#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqe s VAL 17 N 0.00 5.16 0.00 1.39 1.01 0.08 -4.29 120.40 123.75 1iqe s VAL 17 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.04 1iqe s VAL 17 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1iqe s VAL 17 CO 0.00 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1iqe n GLY 18 N 3.22 1.33 7.00 4.51 0.00 -1.26 -3.41 105.19 116.59 1iqe n GLY 18 Ca -0.06 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1iqe n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqe n GLY 19 N 0.00 0.59 3.29 -0.02 0.00 -1.26 -4.89 105.19 102.91 1iqe n GLY 19 Ca 0.00 -0.82 -0.17 0.00 0.00 0.00 0.00 46.02 45.03 1iqe n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1iqe s GLN 20 N 0.00 1.18 -0.08 1.61 -1.52 0.11 -4.96 119.66 116.00 1iqe s GLN 20 Ca 0.00 -1.46 -0.27 0.00 -1.95 0.00 0.00 55.36 51.68 1iqe s GLN 20 Cb 0.00 -0.94 -0.02 0.00 -0.22 0.00 0.00 33.01 31.82 1iqe s GLN 20 CO 0.00 0.16 0.88 -2.00 -0.25 0.00 0.00 175.29 174.07 1iqe s GLU 21 N -3.40 4.44 -0.13 2.91 2.12 -1.26 0.22 118.70 123.60 1iqe s GLU 21 Ca 0.17 1.18 -0.29 0.00 0.36 0.00 0.00 54.97 56.39 1iqe s GLU 21 Cb -0.01 -3.50 -0.05 0.00 0.26 0.00 0.00 34.13 30.84 1iqe s GLU 21 CO 0.04 -0.13 1.70 0.00 -0.54 0.00 0.00 175.26 176.33 1iqe n LYS 23 N 7.48 -0.26 -1.81 0.00 4.76 -1.26 -4.86 118.16 122.21 1iqe n LYS 23 Ca 0.19 -0.70 -0.43 0.00 -2.87 0.00 0.00 58.31 54.51 1iqe n LYS 23 Cb 0.44 -0.39 -0.03 0.00 -1.84 0.00 0.00 35.03 33.21 1iqe n LYS 23 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1iqe s ASP 24 N -2.50 6.12 0.00 4.39 3.68 -1.26 -2.96 116.67 124.14 1iqe s ASP 24 Ca 0.23 2.06 0.00 0.00 2.13 0.00 0.00 52.55 56.97 1iqe s ASP 24 Cb -0.01 -2.52 0.00 0.00 -1.45 0.00 0.00 42.92 38.94 1iqe s ASP 24 CO 0.16 -1.41 0.00 0.61 0.13 0.00 0.00 175.17 174.67 1iqe n GLY 25 N 4.95 2.10 0.28 2.66 0.00 -1.26 -4.96 105.19 108.97 1iqe n GLY 25 Ca 0.23 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 1iqe n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1iqe h GLU 26 N 2.67 0.98 -0.76 1.61 5.08 -1.90 -3.35 114.58 118.92 1iqe h GLU 26 Ca 0.00 -0.33 -0.53 0.00 -1.00 0.00 0.00 59.36 57.50 1iqe h GLU 26 Cb 0.00 -0.08 -0.33 0.00 0.50 0.00 0.00 28.75 28.84 1iqe h GLU 26 CO 0.00 1.01 -0.18 0.00 -1.00 0.00 0.00 179.01 178.84 1iqe n PRO 28 N -0.84 -0.05 0.20 0.00 -0.04 -1.26 -0.42 135.00 132.59 1iqe n PRO 28 Ca 0.48 1.30 0.14 0.00 -0.04 0.00 0.00 63.50 65.39 1iqe n PRO 28 Cb 0.89 -2.43 0.61 0.00 -0.04 0.00 0.00 33.50 32.52 1iqe n PRO 28 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 1iqe h TRP 29 N 0.00 0.00 -2.50 0.54 0.09 -1.84 -3.06 115.95 109.18 1iqe h TRP 29 Ca 0.85 0.00 -0.60 0.00 0.09 0.00 0.00 58.89 59.23 1iqe h TRP 29 Cb 2.46 0.00 0.15 0.00 0.08 0.00 0.00 29.16 31.86 1iqe h TRP 29 CO -0.01 0.00 -0.43 0.94 0.09 0.00 0.00 178.44 179.03 1iqe n GLN 30 N -2.58 0.54 -3.72 0.12 -0.06 0.44 -1.57 117.38 110.55 1iqe n GLN 30 Ca 0.01 0.20 -0.12 0.00 -2.00 0.00 0.00 57.00 55.09 1iqe n GLN 30 Cb 0.23 -1.54 -0.10 0.00 -4.06 0.00 0.00 30.24 24.77 1iqe n GLN 30 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1iqe s ALA 31 N -1.57 -1.03 -0.12 1.69 0.00 -0.84 -4.61 121.76 115.29 1iqe s ALA 31 Ca 0.64 1.32 0.03 0.00 0.00 0.00 0.00 51.96 53.95 1iqe s ALA 31 Cb -0.55 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 21.78 1iqe s ALA 31 CO 0.58 -0.23 -0.21 -1.17 0.00 0.00 0.00 175.76 174.73 1iqe s LEU 32 N 0.74 2.22 -0.09 0.00 2.96 -1.10 -0.17 118.68 123.24 1iqe s LEU 32 Ca -0.04 -0.53 -0.18 0.00 -0.22 0.00 0.00 54.13 53.16 1iqe s LEU 32 Cb -0.05 -1.46 -0.05 0.00 0.50 0.00 0.00 46.19 45.13 1iqe s LEU 32 CO -0.05 0.13 0.49 -0.76 -1.32 0.00 0.00 176.35 174.84 1iqe s LEU 33 N 0.50 4.32 0.03 -0.68 1.43 -0.07 0.49 118.68 124.70 1iqe s LEU 33 Ca -0.14 0.89 0.09 0.00 -1.03 0.00 0.00 54.13 53.94 1iqe s LEU 33 Cb -0.17 -2.72 -0.03 0.00 0.03 0.00 0.00 46.19 43.30 1iqe s LEU 33 CO 0.05 0.05 -0.26 0.27 0.23 0.00 0.00 176.35 176.70 1iqe s ILE 34 N 0.31 2.06 0.55 -0.59 -4.36 -0.15 -2.37 121.20 116.64 1iqe s ILE 34 Ca 0.27 -1.31 0.01 0.00 -0.26 0.00 0.00 60.65 59.36 1iqe s ILE 34 Cb -0.16 -1.75 0.03 0.00 1.25 0.00 0.00 42.46 41.83 1iqe s ILE 34 CO 0.12 0.38 0.77 0.54 0.24 0.00 0.00 174.94 176.99 1iqe s ASN 35 N -1.12 5.31 0.24 4.36 4.22 -0.57 -1.33 114.94 126.05 1iqe s ASN 35 Ca 0.11 0.02 0.07 0.00 -2.14 0.00 0.00 52.86 50.92 1iqe s ASN 35 Cb -0.10 -0.93 0.71 0.00 1.28 0.00 0.00 41.25 42.21 1iqe s ASN 35 CO 0.01 -1.12 1.10 -1.84 -2.04 0.00 0.00 177.10 173.21 1iqe n GLU 36 N -2.34 -0.05 0.00 3.55 0.00 -1.19 0.41 120.64 121.02 1iqe n GLU 36 Ca 0.07 1.01 0.00 0.00 0.00 0.00 0.00 57.16 58.25 1iqe n GLU 36 Cb 0.60 -1.70 0.00 0.00 0.00 0.00 0.00 31.44 30.34 1iqe n GLU 36 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1iqe n GLU 37 N -4.79 0.95 -3.72 3.44 1.02 -1.26 -4.84 120.64 111.43 1iqe n GLU 37 Ca 0.21 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 57.10 1iqe n GLU 37 Cb 0.69 -1.14 0.05 0.00 -0.02 0.00 0.00 31.44 31.03 1iqe n GLU 37 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1iqe n ASN 38 N -0.35 -4.33 -4.57 1.62 4.13 1.37 -4.98 115.26 108.15 1iqe n ASN 38 Ca 0.00 -0.69 -0.34 0.00 1.68 0.00 0.00 54.58 55.23 1iqe n ASN 38 Cb 0.07 -4.42 -0.11 0.00 -1.54 0.00 0.00 39.78 33.78 1iqe n ASN 38 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1iqe s GLU 39 N -6.27 3.24 -0.45 3.52 2.02 -1.19 -4.82 118.70 114.75 1iqe s GLU 39 Ca 0.44 -0.50 -0.29 0.00 0.02 0.00 0.00 54.97 54.65 1iqe s GLU 39 Cb -0.21 -2.79 0.03 0.00 0.10 0.00 0.00 34.13 31.25 1iqe s GLU 39 CO 0.78 0.48 1.15 0.20 0.02 0.00 0.00 175.26 177.89 1iqe s GLY 40 N -0.29 1.32 -0.09 -1.39 0.00 -1.26 -1.51 107.32 104.11 1iqe s GLY 40 Ca 0.05 -0.38 0.07 0.00 0.00 0.00 0.00 44.72 44.46 1iqe s GLY 40 CO 0.02 2.42 0.02 1.97 0.00 0.00 0.00 173.10 177.53 1iqe n PHE 41 N 7.76 0.00 -4.17 1.90 1.16 -1.00 -4.97 117.46 118.14 1iqe n PHE 41 Ca 0.12 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.60 1iqe n PHE 41 Cb 0.49 -0.43 -0.10 0.00 -1.61 0.00 0.00 39.48 37.83 1iqe n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1iqe n GLY 43 N -0.07 1.43 3.61 0.00 0.00 0.49 -0.89 105.19 109.75 1iqe n GLY 43 Ca -0.10 -2.08 -0.00 0.00 0.00 0.00 0.00 46.02 43.83 1iqe n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iqe s GLY 44 N -2.99 -0.37 -0.04 -0.02 0.00 0.76 -3.60 107.32 101.06 1iqe s GLY 44 Ca 0.20 1.09 0.04 0.00 0.00 0.00 0.00 44.72 46.04 1iqe s GLY 44 CO 0.13 0.29 -0.16 -1.59 0.00 0.00 0.00 173.10 171.77 1iqe s THR 45 N -2.36 1.32 -0.19 0.90 2.01 0.48 -1.99 115.64 115.82 1iqe s THR 45 Ca 0.13 -0.65 -0.29 0.00 0.31 0.00 0.00 61.69 61.19 1iqe s THR 45 Cb 0.03 -1.15 0.00 0.00 0.01 0.00 0.00 72.50 71.39 1iqe s THR 45 CO -0.04 0.39 1.02 -0.63 -0.69 0.00 0.00 174.62 174.66 1iqe s ILE 46 N 0.13 4.72 -0.28 1.82 1.01 -0.61 0.12 121.20 128.12 1iqe s ILE 46 Ca -0.05 2.01 -0.11 0.00 0.00 0.00 0.00 60.65 62.50 1iqe s ILE 46 Cb -0.12 -4.30 -0.13 0.00 0.01 0.00 0.00 42.46 37.92 1iqe s ILE 46 CO 0.02 -0.11 -0.33 0.18 0.00 0.00 0.00 174.94 174.70 1iqe n LEU 47 N 5.86 2.18 0.00 2.97 4.77 -0.57 -1.73 117.00 130.48 1iqe n LEU 47 Ca 0.11 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1iqe n LEU 47 Cb 0.47 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1iqe n LEU 47 CO 0.52 0.66 0.00 -1.54 -1.33 0.00 0.00 177.39 175.70 1iqe n SER 48 N -4.04 0.61 0.03 -1.43 3.41 -1.20 -4.52 113.62 106.49 1iqe n SER 48 Ca -0.53 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 57.88 1iqe n SER 48 Cb 0.91 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.72 1iqe n SER 48 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1iqe h GLU 49 N 0.00 0.27 -0.09 4.33 5.08 -1.99 -3.38 114.58 118.80 1iqe h GLU 49 Ca 0.00 -0.47 -0.05 0.00 -1.00 0.00 0.00 59.36 57.85 1iqe h GLU 49 Cb 0.00 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1iqe h GLU 49 CO 0.00 1.22 -0.37 1.19 -1.00 0.00 0.00 179.01 180.05 1iqe n PHE 50 N -4.07 0.28 -3.79 4.33 0.99 -1.26 -0.22 117.46 113.72 1iqe n PHE 50 Ca -0.18 -1.50 -0.24 0.00 -0.00 0.00 0.00 57.45 55.54 1iqe n PHE 50 Cb 0.84 -0.31 -0.17 0.00 -1.00 0.00 0.00 39.48 38.84 1iqe n PHE 50 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.76 177.47 1iqe s TYR 51 N -3.22 0.80 -0.10 1.38 2.02 -1.25 -0.69 117.35 116.29 1iqe s TYR 51 Ca 0.39 -0.28 0.02 0.00 -0.37 0.00 0.00 57.07 56.83 1iqe s TYR 51 Cb 0.38 -0.87 -0.02 0.00 -0.40 0.00 0.00 41.96 41.05 1iqe s TYR 51 CO -0.05 -0.37 -0.14 0.42 -1.57 0.00 0.00 175.55 173.85 1iqe s ILE 52 N 1.93 3.02 -0.14 2.71 -1.09 0.16 -1.52 121.20 126.28 1iqe s ILE 52 Ca 0.05 -0.70 -0.13 0.00 -2.23 0.00 0.00 60.65 57.64 1iqe s ILE 52 Cb -0.12 -2.23 -0.05 0.00 -1.58 0.00 0.00 42.46 38.48 1iqe s ILE 52 CO -0.06 0.55 0.28 -0.22 -1.23 0.00 0.00 174.94 174.27 1iqe s LEU 53 N -0.08 4.28 0.27 2.97 2.96 0.32 0.71 118.68 130.11 1iqe s LEU 53 Ca -0.02 0.54 -0.09 0.00 -0.22 0.00 0.00 54.13 54.34 1iqe s LEU 53 Cb -0.14 -2.36 -0.00 0.00 0.50 0.00 0.00 46.19 44.19 1iqe s LEU 53 CO 0.04 0.16 0.45 0.28 -1.32 0.00 0.00 176.35 175.95 1iqe s THR 54 N 0.14 0.00 0.85 3.68 -1.32 -0.11 0.18 115.64 119.07 1iqe s THR 54 Ca 0.17 -1.52 -0.11 0.00 -1.21 0.00 0.00 61.69 59.02 1iqe s THR 54 Cb -0.13 -2.39 0.10 0.00 -1.51 0.00 0.00 72.50 68.57 1iqe s THR 54 CO 0.05 0.00 1.09 0.00 -2.21 0.00 0.00 174.62 173.55 1iqe s ALA 55 N -3.69 1.78 -0.06 11.08 0.00 -1.21 -0.31 121.76 129.34 1iqe s ALA 55 Ca 0.26 0.08 0.13 0.00 0.00 0.00 0.00 51.96 52.44 1iqe s ALA 55 Cb 0.00 -3.23 -0.12 0.00 0.00 0.00 0.00 23.12 19.77 1iqe s ALA 55 CO 0.13 -2.17 1.03 0.00 0.00 0.00 0.00 175.76 174.75 1iqe h ALA 56 N -1.42 0.62 0.00 0.00 0.00 -1.75 -3.31 119.26 113.40 1iqe h ALA 56 Ca -0.47 -0.90 -0.11 0.00 0.00 0.00 0.00 54.91 53.44 1iqe h ALA 56 Cb 1.26 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1iqe h ALA 56 CO 0.53 1.06 -0.50 1.12 0.00 0.00 0.00 179.25 181.45 1iqe h HIS 57 N 0.00 0.00 0.00 0.00 2.07 -1.92 -3.13 115.15 112.17 1iqe h HIS 57 Ca -0.12 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.40 1iqe h HIS 57 Cb 1.66 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.64 1iqe h HIS 57 CO 0.00 0.50 0.00 0.00 -3.07 0.00 0.00 177.93 175.36 1iqe n LEU 59 N -1.42 3.28 0.00 0.00 4.77 -1.18 -3.54 117.00 118.91 1iqe n LEU 59 Ca 0.02 -1.66 0.00 0.00 -0.03 0.00 0.00 56.01 54.34 1iqe n LEU 59 Cb 0.06 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1iqe n LEU 59 CO 0.05 0.48 -0.44 -1.22 -1.33 0.00 0.00 177.39 174.92 1iqe n TYR 60 N 0.43 0.00 0.44 -1.77 4.01 -0.17 -4.73 117.16 115.37 1iqe n TYR 60 Ca 0.15 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.90 1iqe n TYR 60 Cb 0.67 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.74 1iqe n TYR 60 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1iqe n GLN 61 N -1.91 0.22 -3.68 -0.72 -0.06 -1.23 -4.76 117.38 105.25 1iqe n GLN 61 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 57.00 54.96 1iqe n GLN 61 Cb 0.44 -1.09 -0.01 0.00 -4.06 0.00 0.00 30.24 25.52 1iqe n GLN 61 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1iqe s ALA 61 N -2.00 -1.77 -0.23 1.69 0.00 -1.26 -5.06 121.76 113.13 1iqe s ALA 61 Ca 0.02 0.42 -0.07 0.00 0.00 0.00 0.00 51.96 52.32 1iqe s ALA 61 Cb 0.01 0.54 -0.18 0.00 0.00 0.00 0.00 23.12 23.49 1iqe s ALA 61 CO 0.01 -0.96 -0.07 1.63 0.00 0.00 0.00 175.76 176.38 1iqe n LYS 62 N -0.41 0.65 -3.74 0.00 5.02 -1.26 -4.96 118.16 113.44 1iqe n LYS 62 Ca -0.07 0.27 -0.14 0.00 -2.02 0.00 0.00 58.31 56.35 1iqe n LYS 62 Cb 0.61 -1.59 -0.14 0.00 -0.02 0.00 0.00 35.03 33.89 1iqe n LYS 62 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1iqe s ARG 63 N -2.50 0.10 0.05 1.97 3.52 -1.26 -5.14 118.95 115.69 1iqe s ARG 63 Ca -0.32 0.38 -0.07 0.00 -0.13 0.00 0.00 55.73 55.59 1iqe s ARG 63 Cb 0.10 -0.18 -0.01 0.00 -1.56 0.00 0.00 34.95 33.30 1iqe s ARG 63 CO 0.61 -0.17 0.13 -0.59 -0.81 0.00 0.00 175.30 174.47 1iqe s PHE 64 N 1.20 0.17 0.48 5.12 -0.71 -1.26 -3.20 117.98 119.79 1iqe s PHE 64 Ca -0.09 -0.50 0.04 0.00 -1.04 0.00 0.00 56.93 55.34 1iqe s PHE 64 Cb -0.12 -0.11 -0.02 0.00 -1.21 0.00 0.00 43.02 41.56 1iqe s PHE 64 CO -0.06 -0.42 0.14 0.15 -1.34 0.00 0.00 175.22 173.68 1iqe s LYS 65 N -2.96 2.18 -0.06 1.99 -0.14 -0.44 -4.37 119.74 115.94 1iqe s LYS 65 Ca -0.02 -2.14 0.03 0.00 -1.36 0.00 0.00 55.97 52.48 1iqe s LYS 65 Cb 0.01 -1.78 0.01 0.00 -1.68 0.00 0.00 37.83 34.38 1iqe s LYS 65 CO -0.06 -0.31 -0.13 0.14 -0.76 0.00 0.00 175.35 174.23 1iqe s VAL 66 N -2.76 1.16 0.22 3.17 -7.23 -0.27 -0.98 120.40 113.71 1iqe s VAL 66 Ca 0.25 -0.51 0.04 0.00 -1.81 0.00 0.00 61.98 59.95 1iqe s VAL 66 Cb 0.03 -1.05 -0.03 0.00 0.56 0.00 0.00 36.38 35.89 1iqe s VAL 66 CO 0.14 0.36 0.34 -0.60 -0.31 0.00 0.00 175.10 175.03 1iqe s ARG 67 N 0.52 3.44 0.02 4.82 3.52 0.18 -0.83 118.95 130.61 1iqe s ARG 67 Ca -0.12 -0.73 -0.02 0.00 -0.13 0.00 0.00 55.73 54.73 1iqe s ARG 67 Cb -0.15 -2.90 -0.01 0.00 -1.56 0.00 0.00 34.95 30.33 1iqe s ARG 67 CO 0.03 0.45 0.02 0.14 -0.81 0.00 0.00 175.30 175.13 1iqe s VAL 68 N -1.93 0.11 -1.25 7.11 -7.23 0.07 -2.73 120.40 114.55 1iqe s VAL 68 Ca 0.34 -0.89 -0.08 0.00 -1.81 0.00 0.00 61.98 59.55 1iqe s VAL 68 Cb -0.09 -0.38 0.01 0.00 0.56 0.00 0.00 36.38 36.48 1iqe s VAL 68 CO 0.29 -0.49 1.09 0.61 -0.31 0.00 0.00 175.10 176.29 1iqe n GLY 69 N 1.47 -0.43 3.16 2.32 0.00 -1.24 -2.14 105.19 108.34 1iqe n GLY 69 Ca -0.23 0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 1iqe n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iqe s ASP 70 N -3.38 2.91 0.00 1.61 2.15 -1.26 -3.65 116.67 115.05 1iqe s ASP 70 Ca 0.50 -0.54 0.03 0.00 0.43 0.00 0.00 52.55 52.97 1iqe s ASP 70 Cb -0.22 -1.34 0.02 0.00 -0.30 0.00 0.00 42.92 41.08 1iqe s ASP 70 CO 0.68 0.09 0.51 0.54 -0.17 0.00 0.00 175.17 176.83 1iqe n ARG 71 N 3.89 0.76 -3.61 4.34 1.74 -1.26 -4.82 116.66 117.69 1iqe n ARG 71 Ca -0.20 -0.57 -0.17 0.00 -0.77 0.00 0.00 57.85 56.15 1iqe n ARG 71 Cb 0.52 -0.98 -0.14 0.00 -1.02 0.00 0.00 32.46 30.84 1iqe n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1iqe s ASN 72 N -0.48 0.87 0.00 0.55 3.84 -1.25 -1.43 114.94 117.04 1iqe s ASN 72 Ca 0.03 0.21 0.01 0.00 0.21 0.00 0.00 52.86 53.33 1iqe s ASN 72 Cb 0.03 0.42 0.09 0.00 -0.55 0.00 0.00 41.25 41.23 1iqe s ASN 72 CO 0.06 -0.27 0.74 0.41 -2.79 0.00 0.00 177.10 175.25 1iqe n THR 73 N 5.33 0.00 0.02 -5.21 -1.04 -0.35 -3.90 114.28 109.13 1iqe n THR 73 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1iqe n THR 73 Cb 0.50 -0.20 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 1iqe n THR 73 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1iqe n GLU 74 N -0.53 0.00 -2.51 -2.82 1.02 -1.26 -5.05 120.64 109.49 1iqe n GLU 74 Ca 0.01 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.72 1iqe n GLU 74 Cb 0.00 -0.20 -0.02 0.00 -0.02 0.00 0.00 31.44 31.20 1iqe n GLU 74 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1iqe s GLN 75 N -2.00 4.29 -1.27 3.49 1.11 -1.25 -4.96 119.66 119.07 1iqe s GLN 75 Ca 0.00 1.57 -0.19 0.00 0.01 0.00 0.00 55.36 56.76 1iqe s GLN 75 Cb 0.00 -3.66 0.07 0.00 -1.01 0.00 0.00 33.01 28.41 1iqe s GLN 75 CO 0.00 -0.58 1.70 -2.00 0.01 0.00 0.00 175.29 174.42 1iqe s GLU 76 N 2.94 3.95 0.00 2.91 2.56 -1.26 -4.66 118.70 125.13 1iqe s GLU 76 Ca 0.52 -1.91 0.00 0.00 0.00 0.00 0.00 54.97 53.58 1iqe s GLU 76 Cb -0.21 -5.51 0.00 0.00 2.00 0.00 0.00 34.13 30.41 1iqe s GLU 76 CO 0.15 -2.25 0.52 -0.85 -0.56 0.00 0.00 175.26 172.28 1iqe n GLU 77 N 8.42 0.42 0.00 4.30 0.28 -1.26 -4.82 120.64 127.98 1iqe n GLU 77 Ca 0.47 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.47 1iqe n GLU 77 Cb 0.47 -1.29 0.00 0.00 1.43 0.00 0.00 31.44 32.04 1iqe n GLU 77 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1iqe n GLY 78 N 1.05 0.29 0.66 -1.84 0.00 -1.26 -4.57 105.19 99.51 1iqe n GLY 78 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1iqe n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqe n GLY 79 N 0.00 1.38 3.94 -0.02 0.00 -1.26 -4.87 105.19 104.36 1iqe n GLY 79 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1iqe n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iqe s GLU 80 N -0.64 1.69 -0.30 1.61 8.01 -1.24 -4.52 118.70 123.31 1iqe s GLU 80 Ca 0.00 -0.46 -0.20 0.00 0.01 0.00 0.00 54.97 54.32 1iqe s GLU 80 Cb 0.00 -2.11 0.19 0.00 -4.31 0.00 0.00 34.13 27.90 1iqe s GLU 80 CO 0.00 -1.59 1.28 0.00 0.01 0.00 0.00 175.26 174.96 1iqe s ALA 81 N -3.40 -2.41 -0.07 5.21 0.00 -0.91 -4.98 121.76 115.21 1iqe s ALA 81 Ca 0.65 1.88 -0.01 0.00 0.00 0.00 0.00 51.96 54.49 1iqe s ALA 81 Cb -0.08 -1.84 -0.03 0.00 0.00 0.00 0.00 23.12 21.17 1iqe s ALA 81 CO 0.47 -0.23 -0.01 0.08 0.00 0.00 0.00 175.76 176.07 1iqe s VAL 82 N 0.63 4.17 -0.00 0.00 1.01 -1.26 -0.75 120.40 124.19 1iqe s VAL 82 Ca -0.01 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.66 1iqe s VAL 82 Cb -0.04 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 1iqe s VAL 82 CO -0.12 0.56 -0.15 -1.00 0.00 0.00 0.00 175.10 174.39 1iqe s HIS 83 N -0.91 1.37 0.40 5.22 3.76 -0.01 -5.00 115.29 120.11 1iqe s HIS 83 Ca 0.14 -0.27 -0.05 0.00 -0.15 0.00 0.00 55.06 54.73 1iqe s HIS 83 Cb -0.11 -0.87 -0.04 0.00 1.11 0.00 0.00 32.58 32.66 1iqe s HIS 83 CO 0.04 -0.01 0.68 -1.21 -0.85 0.00 0.00 174.74 173.39 1iqe s GLU 84 N -0.46 3.60 -0.18 1.40 2.02 -1.26 -1.12 118.70 122.70 1iqe s GLU 84 Ca 0.06 0.10 -0.17 0.00 0.02 0.00 0.00 54.97 54.98 1iqe s GLU 84 Cb -0.06 -2.50 -0.04 0.00 0.10 0.00 0.00 34.13 31.63 1iqe s GLU 84 CO -0.00 -0.01 0.43 0.08 0.02 0.00 0.00 175.26 175.78 1iqe s VAL 85 N -2.44 5.19 -0.10 2.63 1.01 -1.26 -1.45 120.40 123.97 1iqe s VAL 85 Ca 0.46 0.79 0.16 0.00 0.00 0.00 0.00 61.98 63.38 1iqe s VAL 85 Cb -0.10 -3.76 -0.21 0.00 0.00 0.00 0.00 36.38 32.31 1iqe s VAL 85 CO 0.37 0.26 0.57 1.21 0.00 0.00 0.00 175.10 177.51 1iqe n GLU 86 N 4.34 0.64 -3.54 2.72 0.00 0.04 -4.72 120.64 120.12 1iqe n GLU 86 Ca -0.08 0.18 -0.16 0.00 0.00 0.00 0.00 57.16 57.11 1iqe n GLU 86 Cb 0.51 -1.72 -0.06 0.00 0.00 0.00 0.00 31.44 30.17 1iqe n GLU 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1iqe s VAL 87 N -2.72 0.00 -0.13 6.31 0.11 -1.08 -4.98 120.40 117.91 1iqe s VAL 87 Ca -0.05 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.01 1iqe s VAL 87 Cb 0.08 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.95 1iqe s VAL 87 CO 0.83 0.00 -0.18 0.54 -3.33 0.00 0.00 175.10 172.96 1iqe s VAL 88 N -1.16 1.76 -0.63 2.04 0.11 -1.26 -2.51 120.40 118.75 1iqe s VAL 88 Ca -0.08 -0.78 -0.07 0.00 -2.93 0.00 0.00 61.98 58.11 1iqe s VAL 88 Cb -0.00 -1.59 0.16 0.00 -1.53 0.00 0.00 36.38 33.42 1iqe s VAL 88 CO 0.08 0.49 0.49 -0.63 -3.33 0.00 0.00 175.10 172.20 1iqe s ILE 89 N 1.04 4.28 -0.06 7.04 1.01 -0.60 -5.03 121.20 128.88 1iqe s ILE 89 Ca -0.04 -2.53 -0.11 0.00 0.00 0.00 0.00 60.65 57.97 1iqe s ILE 89 Cb -0.15 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 1iqe s ILE 89 CO -0.04 -0.88 0.28 -0.75 0.00 0.00 0.00 174.94 173.54 1iqe s LYS 90 N 0.37 3.71 -0.12 2.79 2.20 -1.26 -0.98 119.74 126.45 1iqe s LYS 90 Ca 0.14 0.15 -0.29 0.00 -0.36 0.00 0.00 55.97 55.61 1iqe s LYS 90 Cb -0.19 -3.21 -0.05 0.00 -1.51 0.00 0.00 37.83 32.87 1iqe s LYS 90 CO -0.04 0.71 1.70 -1.58 -0.36 0.00 0.00 175.35 175.78 1iqe s HIS 91 N -0.99 1.92 0.22 4.03 5.65 -1.01 -4.92 115.29 120.18 1iqe s HIS 91 Ca 0.19 0.29 -0.08 0.00 0.25 0.00 0.00 55.06 55.72 1iqe s HIS 91 Cb -0.14 -3.96 0.33 0.00 -1.18 0.00 0.00 32.58 27.62 1iqe s HIS 91 CO 0.09 -3.67 1.74 -0.91 -0.65 0.00 0.00 174.74 171.34 1iqe h ASN 92 N 10.42 0.23 0.00 9.88 4.21 -1.92 -1.91 115.58 136.49 1iqe h ASN 92 Ca -0.38 0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.22 1iqe h ASN 92 Cb 1.18 0.07 0.00 0.00 -1.12 0.00 0.00 38.32 38.45 1iqe h ASN 92 CO 0.97 0.12 0.00 0.54 -1.29 0.00 0.00 177.43 177.77 1iqe n ARG 93 N -5.00 0.55 -3.43 0.81 5.12 -1.26 -4.79 116.66 108.65 1iqe n ARG 93 Ca 0.10 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.73 1iqe n ARG 93 Cb 0.31 -1.26 -0.03 0.00 -1.16 0.00 0.00 32.46 30.32 1iqe n ARG 93 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1iqe s PHE 94 N -0.66 3.47 -0.26 -1.55 5.36 -0.72 -4.54 117.98 119.07 1iqe s PHE 94 Ca 0.00 0.59 -0.27 0.00 -0.96 0.00 0.00 56.93 56.30 1iqe s PHE 94 Cb 0.00 -2.06 0.15 0.00 -0.34 0.00 0.00 43.02 40.77 1iqe s PHE 94 CO 0.00 0.23 1.19 0.95 -1.46 0.00 0.00 175.22 176.14 1iqe s THR 95 N -2.00 0.00 -0.64 0.12 -4.23 -1.26 -5.03 115.64 102.60 1iqe s THR 95 Ca 0.43 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 61.20 1iqe s THR 95 Cb -0.11 -1.00 0.29 0.00 1.34 0.00 0.00 72.50 73.02 1iqe s THR 95 CO 0.29 0.00 1.76 0.07 -0.54 0.00 0.00 174.62 176.20 1iqe h LYS 96 N 3.19 0.00 -0.78 3.99 -0.00 -1.96 0.51 116.57 121.52 1iqe h LYS 96 Ca -0.22 0.00 0.05 0.00 -0.00 0.00 0.00 60.65 60.47 1iqe h LYS 96 Cb 1.18 0.00 -0.05 0.00 -0.00 0.00 0.00 32.23 33.36 1iqe h LYS 96 CO 0.19 0.00 0.48 0.93 -0.00 0.00 0.00 179.45 181.05 1iqe h GLU 97 N 0.00 0.88 0.00 0.07 4.39 -1.99 -3.32 114.58 114.60 1iqe h GLU 97 Ca 0.00 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 1iqe h GLU 97 Cb 0.68 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1iqe h GLU 97 CO 0.00 0.58 -1.24 0.25 -1.16 0.00 0.00 179.01 177.44 1iqe n THR 98 N -4.65 0.20 -1.27 1.13 -2.24 -1.18 -5.02 114.28 101.25 1iqe n THR 98 Ca 0.10 -0.14 -0.09 0.00 -2.27 0.00 0.00 64.05 61.65 1iqe n THR 98 Cb 0.13 -0.59 -0.04 0.00 -2.10 0.00 0.00 70.33 67.73 1iqe n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1iqe n TYR 99 N -2.02 -0.01 -2.96 4.78 4.01 0.18 -4.96 117.16 116.18 1iqe n TYR 99 Ca -0.05 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.29 1iqe n TYR 99 Cb 0.50 -1.73 -0.05 0.00 -0.31 0.00 0.00 39.34 37.74 1iqe n TYR 99 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1iqe s ASP 100 N -2.90 7.32 -0.35 7.72 -1.08 -1.25 -3.89 116.67 122.23 1iqe s ASP 100 Ca 0.00 1.57 -0.01 0.00 -0.52 0.00 0.00 52.55 53.58 1iqe s ASP 100 Cb 0.00 -2.49 0.00 0.00 -1.46 0.00 0.00 42.92 38.97 1iqe s ASP 100 CO 0.00 0.10 0.30 0.49 0.52 0.00 0.00 175.17 176.58 1iqe n PHE 101 N 2.26 -0.72 -2.68 -5.34 3.01 -1.26 -4.01 117.46 108.72 1iqe n PHE 101 Ca -0.03 0.27 -0.43 0.00 1.01 0.00 0.00 57.45 58.27 1iqe n PHE 101 Cb 0.49 -2.40 -0.01 0.00 -0.01 0.00 0.00 39.48 37.56 1iqe n PHE 101 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1iqe s ASP 102 N -3.20 6.81 -0.24 4.37 2.15 -1.25 -4.53 116.67 120.77 1iqe s ASP 102 Ca 0.10 -2.34 -0.17 0.00 0.43 0.00 0.00 52.55 50.57 1iqe s ASP 102 Cb -0.04 -2.52 0.07 0.00 -0.30 0.00 0.00 42.92 40.12 1iqe s ASP 102 CO 0.20 -1.14 0.60 -0.51 -0.17 0.00 0.00 175.17 174.15 1iqe s ILE 103 N 3.68 -0.01 -0.07 4.11 2.07 -1.26 -3.96 121.20 125.76 1iqe s ILE 103 Ca 0.48 0.02 -0.06 0.00 -1.41 0.00 0.00 60.65 59.68 1iqe s ILE 103 Cb 0.01 -0.86 0.02 0.00 0.13 0.00 0.00 42.46 41.76 1iqe s ILE 103 CO 0.01 0.01 0.19 0.00 -1.91 0.00 0.00 174.94 173.24 1iqe s ALA 104 N 1.07 -0.45 -0.17 1.50 0.00 0.57 -2.41 121.76 121.87 1iqe s ALA 104 Ca -0.06 0.56 -0.04 0.00 0.00 0.00 0.00 51.96 52.42 1iqe s ALA 104 Cb -0.05 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 1iqe s ALA 104 CO -0.10 -0.10 -0.02 0.08 0.00 0.00 0.00 175.76 175.62 1iqe s VAL 105 N 0.23 3.99 -0.11 0.00 1.01 -0.15 -0.93 120.40 124.44 1iqe s VAL 105 Ca -0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1iqe s VAL 105 Cb -0.02 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 1iqe s VAL 105 CO -0.01 0.48 -0.06 -0.76 0.00 0.00 0.00 175.10 174.75 1iqe s LEU 106 N 0.50 3.19 -0.26 3.92 1.43 0.22 -1.56 118.68 126.12 1iqe s LEU 106 Ca -0.02 -0.08 -0.06 0.00 -1.03 0.00 0.00 54.13 52.94 1iqe s LEU 106 Cb -0.14 -1.73 -0.00 0.00 0.03 0.00 0.00 46.19 44.35 1iqe s LEU 106 CO 0.02 0.27 0.04 -0.60 0.23 0.00 0.00 176.35 176.31 1iqe s ARG 107 N -0.23 3.29 0.33 1.70 3.52 -1.04 0.40 118.95 126.92 1iqe s ARG 107 Ca 0.03 -0.71 -0.27 0.00 -0.13 0.00 0.00 55.73 54.65 1iqe s ARG 107 Cb -0.13 -3.26 -0.09 0.00 -1.56 0.00 0.00 34.95 29.91 1iqe s ARG 107 CO 0.03 -0.32 1.06 -0.51 -0.81 0.00 0.00 175.30 174.75 1iqe s LEU 108 N 1.52 4.38 0.31 -0.88 1.43 0.14 -0.78 118.68 124.79 1iqe s LEU 108 Ca 0.04 2.13 -0.00 0.00 -1.03 0.00 0.00 54.13 55.27 1iqe s LEU 108 Cb -0.16 -3.88 0.49 0.00 0.03 0.00 0.00 46.19 42.68 1iqe s LEU 108 CO 0.01 -0.26 1.91 0.11 0.23 0.00 0.00 176.35 178.35 1iqe h LYS 109 N 3.26 0.87 -5.29 1.70 1.79 -1.54 -3.43 116.57 113.93 1iqe h LYS 109 Ca -0.47 -0.11 -0.48 0.00 -2.18 0.00 0.00 60.65 57.41 1iqe h LYS 109 Cb 1.21 -0.17 -0.29 0.00 -1.58 0.00 0.00 32.23 31.41 1iqe h LYS 109 CO 0.65 0.67 -0.81 0.95 -1.08 0.00 0.00 179.45 179.83 1iqe s THR 110 N -5.51 1.11 0.09 -0.16 -4.23 -1.26 -5.01 115.64 100.68 1iqe s THR 110 Ca -0.10 -0.63 -0.33 0.00 -1.18 0.00 0.00 61.69 59.44 1iqe s THR 110 Cb 0.17 -0.93 -0.12 0.00 1.34 0.00 0.00 72.50 72.95 1iqe s THR 110 CO 0.79 0.29 1.73 -2.65 -0.54 0.00 0.00 174.62 174.23 1iqe n PRO 111 N 2.66 2.34 -1.97 3.99 -0.02 -1.26 -4.85 135.00 135.89 1iqe n PRO 111 Ca -0.14 0.85 -0.42 0.00 -2.02 0.00 0.00 63.50 61.76 1iqe n PRO 111 Cb 0.55 -2.67 -0.03 0.00 -0.02 0.00 0.00 33.50 31.33 1iqe n PRO 111 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1iqe s ILE 112 N 2.17 3.24 -0.22 4.25 1.01 0.69 -4.97 121.20 127.37 1iqe s ILE 112 Ca 0.83 0.59 -0.16 0.00 0.00 0.00 0.00 60.65 61.91 1iqe s ILE 112 Cb -0.63 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 1iqe s ILE 112 CO 0.41 -0.01 0.42 0.42 0.00 0.00 0.00 174.94 176.18 1iqe s THR 113 N 2.97 5.17 0.45 2.92 -4.23 -1.26 -4.79 115.64 116.86 1iqe s THR 113 Ca 0.73 0.73 -0.23 0.00 -1.18 0.00 0.00 61.69 61.74 1iqe s THR 113 Cb -0.37 -3.75 -0.08 0.00 1.34 0.00 0.00 72.50 69.64 1iqe s THR 113 CO 0.31 0.21 1.08 -0.36 -0.54 0.00 0.00 174.62 175.32 1iqe s PHE 114 N 1.61 3.05 0.00 3.99 0.08 -1.26 -5.00 117.98 120.46 1iqe s PHE 114 Ca 0.19 1.59 0.00 0.00 0.12 0.00 0.00 56.93 58.83 1iqe s PHE 114 Cb -0.15 -3.19 0.00 0.00 -0.57 0.00 0.00 43.02 39.10 1iqe s PHE 114 CO 0.09 -0.98 0.00 2.89 -0.10 0.00 0.00 175.22 177.11 1iqe n ARG 115 N -0.48 0.00 -2.26 0.44 1.85 -0.71 -5.03 116.66 110.47 1iqe n ARG 115 Ca 0.07 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.51 1iqe n ARG 115 Cb 0.50 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.88 1iqe n ARG 115 CO 0.00 0.00 0.00 1.41 -0.01 0.00 0.00 177.63 179.03 1iqe s MET 116 N 0.89 4.45 -0.40 2.89 -2.45 -1.26 -2.07 119.30 121.35 1iqe s MET 116 Ca 0.00 2.03 0.00 0.00 -1.25 0.00 0.00 55.69 56.47 1iqe s MET 116 Cb 0.00 -3.15 0.00 0.00 1.25 0.00 0.00 34.83 32.93 1iqe s MET 116 CO 0.00 -0.09 0.00 0.09 1.05 0.00 0.00 175.02 176.07 1iqe n ASN 117 N 1.59 -4.57 -3.14 1.11 4.13 -1.26 -4.93 115.26 108.19 1iqe n ASN 117 Ca 0.02 0.09 -0.16 0.00 1.68 0.00 0.00 54.58 56.22 1iqe n ASN 117 Cb 0.43 -2.41 -0.05 0.00 -1.54 0.00 0.00 39.78 36.21 1iqe n ASN 117 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1iqe s VAL 118 N -1.77 -0.33 0.42 2.41 1.01 -0.88 -3.63 120.40 117.64 1iqe s VAL 118 Ca 0.00 -1.66 0.03 0.00 0.00 0.00 0.00 61.98 60.35 1iqe s VAL 118 Cb 0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 1iqe s VAL 118 CO 0.00 -0.62 0.10 0.00 0.00 0.00 0.00 175.10 174.58 1iqe n ALA 119 N 3.16 0.51 -2.26 5.51 0.00 -1.15 -1.75 120.51 124.54 1iqe n ALA 119 Ca 0.22 -2.04 -0.22 0.00 0.00 0.00 0.00 53.44 51.40 1iqe n ALA 119 Cb 0.51 1.30 -0.03 0.00 0.00 0.00 0.00 19.45 21.22 1iqe n ALA 119 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1iqe s PRO 120 N -3.57 2.47 -0.08 0.00 0.04 -1.26 -3.37 135.00 129.23 1iqe s PRO 120 Ca 0.14 -1.61 -0.02 0.00 0.04 0.00 0.00 61.00 59.55 1iqe s PRO 120 Cb 0.01 -2.31 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 1iqe s PRO 120 CO 0.10 -0.22 0.00 0.00 0.04 0.00 0.00 177.00 176.93 1iqe s ALA 121 N -2.51 3.29 0.40 8.56 0.00 -0.71 -4.73 121.76 126.07 1iqe s ALA 121 Ca 0.47 -0.81 -0.25 0.00 0.00 0.00 0.00 51.96 51.37 1iqe s ALA 121 Cb -0.02 -1.48 -0.08 0.00 0.00 0.00 0.00 23.12 21.53 1iqe s ALA 121 CO 0.27 0.59 1.16 0.00 0.00 0.00 0.00 175.76 177.78 1iqe s LEU 123 N -2.50 4.75 0.80 0.00 2.96 -1.26 -0.42 118.68 123.01 1iqe s LEU 123 Ca 0.57 -0.69 -0.12 0.00 -0.22 0.00 0.00 54.13 53.67 1iqe s LEU 123 Cb -0.30 -2.12 0.07 0.00 0.50 0.00 0.00 46.19 44.34 1iqe s LEU 123 CO 0.38 -0.34 1.17 -2.16 -1.32 0.00 0.00 176.35 174.07 1iqe s PRO 124 N 1.68 2.03 0.17 0.98 0.04 -1.26 -5.00 135.00 133.64 1iqe s PRO 124 Ca 0.05 0.17 -0.29 0.00 0.04 0.00 0.00 61.00 60.97 1iqe s PRO 124 Cb -0.18 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 1iqe s PRO 124 CO 0.09 -1.56 0.90 -2.00 0.04 0.00 0.00 177.00 174.47 1iqe s GLU 124 N -5.53 4.73 0.08 4.56 -6.30 -1.26 -4.95 118.70 110.02 1iqe s GLU 124 Ca 0.62 1.38 -0.19 0.00 -2.50 0.00 0.00 54.97 54.27 1iqe s GLU 124 Cb -0.11 -3.31 -0.06 0.00 0.00 0.00 0.00 34.13 30.64 1iqe s GLU 124 CO 0.50 0.43 1.32 -0.09 0.02 0.00 0.00 175.26 177.43 1iqe h ARG 125 N 4.71 -0.21 0.14 4.30 2.43 -1.96 -1.06 114.38 122.73 1iqe h ARG 125 Ca -0.45 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 58.75 1iqe h ARG 125 Cb 1.20 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.76 1iqe h ARG 125 CO 0.69 -0.14 -0.53 -0.44 -1.51 0.00 0.00 179.97 178.04 1iqe h ASP 126 N -0.22 -1.59 -0.49 -3.80 3.45 -1.97 0.37 116.42 112.18 1iqe h ASP 126 Ca 0.05 0.17 0.11 0.00 0.43 0.00 0.00 57.03 57.78 1iqe h ASP 126 Cb 0.34 0.58 -0.02 0.00 -0.56 0.00 0.00 39.33 39.67 1iqe h ASP 126 CO -0.36 -0.57 0.34 -0.25 -1.57 0.00 0.00 179.24 176.83 1iqe h TRP 127 N -0.77 0.18 -0.12 4.55 7.01 -1.97 -1.84 115.95 122.98 1iqe h TRP 127 Ca -0.01 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 60.92 1iqe h TRP 127 Cb 0.77 -0.06 0.00 0.00 -2.10 0.00 0.00 29.16 27.77 1iqe h TRP 127 CO -0.45 0.09 -0.22 0.00 -2.79 0.00 0.00 178.44 175.07 1iqe h ALA 128 N 1.76 0.19 0.00 2.65 0.00 -0.42 -0.14 119.26 123.31 1iqe h ALA 128 Ca 0.23 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1iqe h ALA 128 Cb 0.68 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1iqe h ALA 128 CO -0.03 0.15 0.00 0.39 0.00 0.00 0.00 179.25 179.76 1iqe n GLU 129 N -4.49 0.12 0.00 0.00 1.02 0.05 -1.80 120.64 115.53 1iqe n GLU 129 Ca -0.07 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1iqe n GLU 129 Cb 0.42 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 1iqe n GLU 129 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1iqe n SER 130 N -1.32 3.37 -0.05 1.62 2.88 -1.09 -4.62 113.62 114.41 1iqe n SER 130 Ca 0.04 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.52 1iqe n SER 130 Cb 0.08 0.62 -0.06 0.00 -0.75 0.00 0.00 64.21 64.11 1iqe n SER 130 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1iqe n THR 131 N -1.09 0.62 -0.04 2.46 -1.04 -0.07 -4.33 114.28 110.80 1iqe n THR 131 Ca 0.00 -0.29 -0.01 0.00 -2.04 0.00 0.00 64.05 61.71 1iqe n THR 131 Cb 0.05 -0.84 -0.00 0.00 -1.82 0.00 0.00 70.33 67.72 1iqe n THR 131 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1iqe h LEU 131 N 0.00 0.00 -2.14 -4.42 4.07 -1.44 -3.33 115.31 108.05 1iqe h LEU 131 Ca -0.24 0.00 0.08 0.00 0.08 0.00 0.00 57.88 57.79 1iqe h LEU 131 Cb 1.45 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.18 1iqe h LEU 131 CO -0.02 0.38 0.25 0.24 -1.08 0.00 0.00 178.44 178.21 1iqe h MET 131 N -0.67 0.00 -0.04 1.13 2.86 -1.65 0.16 114.93 116.72 1iqe h MET 131 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1iqe h MET 131 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1iqe h MET 131 CO 0.00 0.00 0.00 0.25 1.06 0.00 0.00 176.91 178.22 1iqe n THR 132 N -3.95 0.05 -1.59 2.22 -2.24 -1.26 -4.85 114.28 102.67 1iqe n THR 132 Ca 0.03 -0.16 -0.33 0.00 -2.27 0.00 0.00 64.05 61.33 1iqe n THR 132 Cb 0.40 0.05 0.07 0.00 -2.10 0.00 0.00 70.33 68.74 1iqe n THR 132 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1iqe s GLN 133 N -1.95 2.55 0.00 -0.78 2.00 0.55 -4.99 119.66 117.04 1iqe s GLN 133 Ca 0.37 1.40 0.00 0.00 -2.00 0.00 0.00 55.36 55.13 1iqe s GLN 133 Cb 0.19 -1.92 0.00 0.00 0.80 0.00 0.00 33.01 32.08 1iqe s GLN 133 CO 0.30 -1.45 0.86 1.63 -0.50 0.00 0.00 175.29 176.13 1iqe n LYS 134 N -2.72 0.00 -0.83 1.67 4.76 -1.26 -4.60 118.16 115.18 1iqe n LYS 134 Ca 0.11 0.37 -0.01 0.00 -2.87 0.00 0.00 58.31 55.90 1iqe n LYS 134 Cb 0.52 -1.36 0.01 0.00 -1.84 0.00 0.00 35.03 32.35 1iqe n LYS 134 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1iqe n THR 135 N -1.59 0.00 -3.48 -0.18 -2.24 -1.26 -1.41 114.28 104.11 1iqe n THR 135 Ca 0.00 -0.10 -0.09 0.00 -2.27 0.00 0.00 64.05 61.58 1iqe n THR 135 Cb 0.00 -1.26 -0.02 0.00 -2.10 0.00 0.00 70.33 66.95 1iqe n THR 135 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1iqe s GLY 136 N -2.45 -0.51 -0.18 3.38 0.00 -0.77 -4.66 107.32 102.12 1iqe s GLY 136 Ca 0.04 0.82 -0.02 0.00 0.00 0.00 0.00 44.72 45.56 1iqe s GLY 136 CO 0.03 0.27 -0.10 -0.42 0.00 0.00 0.00 173.10 172.88 1iqe s ILE 137 N -3.33 3.05 0.07 0.90 -1.09 0.13 -0.43 121.20 120.51 1iqe s ILE 137 Ca 0.04 -0.62 0.09 0.00 -2.23 0.00 0.00 60.65 57.93 1iqe s ILE 137 Cb -0.01 -2.34 -0.03 0.00 -1.58 0.00 0.00 42.46 38.50 1iqe s ILE 137 CO -0.10 0.48 -0.25 0.54 -1.23 0.00 0.00 174.94 174.38 1iqe s VAL 138 N 1.08 2.01 0.24 2.92 0.11 0.07 0.12 120.40 126.95 1iqe s VAL 138 Ca 0.00 -1.44 -0.15 0.00 -2.93 0.00 0.00 61.98 57.46 1iqe s VAL 138 Cb -0.15 -1.74 0.01 0.00 -1.53 0.00 0.00 36.38 32.97 1iqe s VAL 138 CO -0.02 0.22 0.53 -0.94 -3.33 0.00 0.00 175.10 171.57 1iqe s SER 139 N -1.47 -0.16 0.00 3.54 1.04 -1.15 0.16 113.70 115.67 1iqe s SER 139 Ca 0.11 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.77 1iqe s SER 139 Cb -0.10 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1iqe s SER 139 CO 0.03 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.70 1iqe n GLY 140 N -0.38 -1.84 1.17 7.32 0.00 -0.77 -4.20 105.19 106.49 1iqe n GLY 140 Ca -0.04 -1.18 0.06 0.00 0.00 0.00 0.00 46.02 44.87 1iqe n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1iqe n PHE 141 N 3.65 1.27 -0.06 1.61 3.72 -1.26 -1.75 117.46 124.63 1iqe n PHE 141 Ca 0.00 -0.92 -0.09 0.00 -0.05 0.00 0.00 57.45 56.38 1iqe n PHE 141 Cb 0.00 -0.39 0.09 0.00 -0.94 0.00 0.00 39.48 38.24 1iqe n PHE 141 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1iqe n GLY 142 N -0.33 -3.80 3.79 1.37 0.00 -1.26 -1.31 105.19 103.65 1iqe n GLY 142 Ca 0.25 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.67 1iqe n GLY 142 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iqe s ARG 143 N -3.62 4.23 0.44 1.61 0.52 -1.15 -1.44 118.95 119.54 1iqe s ARG 143 Ca 0.20 1.36 0.22 0.00 -0.52 0.00 0.00 55.73 56.99 1iqe s ARG 143 Cb -0.04 -2.46 0.99 0.00 0.52 0.00 0.00 34.95 33.97 1iqe s ARG 143 CO 0.17 -0.06 1.87 1.15 0.02 0.00 0.00 175.30 178.46 1iqe h THR 144 N 2.14 0.72 -3.42 0.02 2.02 -1.69 -3.16 112.91 109.55 1iqe h THR 144 Ca -0.48 -1.07 -0.04 0.00 0.77 0.00 0.00 66.41 65.58 1iqe h THR 144 Cb 1.20 1.68 -0.11 0.00 -1.74 0.00 0.00 68.15 69.18 1iqe h THR 144 CO 0.62 0.25 -0.05 -2.28 0.37 0.00 0.00 175.52 174.42 1iqe s HIS 145 N -3.86 -0.05 0.00 3.16 5.65 -1.26 -4.07 115.29 114.86 1iqe s HIS 145 Ca -0.01 -0.29 0.00 0.00 0.25 0.00 0.00 55.06 55.01 1iqe s HIS 145 Cb 0.12 0.29 0.00 0.00 -1.18 0.00 0.00 32.58 31.80 1iqe s HIS 145 CO 0.64 -0.83 0.95 -1.91 -0.65 0.00 0.00 174.74 172.95 1iqe n GLU 147 N -0.29 0.00 -2.13 2.88 2.13 -1.26 -2.06 120.64 119.91 1iqe n GLU 147 Ca -0.11 0.95 -0.39 0.00 0.66 0.00 0.00 57.16 58.28 1iqe n GLU 147 Cb 0.63 -1.43 0.03 0.00 0.27 0.00 0.00 31.44 30.94 1iqe n GLU 147 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1iqe n LYS 148 N -2.94 3.31 0.00 5.31 -0.00 -1.26 -4.89 118.16 117.69 1iqe n LYS 148 Ca 0.00 -3.86 0.00 0.00 -0.00 0.00 0.00 58.31 54.45 1iqe n LYS 148 Cb 0.00 -2.30 0.00 0.00 -0.00 0.00 0.00 35.03 32.73 1iqe n LYS 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1iqe n GLY 149 N -0.44 6.02 3.93 2.58 0.00 -0.87 -5.15 105.19 111.25 1iqe n GLY 149 Ca 0.51 -2.00 -0.26 0.00 0.00 0.00 0.00 46.02 44.27 1iqe n GLY 149 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1iqe s ARG 150 N 1.67 3.40 0.82 1.61 1.70 -1.26 -4.90 118.95 121.98 1iqe s ARG 150 Ca 0.00 -0.09 -0.11 0.00 -0.47 0.00 0.00 55.73 55.05 1iqe s ARG 150 Cb 0.00 -2.48 0.08 0.00 -0.57 0.00 0.00 34.95 31.98 1iqe s ARG 150 CO 0.00 -0.15 1.10 -1.14 -1.08 0.00 0.00 175.30 174.03 1iqe s GLN 151 N -4.60 1.93 0.18 3.89 2.00 -1.26 -2.63 119.66 119.16 1iqe s GLN 151 Ca 0.46 0.66 0.01 0.00 -2.00 0.00 0.00 55.36 54.49 1iqe s GLN 151 Cb -0.10 -1.90 -0.04 0.00 0.80 0.00 0.00 33.01 31.77 1iqe s GLN 151 CO 0.41 -1.73 0.35 0.45 -0.50 0.00 0.00 175.29 174.26 1iqe s SER 152 N -3.83 6.36 -0.17 6.67 0.15 -0.43 -4.79 113.70 117.66 1iqe s SER 152 Ca 0.61 0.30 -0.14 0.00 0.70 0.00 0.00 55.95 57.42 1iqe s SER 152 Cb -0.15 -1.96 -0.06 0.00 -1.71 0.00 0.00 66.02 62.14 1iqe s SER 152 CO 0.55 -0.01 -0.23 0.41 1.20 0.00 0.00 173.24 175.16 1iqe n THR 153 N -0.65 1.47 -2.62 6.45 -1.04 -1.26 -4.80 114.28 111.83 1iqe n THR 153 Ca -0.06 0.13 -0.36 0.00 -2.04 0.00 0.00 64.05 61.72 1iqe n THR 153 Cb 0.54 -2.32 -0.05 0.00 -1.82 0.00 0.00 70.33 66.68 1iqe n THR 153 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1iqe s ARG 154 N -2.54 4.25 0.00 -2.82 1.81 -1.26 -1.21 118.95 117.18 1iqe s ARG 154 Ca -0.23 1.43 -0.30 0.00 -1.72 0.00 0.00 55.73 54.91 1iqe s ARG 154 Cb 0.04 -2.54 -0.03 0.00 -0.45 0.00 0.00 34.95 31.96 1iqe s ARG 154 CO 0.35 -0.05 1.04 -1.17 -0.68 0.00 0.00 175.30 174.79 1iqe s LEU 155 N -2.61 4.35 0.31 2.53 2.96 -0.51 -4.82 118.68 120.90 1iqe s LEU 155 Ca 0.57 1.73 0.08 0.00 -0.22 0.00 0.00 54.13 56.30 1iqe s LEU 155 Cb -0.20 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.88 1iqe s LEU 155 CO 0.25 -0.34 0.12 -0.54 -1.32 0.00 0.00 176.35 174.52 1iqe s LYS 156 N 1.18 2.42 -0.02 1.98 1.02 -0.72 -1.63 119.74 123.98 1iqe s LYS 156 Ca 0.53 -1.46 -0.01 0.00 0.02 0.00 0.00 55.97 55.06 1iqe s LYS 156 Cb -0.23 -2.22 0.01 0.00 -0.52 0.00 0.00 37.83 34.87 1iqe s LYS 156 CO 0.27 0.20 0.03 0.00 -0.92 0.00 0.00 175.35 174.93 1iqe s MET 157 N -3.81 0.01 -0.04 1.68 0.23 0.59 -1.85 119.30 116.11 1iqe s MET 157 Ca 0.36 0.10 0.04 0.00 -1.03 0.00 0.00 55.69 55.16 1iqe s MET 157 Cb -0.04 -0.08 0.00 0.00 -1.53 0.00 0.00 34.83 33.18 1iqe s MET 157 CO 0.22 -0.07 -0.15 -1.17 -2.03 0.00 0.00 175.02 171.83 1iqe s LEU 158 N 0.43 1.85 -0.53 0.18 0.20 0.43 0.08 118.68 121.32 1iqe s LEU 158 Ca -0.03 -0.31 -0.25 0.00 0.69 0.00 0.00 54.13 54.22 1iqe s LEU 158 Cb -0.05 -0.87 0.04 0.00 -0.43 0.00 0.00 46.19 44.88 1iqe s LEU 158 CO -0.01 0.12 0.98 -0.70 -0.29 0.00 0.00 176.35 176.44 1iqe s GLU 159 N 0.17 3.41 -0.23 1.98 2.12 -1.26 -0.75 118.70 124.14 1iqe s GLU 159 Ca -0.06 -0.08 -0.06 0.00 0.36 0.00 0.00 54.97 55.13 1iqe s GLU 159 Cb -0.12 -4.02 -0.02 0.00 0.26 0.00 0.00 34.13 30.23 1iqe s GLU 159 CO 0.02 -1.46 0.04 0.14 -0.54 0.00 0.00 175.26 173.46 1iqe s VAL 160 N 4.07 4.10 0.51 3.70 -7.23 0.43 -4.85 120.40 121.14 1iqe s VAL 160 Ca 0.34 -0.25 -0.22 0.00 -1.81 0.00 0.00 61.98 60.04 1iqe s VAL 160 Cb -0.11 -2.90 -0.06 0.00 0.56 0.00 0.00 36.38 33.87 1iqe s VAL 160 CO 0.22 0.38 1.26 -2.84 -0.31 0.00 0.00 175.10 173.81 1iqe s PRO 161 N 1.42 3.41 0.07 4.82 0.02 -1.25 -1.85 135.00 141.64 1iqe s PRO 161 Ca 0.05 2.00 -0.31 0.00 0.02 0.00 0.00 61.00 62.77 1iqe s PRO 161 Cb -0.15 -2.31 -0.07 0.00 0.02 0.00 0.00 34.50 32.00 1iqe s PRO 161 CO 0.02 -0.90 1.37 0.71 -0.33 0.00 0.00 177.00 177.87 1iqe s TYR 162 N -1.43 3.13 -0.21 6.54 2.02 -0.50 -1.30 117.35 125.60 1iqe s TYR 162 Ca 0.68 0.94 -0.08 0.00 -0.37 0.00 0.00 57.07 58.24 1iqe s TYR 162 Cb -0.34 -3.65 -0.04 0.00 -0.40 0.00 0.00 41.96 37.53 1iqe s TYR 162 CO 0.41 -2.29 0.08 0.08 -1.57 0.00 0.00 175.55 172.25 1iqe s VAL 163 N 1.54 4.75 -0.28 0.71 1.01 -1.22 -4.91 120.40 122.01 1iqe s VAL 163 Ca 0.64 -0.04 -0.25 0.00 0.00 0.00 0.00 61.98 62.33 1iqe s VAL 163 Cb -0.34 -3.17 -0.11 0.00 0.00 0.00 0.00 36.38 32.76 1iqe s VAL 163 CO 0.29 0.41 1.09 -0.67 0.00 0.00 0.00 175.10 176.22 1iqe n ASP 164 N 3.98 0.50 -0.38 3.32 2.03 -1.26 -4.51 116.55 120.24 1iqe n ASP 164 Ca -0.16 0.47 0.30 0.00 0.52 0.00 0.00 54.79 55.92 1iqe n ASP 164 Cb 0.52 -0.50 0.59 0.00 -0.72 0.00 0.00 41.12 41.02 1iqe n ASP 164 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1iqe h ARG 165 N 4.25 0.22 0.23 -0.67 9.65 -1.95 -2.03 114.38 124.08 1iqe h ARG 165 Ca -0.12 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.74 1iqe h ARG 165 Cb 0.78 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.31 1iqe h ARG 165 CO 0.58 0.15 -0.11 -0.97 2.80 0.00 0.00 179.97 182.42 1iqe h ASN 166 N 0.23 -0.26 0.00 -3.80 -1.24 -2.02 -3.23 115.58 105.25 1iqe h ASN 166 Ca 0.68 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.66 1iqe h ASN 166 Cb 2.03 0.07 0.00 0.00 0.73 0.00 0.00 38.32 41.15 1iqe h ASN 166 CO -0.30 0.21 0.00 -1.54 -1.29 0.00 0.00 177.43 174.51 1iqe n SER 167 N -4.98 0.00 0.01 1.15 3.41 -0.98 -0.95 113.62 111.28 1iqe n SER 167 Ca -0.04 -0.36 -0.20 0.00 -0.26 0.00 0.00 58.87 58.00 1iqe n SER 167 Cb 0.14 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.95 1iqe n SER 167 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iqe h LYS 169 N -0.43 0.11 0.00 0.00 1.57 -1.14 -2.72 116.57 113.96 1iqe h LYS 169 Ca -0.23 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1iqe h LYS 169 Cb 1.63 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.94 1iqe h LYS 169 CO 0.07 0.51 0.00 1.28 -0.57 0.00 0.00 179.45 180.73 1iqe n LEU 170 N -4.04 0.45 -0.24 2.94 4.77 -1.22 -3.53 117.00 116.14 1iqe n LEU 170 Ca -0.02 0.61 0.24 0.00 -0.03 0.00 0.00 56.01 56.81 1iqe n LEU 170 Cb 0.46 -0.32 0.44 0.00 -2.33 0.00 0.00 43.42 41.67 1iqe n LEU 170 CO 0.40 -0.32 0.78 -1.54 -1.33 0.00 0.00 177.39 175.39 1iqe n SER 171 N -1.45 0.25 -4.80 -1.43 3.41 -1.23 -4.53 113.62 103.85 1iqe n SER 171 Ca 0.00 1.20 -0.34 0.00 -0.26 0.00 0.00 58.87 59.48 1iqe n SER 171 Cb 0.00 -0.59 -0.02 0.00 -0.26 0.00 0.00 64.21 63.34 1iqe n SER 171 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1iqe s SER 172 N -4.63 6.23 0.00 4.04 0.15 -1.03 -4.76 113.70 113.70 1iqe s SER 172 Ca -0.07 1.90 0.24 0.00 0.70 0.00 0.00 55.95 58.73 1iqe s SER 172 Cb 0.25 -2.55 0.28 0.00 -1.71 0.00 0.00 66.02 62.28 1iqe s SER 172 CO 0.57 -0.86 1.31 -1.20 1.20 0.00 0.00 173.24 174.26 1iqe n SER 173 N -1.21 2.83 -4.27 5.45 7.64 -1.26 -4.95 113.62 117.85 1iqe n SER 173 Ca 0.09 -1.94 -0.15 0.00 1.01 0.00 0.00 58.87 57.89 1iqe n SER 173 Cb 0.53 0.01 -0.10 0.00 -1.01 0.00 0.00 64.21 63.63 1iqe n SER 173 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1iqe s PHE 174 N -2.01 1.34 0.32 1.43 0.08 -1.26 -5.12 117.98 112.76 1iqe s PHE 174 Ca 0.29 -1.07 -0.29 0.00 0.12 0.00 0.00 56.93 55.98 1iqe s PHE 174 Cb 0.20 -0.77 -0.11 0.00 -0.57 0.00 0.00 43.02 41.78 1iqe s PHE 174 CO 0.31 -0.24 1.46 0.42 -0.10 0.00 0.00 175.22 177.06 1iqe s ILE 175 N -3.68 2.33 -0.58 0.64 1.01 -1.26 -4.97 121.20 114.70 1iqe s ILE 175 Ca 0.29 0.31 0.02 0.00 0.00 0.00 0.00 60.65 61.27 1iqe s ILE 175 Cb 0.07 -3.20 0.15 0.00 0.01 0.00 0.00 42.46 39.48 1iqe s ILE 175 CO 0.07 0.06 0.35 -0.63 0.00 0.00 0.00 174.94 174.80 1iqe s ILE 176 N -0.68 3.01 0.77 2.92 1.01 -1.26 -5.07 121.20 121.90 1iqe s ILE 176 Ca 0.55 -3.32 -0.13 0.00 0.00 0.00 0.00 60.65 57.75 1iqe s ILE 176 Cb -0.44 -3.02 0.06 0.00 0.01 0.00 0.00 42.46 39.07 1iqe s ILE 176 CO 0.54 -0.85 1.15 0.42 0.00 0.00 0.00 174.94 176.19 1iqe s THR 177 N -0.37 2.64 -1.68 2.92 -4.23 -1.26 -4.88 115.64 108.78 1iqe s THR 177 Ca 0.18 0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.95 1iqe s THR 177 Cb -0.22 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 70.96 1iqe s THR 177 CO -0.03 -0.22 0.64 0.00 -0.54 0.00 0.00 174.62 174.47 1iqe n GLN 178 N -3.23 0.77 -0.18 3.99 -0.00 -1.26 -1.50 117.38 115.96 1iqe n GLN 178 Ca 0.11 0.00 0.12 0.00 -0.00 0.00 0.00 57.00 57.23 1iqe n GLN 178 Cb 0.52 -1.12 0.24 0.00 -0.00 0.00 0.00 30.24 29.87 1iqe n GLN 178 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1iqe n ASN 179 N -0.30 3.27 -3.72 2.61 4.13 -1.26 -4.91 115.26 115.08 1iqe n ASN 179 Ca 0.00 -1.97 -0.11 0.00 1.68 0.00 0.00 54.58 54.19 1iqe n ASN 179 Cb 0.06 -0.24 -0.04 0.00 -1.54 0.00 0.00 39.78 38.01 1iqe n ASN 179 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1iqe s MET 180 N -1.51 1.69 0.13 3.52 0.23 -0.56 -2.00 119.30 120.79 1iqe s MET 180 Ca 0.38 -1.41 -0.24 0.00 -1.03 0.00 0.00 55.69 53.39 1iqe s MET 180 Cb 0.22 0.47 0.07 0.00 -1.53 0.00 0.00 34.83 34.06 1iqe s MET 180 CO 0.31 -0.71 0.60 -0.59 -2.03 0.00 0.00 175.02 172.60 1iqe s PHE 181 N -3.63 -0.54 0.64 3.16 -0.12 0.15 -4.76 117.98 112.88 1iqe s PHE 181 Ca 0.25 0.43 -0.07 0.00 -0.05 0.00 0.00 56.93 57.48 1iqe s PHE 181 Cb -0.01 0.52 0.02 0.00 -0.63 0.00 0.00 43.02 42.92 1iqe s PHE 181 CO 0.12 -0.80 0.97 0.00 -0.05 0.00 0.00 175.22 175.46 1iqe n ALA 183 N -2.75 0.00 0.00 0.00 0.00 -0.92 -3.44 120.51 113.40 1iqe n ALA 183 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1iqe n ALA 183 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1iqe n ALA 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iqe n GLY 184 N 0.00 0.05 3.31 0.00 0.00 -0.42 -2.30 105.19 105.83 1iqe n GLY 184 Ca 0.00 -0.90 -0.16 0.00 0.00 0.00 0.00 46.02 44.95 1iqe n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iqe s TYR 185 N -3.93 1.50 -0.00 1.61 2.02 -1.26 -3.84 117.35 113.45 1iqe s TYR 185 Ca 0.00 -1.05 -0.00 0.00 -0.37 0.00 0.00 57.07 55.65 1iqe s TYR 185 Cb 0.00 -0.88 -0.00 0.00 -0.40 0.00 0.00 41.96 40.68 1iqe s TYR 185 CO 0.00 -0.19 -0.00 0.22 -1.57 0.00 0.00 175.55 174.01 1iqe h ASP 185 N 2.46 0.00 0.02 2.29 -0.00 -1.92 -3.42 116.42 115.86 1iqe h ASP 185 Ca -0.38 0.00 -0.38 0.00 -0.00 0.00 0.00 57.03 56.27 1iqe h ASP 185 Cb 1.23 0.00 -0.05 0.00 -0.00 0.00 0.00 39.33 40.51 1iqe h ASP 185 CO 0.63 0.01 -2.15 0.35 -0.00 0.00 0.00 179.24 178.07 1iqe n THR 185 N -2.20 1.56 -1.32 2.25 -2.24 -1.26 -2.56 114.28 108.52 1iqe n THR 185 Ca -0.00 -0.40 -0.39 0.00 -2.27 0.00 0.00 64.05 60.99 1iqe n THR 185 Cb 0.00 -1.78 0.02 0.00 -2.10 0.00 0.00 70.33 66.47 1iqe n THR 185 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1iqe n LYS 186 N -3.92 0.16 -2.94 -0.78 4.81 -1.26 -4.74 118.16 109.49 1iqe n LYS 186 Ca -0.44 0.06 -0.43 0.00 -0.87 0.00 0.00 58.31 56.63 1iqe n LYS 186 Cb 0.89 -1.21 0.01 0.00 0.02 0.00 0.00 35.03 34.74 1iqe n LYS 186 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1iqe n GLN 187 N 1.03 4.27 -3.72 1.64 1.13 -1.26 -4.81 117.38 115.67 1iqe n GLN 187 Ca 0.09 -4.39 -0.17 0.00 -1.94 0.00 0.00 57.00 50.59 1iqe n GLN 187 Cb 0.46 -2.58 -0.17 0.00 0.11 0.00 0.00 30.24 28.07 1iqe n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1iqe s GLU 188 N -2.16 -0.03 0.07 -1.09 2.02 -1.26 -4.02 118.70 112.23 1iqe s GLU 188 Ca 0.32 0.33 -0.15 0.00 0.02 0.00 0.00 54.97 55.49 1iqe s GLU 188 Cb 0.04 -0.34 0.05 0.00 0.10 0.00 0.00 34.13 33.98 1iqe s GLU 188 CO 0.08 -0.25 0.72 -3.47 0.02 0.00 0.00 175.26 172.36 1iqe n ASP 189 N 4.75 -0.98 -0.95 -0.19 -0.08 -1.22 -4.25 116.55 113.63 1iqe n ASP 189 Ca -0.15 -1.42 0.00 0.00 -1.51 0.00 0.00 54.79 51.71 1iqe n ASP 189 Cb 0.50 1.57 0.00 0.00 2.34 0.00 0.00 41.12 45.53 1iqe n ASP 189 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1iqe n ALA 190 N -1.62 0.00 0.00 -1.67 0.00 -1.26 -0.74 120.51 115.23 1iqe n ALA 190 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1iqe n ALA 190 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1iqe n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iqe n GLN 192 N -0.04 2.37 0.00 0.00 0.00 -1.26 -1.73 117.38 116.72 1iqe n GLN 192 Ca 0.00 0.85 0.00 0.00 -0.00 0.00 0.00 57.00 57.85 1iqe n GLN 192 Cb 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 30.24 27.60 1iqe n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1iqe n GLY 193 N 3.44 2.95 0.21 1.69 0.00 -1.22 -2.92 105.19 109.34 1iqe n GLY 193 Ca 0.16 -0.75 0.08 0.00 0.00 0.00 0.00 46.02 45.51 1iqe n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1iqe h ASP 194 N 0.49 0.00 -2.07 1.61 3.45 -1.58 -2.67 116.42 115.65 1iqe h ASP 194 Ca 0.00 0.00 -0.63 0.00 0.43 0.00 0.00 57.03 56.83 1iqe h ASP 194 Cb 0.00 0.00 0.07 0.00 -0.56 0.00 0.00 39.33 38.84 1iqe h ASP 194 CO 0.00 0.27 0.51 -0.24 -1.57 0.00 0.00 179.24 178.21 1iqe n SER 195 N -3.37 2.09 0.00 6.45 2.88 -1.23 -0.78 113.62 119.66 1iqe n SER 195 Ca 0.01 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 1iqe n SER 195 Cb 0.49 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 1iqe n SER 195 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iqe n GLY 196 N 2.51 2.60 0.00 0.46 0.00 -0.25 -0.38 105.19 110.13 1iqe n GLY 196 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1iqe n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqe n GLY 197 N -2.00 -2.64 3.78 -0.02 0.00 0.04 -2.94 105.19 101.40 1iqe n GLY 197 Ca 0.00 -1.32 -0.26 0.00 0.00 0.00 0.00 46.02 44.44 1iqe n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iqe s PRO 198 N -0.12 2.81 -0.17 1.61 0.04 -1.26 -3.20 135.00 134.71 1iqe s PRO 198 Ca 0.00 -0.95 -0.03 0.00 0.04 0.00 0.00 61.00 60.06 1iqe s PRO 198 Cb 0.00 -2.58 0.06 0.00 0.04 0.00 0.00 34.50 32.02 1iqe s PRO 198 CO 0.00 0.46 0.05 -1.58 0.04 0.00 0.00 177.00 175.97 1iqe s HIS 199 N -1.82 0.75 0.01 0.56 2.46 0.16 -2.92 115.29 114.50 1iqe s HIS 199 Ca 0.31 -0.61 0.06 0.00 0.47 0.00 0.00 55.06 55.28 1iqe s HIS 199 Cb -0.09 -0.90 -0.02 0.00 -0.13 0.00 0.00 32.58 31.44 1iqe s HIS 199 CO 0.23 -0.54 -0.18 0.14 -2.47 0.00 0.00 174.74 171.91 1iqe s VAL 200 N 1.95 1.44 -0.02 0.89 -7.23 0.33 -1.32 120.40 116.45 1iqe s VAL 200 Ca 0.01 -0.92 -0.10 0.00 -1.81 0.00 0.00 61.98 59.16 1iqe s VAL 200 Cb -0.16 -1.23 -0.05 0.00 0.56 0.00 0.00 36.38 35.50 1iqe s VAL 200 CO -0.08 0.29 0.29 -0.89 -0.31 0.00 0.00 175.10 174.40 1iqe s THR 201 N -0.59 5.25 -0.45 5.32 2.01 -1.09 0.22 115.64 126.31 1iqe s THR 201 Ca 0.06 0.42 -0.15 0.00 0.31 0.00 0.00 61.69 62.33 1iqe s THR 201 Cb -0.08 -3.57 0.06 0.00 0.01 0.00 0.00 72.50 68.92 1iqe s THR 201 CO 0.00 0.49 0.37 -0.60 -0.69 0.00 0.00 174.62 174.19 1iqe s ARG 202 N -1.37 2.97 -0.21 4.92 3.52 -1.26 -2.20 118.95 125.31 1iqe s ARG 202 Ca 0.24 -1.27 -0.02 0.00 -0.13 0.00 0.00 55.73 54.55 1iqe s ARG 202 Cb -0.14 -4.09 0.01 0.00 -1.56 0.00 0.00 34.95 29.17 1iqe s ARG 202 CO 0.12 -0.95 -0.10 0.12 -0.81 0.00 0.00 175.30 173.68 1iqe s PHE 203 N 1.65 2.92 -0.70 5.12 5.36 -0.46 -4.80 117.98 127.06 1iqe s PHE 203 Ca 0.04 -1.28 -0.12 0.00 -0.96 0.00 0.00 56.93 54.62 1iqe s PHE 203 Cb -0.23 -2.04 0.02 0.00 -0.34 0.00 0.00 43.02 40.43 1iqe s PHE 203 CO 0.07 -0.67 0.63 1.17 -1.46 0.00 0.00 175.22 174.97 1iqe n LYS 204 N 4.72 -1.67 -2.80 10.12 4.81 -1.26 -2.52 118.16 129.56 1iqe n LYS 204 Ca -0.19 1.03 -0.13 0.00 -0.87 0.00 0.00 58.31 58.15 1iqe n LYS 204 Cb 0.50 -2.51 -0.01 0.00 0.02 0.00 0.00 35.03 33.03 1iqe n LYS 204 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1iqe n ASP 205 N -1.82 -2.96 -3.77 3.14 -0.08 -1.26 -4.95 116.55 104.85 1iqe n ASP 205 Ca -0.23 0.06 -0.13 0.00 -1.51 0.00 0.00 54.79 52.98 1iqe n ASP 205 Cb 0.68 -2.54 -0.09 0.00 2.34 0.00 0.00 41.12 41.51 1iqe n ASP 205 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1iqe s THR 206 N -2.56 0.06 -0.02 5.18 2.01 -1.05 -5.17 115.64 114.09 1iqe s THR 206 Ca 0.15 -0.51 0.05 0.00 0.31 0.00 0.00 61.69 61.69 1iqe s THR 206 Cb -0.08 -0.63 -0.03 0.00 0.01 0.00 0.00 72.50 71.77 1iqe s THR 206 CO 0.18 -0.28 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.35 1iqe s TYR 207 N -1.43 2.62 0.22 4.92 1.51 -1.26 -1.36 117.35 122.56 1iqe s TYR 207 Ca -0.13 -0.22 0.11 0.00 -1.01 0.00 0.00 57.07 55.82 1iqe s TYR 207 Cb -0.05 -1.57 -0.05 0.00 -0.11 0.00 0.00 41.96 40.19 1iqe s TYR 207 CO 0.04 0.17 -0.18 -0.06 -1.11 0.00 0.00 175.55 174.41 1iqe s PHE 208 N -0.77 2.40 -1.37 2.71 0.08 -0.93 -2.03 117.98 118.07 1iqe s PHE 208 Ca 0.12 -0.31 -0.16 0.00 0.12 0.00 0.00 56.93 56.70 1iqe s PHE 208 Cb -0.10 -1.14 0.05 0.00 -0.57 0.00 0.00 43.02 41.26 1iqe s PHE 208 CO 0.02 0.57 1.99 0.28 -0.10 0.00 0.00 175.22 177.98 1iqe n VAL 209 N -0.12 3.64 0.11 -0.44 0.31 0.44 -2.67 118.33 119.61 1iqe n VAL 209 Ca -0.10 -3.49 -0.04 0.00 -0.01 0.00 0.00 64.34 60.70 1iqe n VAL 209 Cb 0.57 -2.48 0.13 0.00 -0.91 0.00 0.00 33.84 31.15 1iqe n VAL 209 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1iqe h THR 210 N 4.76 1.42 -2.61 2.52 1.35 -1.84 -3.44 112.91 115.08 1iqe h THR 210 Ca 0.51 -2.08 0.08 0.00 -0.55 0.00 0.00 66.41 64.37 1iqe h THR 210 Cb 0.75 2.09 -0.11 0.00 -1.73 0.00 0.00 68.15 69.15 1iqe h THR 210 CO 1.68 0.61 0.37 -0.83 -0.25 0.00 0.00 175.52 177.10 1iqe s GLY 211 N -4.40 -0.40 -0.11 5.82 0.00 -0.44 -2.22 107.32 105.58 1iqe s GLY 211 Ca -0.03 0.46 -0.02 0.00 0.00 0.00 0.00 44.72 45.14 1iqe s GLY 211 CO 0.78 0.15 -0.02 -0.42 0.00 0.00 0.00 173.10 173.59 1iqe s ILE 212 N -3.46 4.08 -0.08 0.90 1.01 -0.90 -0.66 121.20 122.08 1iqe s ILE 212 Ca 0.06 -0.32 -0.29 0.00 0.00 0.00 0.00 60.65 60.10 1iqe s ILE 212 Cb -0.02 -2.73 -0.06 0.00 0.01 0.00 0.00 42.46 39.66 1iqe s ILE 212 CO -0.05 0.56 1.87 -0.69 0.00 0.00 0.00 174.94 176.63 1iqe s VAL 213 N -0.43 3.28 0.00 2.92 1.01 -1.20 -0.25 120.40 125.74 1iqe s VAL 213 Ca 0.07 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1iqe s VAL 213 Cb -0.12 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1iqe s VAL 213 CO 0.02 -0.08 0.00 -0.24 0.00 0.00 0.00 175.10 174.80 1iqe n SER 214 N 8.39 0.00 -2.49 3.32 2.88 -0.73 -1.09 113.62 123.90 1iqe n SER 214 Ca 0.21 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.69 1iqe n SER 214 Cb 0.43 -0.26 0.02 0.00 -0.75 0.00 0.00 64.21 63.65 1iqe n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1iqe n TRP 215 N -2.34 -1.84 0.00 0.66 4.27 -0.08 -4.84 117.44 113.27 1iqe n TRP 215 Ca 0.00 -1.33 0.00 0.00 -3.89 0.00 0.00 57.50 52.28 1iqe n TRP 215 Cb 0.00 0.66 0.00 0.00 -1.36 0.00 0.00 31.31 30.61 1iqe n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1iqe n GLY 216 N -0.45 1.76 3.56 -1.67 0.00 -1.26 0.01 105.19 107.13 1iqe n GLY 216 Ca -0.06 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 1iqe n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iqe s GLU 217 N -1.85 2.70 2.02 1.61 2.02 -1.26 -4.76 118.70 119.19 1iqe s GLU 217 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 54.97 54.89 1iqe s GLU 217 Cb 0.00 -4.85 0.00 0.00 0.10 0.00 0.00 34.13 29.38 1iqe s GLU 217 CO 0.00 -3.02 0.00 0.41 0.02 0.00 0.00 175.26 172.67 1iqe n GLY 218 N 6.44 -1.14 2.86 -1.39 0.00 -1.26 -4.45 105.19 106.25 1iqe n GLY 218 Ca 0.32 -1.23 -0.27 0.00 0.00 0.00 0.00 46.02 44.83 1iqe n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqe n ALA 221 N 4.93 -0.33 -2.15 0.00 0.00 -1.26 -4.44 120.51 117.26 1iqe n ALA 221 Ca -0.11 0.18 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 1iqe n ALA 221 Cb 0.48 -1.66 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 1iqe n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1iqe s ARG 222 N -4.00 4.38 0.12 0.00 0.52 -1.26 -4.72 118.95 113.99 1iqe s ARG 222 Ca 0.00 1.99 -0.31 0.00 -0.52 0.00 0.00 55.73 56.89 1iqe s ARG 222 Cb 0.00 -3.25 -0.10 0.00 0.52 0.00 0.00 34.95 32.12 1iqe s ARG 222 CO 0.00 -0.30 1.86 0.21 0.02 0.00 0.00 175.30 177.09 1iqe s LYS 223 N 0.53 4.13 0.00 3.54 2.20 -1.25 -1.86 119.74 127.03 1iqe s LYS 223 Ca 0.59 2.62 0.00 0.00 -0.36 0.00 0.00 55.97 58.82 1iqe s LYS 223 Cb -0.35 -3.65 0.00 0.00 -1.51 0.00 0.00 37.83 32.32 1iqe s LYS 223 CO 0.33 -0.86 0.00 0.41 -0.36 0.00 0.00 175.35 174.87 1iqe n GLY 223 N 4.29 0.74 2.97 5.54 0.00 -1.06 -5.01 105.19 112.66 1iqe n GLY 223 Ca 0.18 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 1iqe n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iqe s LYS 224 N -0.75 0.34 0.27 1.61 -0.14 -0.78 -4.64 119.74 115.65 1iqe s LYS 224 Ca 0.00 -0.41 0.11 0.00 -1.36 0.00 0.00 55.97 54.32 1iqe s LYS 224 Cb 0.00 -0.17 -0.05 0.00 -1.68 0.00 0.00 37.83 35.93 1iqe s LYS 224 CO 0.00 0.03 -0.15 0.71 -0.76 0.00 0.00 175.35 175.19 1iqe s TYR 225 N -0.76 2.40 -0.06 3.18 2.02 -1.26 -4.66 117.35 118.21 1iqe s TYR 225 Ca -0.06 -0.30 -0.30 0.00 -0.37 0.00 0.00 57.07 56.04 1iqe s TYR 225 Cb -0.06 -1.05 -0.02 0.00 -0.40 0.00 0.00 41.96 40.43 1iqe s TYR 225 CO -0.00 0.68 1.05 0.20 -1.57 0.00 0.00 175.55 175.91 1iqe s GLY 226 N -3.51 2.45 -0.38 0.71 0.00 -0.97 -4.61 107.32 101.01 1iqe s GLY 226 Ca 0.30 0.49 -0.18 0.00 0.00 0.00 0.00 44.72 45.34 1iqe s GLY 226 CO 0.16 1.93 0.47 -0.42 0.00 0.00 0.00 173.10 175.24 1iqe s ILE 227 N 1.74 5.05 0.29 0.90 -1.09 0.10 -2.17 121.20 126.02 1iqe s ILE 227 Ca 0.51 0.05 0.08 0.00 -2.23 0.00 0.00 60.65 59.07 1iqe s ILE 227 Cb -0.21 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 36.65 1iqe s ILE 227 CO 0.22 -0.29 0.15 -0.31 -1.23 0.00 0.00 174.94 173.47 1iqe s TYR 228 N 2.29 2.88 0.18 3.97 1.51 -0.22 -0.90 117.35 127.05 1iqe s TYR 228 Ca 0.16 -0.23 -0.22 0.00 -1.01 0.00 0.00 57.07 55.77 1iqe s TYR 228 Cb -0.16 -1.46 -0.08 0.00 -0.11 0.00 0.00 41.96 40.15 1iqe s TYR 228 CO 0.14 0.45 0.72 0.99 -1.11 0.00 0.00 175.55 176.74 1iqe s THR 229 N -2.28 4.51 -0.63 -0.71 2.01 0.65 -0.67 115.64 118.52 1iqe s THR 229 Ca 0.35 1.44 -0.25 0.00 0.31 0.00 0.00 61.69 63.54 1iqe s THR 229 Cb -0.06 -3.98 0.04 0.00 0.01 0.00 0.00 72.50 68.52 1iqe s THR 229 CO 0.23 0.39 1.08 -0.75 -0.69 0.00 0.00 174.62 174.88 1iqe s LYS 230 N -1.51 3.28 0.11 4.92 2.20 -0.85 -2.13 119.74 125.77 1iqe s LYS 230 Ca 0.38 -0.30 -0.24 0.00 -0.36 0.00 0.00 55.97 55.45 1iqe s LYS 230 Cb -0.20 -4.12 -0.08 0.00 -1.51 0.00 0.00 37.83 31.93 1iqe s LYS 230 CO 0.23 -1.77 1.68 0.28 -0.36 0.00 0.00 175.35 175.41 1iqe h VAL 231 N 6.04 0.67 -0.77 4.02 2.07 -1.72 -1.82 116.25 124.73 1iqe h VAL 231 Ca -0.27 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.42 1iqe h VAL 231 Cb 1.06 0.67 -0.12 0.00 -1.52 0.00 0.00 31.29 31.38 1iqe h VAL 231 CO 1.18 0.00 0.20 0.71 0.02 0.00 0.00 177.57 179.67 1iqe h THR 232 N -0.23 0.48 0.00 2.57 1.35 -1.85 1.46 112.91 116.68 1iqe h THR 232 Ca 0.04 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1iqe h THR 232 Cb 0.29 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 66.89 1iqe h THR 232 CO -0.13 0.05 0.04 0.00 -0.25 0.00 0.00 175.52 175.23 1iqe n ALA 233 N -2.67 0.98 -0.65 6.62 0.00 -0.69 -1.34 120.51 122.76 1iqe n ALA 233 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1iqe n ALA 233 Cb 0.50 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1iqe n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1iqe n PHE 234 N -1.36 0.00 -0.20 0.00 3.72 0.43 -4.91 117.46 115.14 1iqe n PHE 234 Ca 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.35 1iqe n PHE 234 Cb 0.04 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.53 1iqe n PHE 234 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1iqe n LEU 235 N -0.02 -0.51 0.31 4.37 4.32 0.25 0.14 117.00 125.86 1iqe n LEU 235 Ca 0.00 1.22 0.19 0.00 -0.02 0.00 0.00 56.01 57.40 1iqe n LEU 235 Cb 0.16 -0.30 1.03 0.00 -1.62 0.00 0.00 43.42 42.70 1iqe n LEU 235 CO 0.00 -0.88 1.13 0.11 -1.22 0.00 0.00 177.39 176.53 1iqe h LYS 236 N 0.00 0.00 -0.10 3.23 1.57 -1.87 -0.21 116.57 119.19 1iqe h LYS 236 Ca 0.08 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.65 1iqe h LYS 236 Cb 0.20 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.52 1iqe h LYS 236 CO -0.45 0.02 -0.75 2.35 -0.57 0.00 0.00 179.45 180.05 1iqe h TRP 237 N 0.00 0.95 -0.63 -1.35 7.01 0.79 -3.11 115.95 119.60 1iqe h TRP 237 Ca -0.00 -0.44 0.07 0.00 2.11 0.00 0.00 58.89 60.62 1iqe h TRP 237 Cb 0.08 -0.14 -0.06 0.00 -2.10 0.00 0.00 29.16 26.95 1iqe h TRP 237 CO 0.00 1.26 0.32 0.82 -2.79 0.00 0.00 178.44 178.05 1iqe h ILE 238 N 0.36 0.91 0.43 2.65 2.04 0.14 -2.65 117.51 121.39 1iqe h ILE 238 Ca -0.07 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1iqe h ILE 238 Cb 1.39 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1iqe h ILE 238 CO 0.15 0.11 -0.21 0.44 0.00 0.00 0.00 178.15 178.64 1iqe h ASP 239 N 0.59 -0.49 -0.85 1.72 3.32 -1.46 -2.38 116.42 116.88 1iqe h ASP 239 Ca 0.29 0.01 0.24 0.00 0.02 0.00 0.00 57.03 57.59 1iqe h ASP 239 Cb 0.24 0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 1iqe h ASP 239 CO -0.21 -0.34 0.61 -0.09 -1.72 0.00 0.00 179.24 177.48 1iqe h ARG 240 N -0.59 0.03 0.09 3.56 2.43 -1.44 0.34 114.38 118.80 1iqe h ARG 240 Ca -0.06 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1iqe h ARG 240 Cb 0.45 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1iqe h ARG 240 CO 0.10 0.02 -0.04 0.77 -1.51 0.00 0.00 179.97 179.30 1iqe h SER 241 N 0.03 -0.10 -0.05 -3.80 0.02 -1.09 0.18 113.55 108.74 1iqe h SER 241 Ca 0.41 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1iqe h SER 241 Cb 1.58 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 64.14 1iqe h SER 241 CO -0.02 0.43 0.03 0.24 -1.14 0.00 0.00 176.83 176.38 1iqe h MET 242 N -0.68 0.06 0.00 3.45 2.86 -0.66 0.55 114.93 120.51 1iqe h MET 242 Ca -0.01 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1iqe h MET 242 Cb 0.54 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1iqe h MET 242 CO 0.02 0.06 0.00 1.63 1.06 0.00 0.00 176.91 179.68 1iqe n LYS 243 N -5.05 0.61 -1.94 1.72 4.76 0.10 -4.94 118.16 113.43 1iqe n LYS 243 Ca -0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 1iqe n LYS 243 Cb 0.04 -1.35 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 1iqe n LYS 243 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1iqe n THR 244 N -0.85-12.39 0.00 -0.18 -1.04 0.19 -4.99 114.28 95.02 1iqe n THR 244 Ca 0.10 3.16 0.00 0.00 -2.04 0.00 0.00 64.05 65.27 1iqe n THR 244 Cb 0.05 -5.19 0.00 0.00 -1.82 0.00 0.00 70.33 63.37 1iqe n THR 244 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29