.54 1iqh s PHE 208 N -0.49 2.61 -0.96 2.71 0.08 -0.03 -2.89 117.98 119.01 1iqh s PHE 208 Ca 0.08 -0.22 -0.24 0.00 0.12 0.00 0.00 56.93 56.67 1iqh s PHE 208 Cb -0.12 -1.54 -0.00 0.00 -0.57 0.00 0.00 43.02 40.79 1iqh s PHE 208 CO 0.02 0.21 1.73 0.08 -0.10 0.00 0.00 175.22 177.16 1iqh s VAL 209 N -0.83 3.66 -0.53 -0.44 1.01 0.72 -1.61 120.40 122.38 1iqh s VAL 209 Ca 0.13 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1iqh s VAL 209 Cb -0.11 -4.48 0.53 0.00 0.00 0.00 0.00 36.38 32.33 1iqh s VAL 209 CO 0.03 -1.38 1.95 0.35 0.00 0.00 0.00 175.10 176.05 1iqh n THR 210 N 7.44 3.32 0.00 3.92 -2.24 -0.46 -4.77 114.28 121.49 1iqh n THR 210 Ca 0.37 -2.31 0.00 0.00 -2.27 0.00 0.00 64.05 59.85 1iqh n THR 210 Cb 0.49 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 1iqh n THR 210 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iqh n GLY 211 N -0.94 4.35 3.46 3.38 0.00 -1.05 -4.49 105.19 109.91 1iqh n GLY 211 Ca 0.58 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 1iqh n GLY 211 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iqh s ILE 212 N -1.53 3.92 -0.11 -0.61 1.01 -1.00 -0.67 121.20 122.21 1iqh s ILE 212 Ca 0.00 -0.33 -0.34 0.00 0.00 0.00 0.00 60.65 59.98 1iqh s ILE 212 Cb 0.00 -2.75 -0.12 0.00 0.01 0.00 0.00 42.46 39.60 1iqh s ILE 212 CO 0.00 0.45 1.90 0.52 0.00 0.00 0.00 174.94 177.81 1iqh n VAL 213 N 3.98 0.57 0.00 2.92 0.31 -0.57 0.03 118.33 125.56 1iqh n VAL 213 Ca -0.17 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1iqh n VAL 213 Cb 0.52 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 1iqh n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1iqh n SER 214 N 6.85 0.00 -3.26 4.52 2.88 -1.02 -0.38 113.62 123.20 1iqh n SER 214 Ca 0.23 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.66 1iqh n SER 214 Cb 0.29 -0.19 -0.02 0.00 -0.75 0.00 0.00 64.21 63.54 1iqh n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1iqh s TRP 215 N -0.80 0.58 -0.04 0.66 1.48 0.69 -4.84 118.94 116.65 1iqh s TRP 215 Ca 0.00 -0.99 -0.29 0.00 -1.06 0.00 0.00 56.10 53.75 1iqh s TRP 215 Cb 0.00 0.32 0.11 0.00 -1.16 0.00 0.00 33.47 32.73 1iqh s TRP 215 CO 0.00 -1.28 0.92 0.20 -4.06 0.00 0.00 176.95 172.73 1iqh s GLY 216 N -3.13 -0.42 -1.00 3.67 0.00 -1.26 0.69 107.32 105.86 1iqh s GLY 216 Ca 0.23 1.24 -0.12 0.00 0.00 0.00 0.00 44.72 46.08 1iqh s GLY 216 CO 0.15 0.50 1.00 -0.54 0.00 0.00 0.00 173.10 174.21 1iqh s GLU 217 N -2.65 3.93 0.95 2.90 2.02 -1.26 -4.93 118.70 119.67 1iqh s GLU 217 Ca 0.03 -2.80 0.00 0.00 0.02 0.00 0.00 54.97 52.23 1iqh s GLU 217 Cb -0.01 -4.57 0.00 0.00 0.10 0.00 0.00 34.13 29.66 1iqh s GLU 217 CO -0.06 -1.33 0.00 0.41 0.02 0.00 0.00 175.26 174.30 1iqh n GLY 218 N 3.46 -1.73 2.73 -1.39 0.00 -1.26 -4.70 105.19 102.29 1iqh n GLY 218 Ca 0.21 -1.66 -0.25 0.00 0.00 0.00 0.00 46.02 44.32 1iqh n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqh n ALA 221 N 5.14 -0.65 -1.89 0.00 0.00 -1.26 -4.53 120.51 117.31 1iqh n ALA 221 Ca -0.08 0.19 -0.40 0.00 0.00 0.00 0.00 53.44 53.15 1iqh n ALA 221 Cb 0.49 -2.59 -0.05 0.00 0.00 0.00 0.00 19.45 17.29 1iqh n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1iqh s ARG 222 N -5.17 4.80 0.39 0.00 0.52 -1.26 -4.76 118.95 113.47 1iqh s ARG 222 Ca 0.12 1.51 -0.27 0.00 -0.52 0.00 0.00 55.73 56.57 1iqh s ARG 222 Cb -0.05 -3.30 -0.11 0.00 0.52 0.00 0.00 34.95 32.01 1iqh s ARG 222 CO 0.15 0.41 1.28 1.63 0.02 0.00 0.00 175.30 178.79 1iqh n LYS 223 N 1.82 2.02 -1.04 3.54 5.02 -1.25 -1.87 118.16 126.41 1iqh n LYS 223 Ca -0.01 0.71 -0.01 0.00 -2.02 0.00 0.00 58.31 56.98 1iqh n LYS 223 Cb 0.47 -2.36 -0.01 0.00 -0.02 0.00 0.00 35.03 33.11 1iqh n LYS 223 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iqh n GLY 223 N 0.79 0.23 3.33 0.72 0.00 -0.25 -4.96 105.19 105.05 1iqh n GLY 223 Ca 0.06 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 1iqh n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iqh s LYS 224 N -1.71 1.40 0.30 1.61 -0.14 -0.78 -4.72 119.74 115.71 1iqh s LYS 224 Ca 0.00 -1.17 0.01 0.00 -1.36 0.00 0.00 55.97 53.44 1iqh s LYS 224 Cb 0.00 -1.70 0.01 0.00 -1.68 0.00 0.00 37.83 34.46 1iqh s LYS 224 CO 0.00 0.41 0.06 0.66 -0.76 0.00 0.00 175.35 175.72 1iqh n TYR 225 N 1.31 0.30 -3.93 3.18 4.01 -1.26 -4.55 117.16 116.21 1iqh n TYR 225 Ca -0.18 -1.44 -0.35 0.00 -0.16 0.00 0.00 57.90 55.76 1iqh n TYR 225 Cb 0.53 -0.21 -0.13 0.00 -0.31 0.00 0.00 39.34 39.22 1iqh n TYR 225 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1iqh s GLY 226 N -2.75 1.69 -0.27 2.72 0.00 -0.83 -4.34 107.32 103.54 1iqh s GLY 226 Ca 0.04 -1.09 -0.16 0.00 0.00 0.00 0.00 44.72 43.51 1iqh s GLY 226 CO 0.03 0.38 0.45 -0.42 0.00 0.00 0.00 173.10 173.54 1iqh s ILE 227 N 1.34 5.12 0.37 0.90 -1.09 0.22 -1.83 121.20 126.21 1iqh s ILE 227 Ca 0.04 0.72 0.08 0.00 -2.23 0.00 0.00 60.65 59.26 1iqh s ILE 227 Cb -0.15 -3.77 -0.03 0.00 -1.58 0.00 0.00 42.46 36.94 1iqh s ILE 227 CO 0.01 0.12 0.31 -0.31 -1.23 0.00 0.00 174.94 173.83 1iqh s TYR 228 N 2.20 2.81 0.05 3.97 1.51 0.29 -0.23 117.35 127.95 1iqh s TYR 228 Ca 0.18 -0.38 -0.21 0.00 -1.01 0.00 0.00 57.07 55.65 1iqh s TYR 228 Cb -0.16 -1.92 -0.06 0.00 -0.11 0.00 0.00 41.96 39.71 1iqh s TYR 228 CO 0.10 0.09 0.62 0.99 -1.11 0.00 0.00 175.55 176.24 1iqh s THR 229 N -2.38 4.77 -1.11 -0.71 2.01 0.10 -1.46 115.64 116.86 1iqh s THR 229 Ca 0.43 1.32 -0.19 0.00 0.31 0.00 0.00 61.69 63.56 1iqh s THR 229 Cb -0.04 -3.96 0.09 0.00 0.01 0.00 0.00 72.50 68.60 1iqh s THR 229 CO 0.27 0.48 1.45 -0.75 -0.69 0.00 0.00 174.62 175.38 1iqh s LYS 230 N -0.64 3.79 0.25 4.92 2.20 -1.25 -2.39 119.74 126.62 1iqh s LYS 230 Ca 0.31 -1.76 -0.06 0.00 -0.36 0.00 0.00 55.97 54.11 1iqh s LYS 230 Cb -0.19 -5.26 0.46 0.00 -1.51 0.00 0.00 37.83 31.33 1iqh s LYS 230 CO 0.19 -2.05 1.64 0.28 -0.36 0.00 0.00 175.35 175.06 1iqh h VAL 231 N 5.88 0.36 -0.84 4.02 2.07 -1.88 0.33 116.25 126.19 1iqh h VAL 231 Ca 0.28 -0.05 0.24 0.00 0.82 0.00 0.00 66.70 67.99 1iqh h VAL 231 Cb 0.95 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1iqh h VAL 231 CO 1.33 0.02 0.60 0.71 0.02 0.00 0.00 177.57 180.25 1iqh h THR 232 N 0.13 0.60 0.00 2.57 1.35 -1.89 0.93 112.91 116.60 1iqh h THR 232 Ca 0.42 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 66.26 1iqh h THR 232 Cb 0.76 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1iqh h THR 232 CO -0.64 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 174.64 1iqh h ALA 233 N 1.59 1.00 0.00 6.62 0.00 -0.72 -3.28 119.26 124.47 1iqh h ALA 233 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1iqh h ALA 233 Cb 1.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1iqh h ALA 233 CO -0.03 0.00 -0.59 1.19 0.00 0.00 0.00 179.25 179.82 1iqh n PHE 234 N -2.63 0.00 0.00 0.00 3.72 0.31 -4.85 117.46 114.01 1iqh n PHE 234 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1iqh n PHE 234 Cb 0.35 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 1iqh n PHE 234 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1iqh n LEU 235 N -1.30 0.00 -0.41 4.37 7.99 -0.50 0.14 117.00 127.28 1iqh n LEU 235 Ca 0.02 0.31 0.33 0.00 -0.01 0.00 0.00 56.01 56.66 1iqh n LEU 235 Cb 0.18 -0.14 0.62 0.00 -0.11 0.00 0.00 43.42 43.97 1iqh n LEU 235 CO 0.23 -0.14 1.25 0.11 -1.51 0.00 0.00 177.39 177.32 1iqh h LYS 236 N 0.00 0.16 0.01 3.23 1.57 -1.88 0.31 116.57 119.96 1iqh h LYS 236 Ca 0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1iqh h LYS 236 Cb 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1iqh h LYS 236 CO 0.00 0.11 -0.00 2.35 -0.57 0.00 0.00 179.45 181.33 1iqh h TRP 237 N 0.17 -0.01 -0.72 -1.35 7.01 0.83 -0.07 115.95 121.81 1iqh h TRP 237 Ca 0.74 -0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.83 1iqh h TRP 237 Cb 2.28 0.00 -0.07 0.00 -2.10 0.00 0.00 29.16 29.27 1iqh h TRP 237 CO -0.00 0.33 0.36 0.82 -2.79 0.00 0.00 178.44 177.16 1iqh h ILE 238 N -0.35 0.84 0.60 2.65 5.03 0.22 0.19 117.51 126.68 1iqh h ILE 238 Ca -0.00 -0.21 -0.02 0.00 -0.12 0.00 0.00 64.86 64.51 1iqh h ILE 238 Cb 0.35 0.18 -0.00 0.00 -3.03 0.00 0.00 36.82 34.32 1iqh h ILE 238 CO 0.00 0.11 -0.34 0.44 -0.68 0.00 0.00 178.15 177.68 1iqh h ASP 239 N 0.60 -0.84 0.02 1.72 5.19 -1.03 0.78 116.42 122.88 1iqh h ASP 239 Ca 0.36 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.81 1iqh h ASP 239 Cb 0.38 0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.13 1iqh h ASP 239 CO -0.27 -0.55 0.00 -1.14 -3.12 0.00 0.00 179.24 174.16 1iqh n ARG 240 N -5.48 0.01 -0.06 3.56 0.63 -0.05 -1.18 116.66 114.07 1iqh n ARG 240 Ca -0.13 0.36 -0.03 0.00 -0.92 0.00 0.00 57.85 57.13 1iqh n ARG 240 Cb 0.37 -1.50 -0.14 0.00 0.45 0.00 0.00 32.46 31.64 1iqh n ARG 240 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1iqh n SER 241 N -1.37 0.62 -0.94 6.15 7.64 0.57 -4.06 113.62 122.24 1iqh n SER 241 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.88 1iqh n SER 241 Cb 0.01 1.22 0.06 0.00 -1.01 0.00 0.00 64.21 64.49 1iqh n SER 241 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1iqh n MET 242 N -2.51 1.56 0.00 1.43 2.81 0.14 0.31 117.12 120.86 1iqh n MET 242 Ca -0.21 -0.59 0.00 0.00 -1.81 0.00 0.00 57.70 55.09 1iqh n MET 242 Cb 0.90 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.92 1iqh n MET 242 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1iqh n LYS 243 N 0.14 -0.20 -1.60 0.03 4.76 -1.23 -5.06 118.16 115.01 1iqh n LYS 243 Ca 0.08 -0.27 0.00 0.00 -2.87 0.00 0.00 58.31 55.24 1iqh n LYS 243 Cb 0.54 -0.69 0.00 0.00 -1.84 0.00 0.00 35.03 33.04 1iqh n LYS 243 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1iqh n THR 244 N -0.02 -9.07 -1.31 -0.18 -1.04 0.15 -5.12 114.28 97.68 1iqh n THR 244 Ca 0.00 2.42 0.00 0.00 -2.04 0.00 0.00 64.05 64.43 1iqh n THR 244 Cb 0.19 -4.18 0.00 0.00 -1.82 0.00 0.00 70.33 64.52 1iqh n THR 244 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29