#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqm s VAL 17 N 0.00 4.17 0.00 1.39 1.01 -0.29 -4.34 120.40 122.34 1iqm s VAL 17 Ca 0.00 1.91 0.00 0.00 0.00 0.00 0.00 61.98 63.89 1iqm s VAL 17 Cb 0.00 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1iqm s VAL 17 CO 0.00 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1iqm n GLY 18 N 1.97 -0.67 0.00 4.51 0.00 -1.25 -2.90 105.19 106.84 1iqm n GLY 18 Ca 0.01 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1iqm n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqm n GLY 19 N 0.00 -1.74 4.02 -0.02 0.00 -1.26 -4.91 105.19 101.28 1iqm n GLY 19 Ca 0.00 -1.52 -0.19 0.00 0.00 0.00 0.00 46.02 44.30 1iqm n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1iqm s GLN 20 N -1.87 2.41 0.15 1.61 -1.52 -0.57 -4.90 119.66 114.98 1iqm s GLN 20 Ca 0.00 -1.46 -0.16 0.00 -1.95 0.00 0.00 55.36 51.80 1iqm s GLN 20 Cb 0.00 -2.65 -0.07 0.00 -0.22 0.00 0.00 33.01 30.07 1iqm s GLN 20 CO 0.00 -0.73 0.58 -2.00 -0.25 0.00 0.00 175.29 172.89 1iqm s GLU 21 N -4.62 4.05 -0.51 2.91 2.12 -1.26 -0.30 118.70 121.09 1iqm s GLU 21 Ca 0.60 0.58 -0.28 0.00 0.36 0.00 0.00 54.97 56.23 1iqm s GLU 21 Cb -0.07 -2.95 0.02 0.00 0.26 0.00 0.00 34.13 31.38 1iqm s GLU 21 CO 0.38 0.48 1.33 0.00 -0.54 0.00 0.00 175.26 176.91 1iqm s LYS 23 N 5.09 0.60 -0.37 0.00 -0.14 -1.26 -4.85 119.74 118.81 1iqm s LYS 23 Ca 0.53 0.15 -0.42 0.00 -1.36 0.00 0.00 55.97 54.88 1iqm s LYS 23 Cb -0.10 -1.79 -0.16 0.00 -1.68 0.00 0.00 37.83 34.09 1iqm s LYS 23 CO 0.28 -2.53 1.83 -3.47 -0.76 0.00 0.00 175.35 170.70 1iqm n ASP 24 N -3.97 1.87 0.00 2.83 -0.08 -1.26 -1.30 116.55 114.64 1iqm n ASP 24 Ca 0.09 0.95 0.00 0.00 -1.51 0.00 0.00 54.79 54.32 1iqm n ASP 24 Cb 0.59 -1.07 0.00 0.00 2.34 0.00 0.00 41.12 42.99 1iqm n ASP 24 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1iqm n GLY 25 N 4.96 1.69 0.26 0.27 0.00 -1.26 -4.90 105.19 106.22 1iqm n GLY 25 Ca 0.34 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.27 1iqm n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1iqm h GLU 26 N 2.04 0.80 -2.04 1.61 5.08 -1.52 -3.34 114.58 117.21 1iqm h GLU 26 Ca 0.00 -0.33 -0.57 0.00 -1.00 0.00 0.00 59.36 57.46 1iqm h GLU 26 Cb 0.00 -0.03 -0.42 0.00 0.50 0.00 0.00 28.75 28.80 1iqm h GLU 26 CO 0.00 0.95 -0.75 0.00 -1.00 0.00 0.00 179.01 178.21 1iqm h PRO 28 N 2.90 0.00 -0.21 0.00 0.13 -1.80 -2.77 132.00 130.25 1iqm h PRO 28 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1iqm h PRO 28 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1iqm h PRO 28 CO 0.77 0.01 0.00 -2.67 -0.23 0.00 0.00 178.00 175.88 1iqm n TRP 29 N -3.12 0.27 -2.36 1.56 2.14 -1.16 -1.84 117.44 112.93 1iqm n TRP 29 Ca -0.02 -0.13 -0.36 0.00 2.07 0.00 0.00 57.50 59.06 1iqm n TRP 29 Cb 0.17 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.65 1iqm n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1iqm s GLN 30 N -1.73 3.76 0.06 -2.67 2.00 -1.05 -0.70 119.66 119.33 1iqm s GLN 30 Ca 0.33 1.63 -0.01 0.00 -2.00 0.00 0.00 55.36 55.31 1iqm s GLN 30 Cb 0.19 -2.31 -0.04 0.00 0.80 0.00 0.00 33.01 31.65 1iqm s GLN 30 CO 0.27 -0.51 -0.02 0.00 -0.50 0.00 0.00 175.29 174.54 1iqm s ALA 31 N -1.68 0.54 -0.03 1.58 0.00 -0.88 -4.51 121.76 116.78 1iqm s ALA 31 Ca 0.65 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1iqm s ALA 31 Cb -0.24 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.23 1iqm s ALA 31 CO 0.29 -0.39 -0.05 -1.17 0.00 0.00 0.00 175.76 174.45 1iqm s LEU 32 N -2.93 1.58 -0.27 0.00 2.96 -0.54 -2.55 118.68 116.92 1iqm s LEU 32 Ca 0.09 -0.12 -0.12 0.00 -0.22 0.00 0.00 54.13 53.76 1iqm s LEU 32 Cb 0.08 -0.39 -0.05 0.00 0.50 0.00 0.00 46.19 46.33 1iqm s LEU 32 CO -0.09 -0.01 0.23 -0.76 -1.32 0.00 0.00 176.35 174.40 1iqm s LEU 33 N 0.52 4.03 0.03 -0.68 1.43 -0.09 0.19 118.68 124.10 1iqm s LEU 33 Ca -0.07 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.14 1iqm s LEU 33 Cb -0.10 -2.18 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 1iqm s LEU 33 CO -0.00 -0.07 -0.09 0.27 0.23 0.00 0.00 176.35 176.69 1iqm s ILE 34 N 1.78 3.48 0.00 -0.59 -4.36 0.03 -0.99 121.20 120.55 1iqm s ILE 34 Ca 0.09 -0.92 0.00 0.00 -0.26 0.00 0.00 60.65 59.56 1iqm s ILE 34 Cb -0.16 -2.53 0.00 0.00 1.25 0.00 0.00 42.46 41.02 1iqm s ILE 34 CO 0.10 0.34 0.00 -0.46 0.24 0.00 0.00 174.94 175.16 1iqm n ASN 35 N 1.40 0.00 0.02 4.36 0.23 -0.97 -1.62 115.26 118.68 1iqm n ASN 35 Ca -0.15 -0.67 -0.10 0.00 -0.53 0.00 0.00 54.58 53.13 1iqm n ASN 35 Cb 0.52 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.19 1iqm n ASN 35 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1iqm h GLU 36 N 0.00 -0.18 0.00 -3.83 9.09 -1.91 0.37 114.58 118.12 1iqm h GLU 36 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.42 1iqm h GLU 36 Cb 0.00 0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.14 1iqm h GLU 36 CO 0.00 -0.12 0.05 0.39 0.05 0.00 0.00 179.01 179.38 1iqm n GLU 37 N -5.27 0.00 -2.21 1.06 1.02 -1.26 -4.76 120.64 109.22 1iqm n GLU 37 Ca -0.04 0.40 -0.11 0.00 -0.02 0.00 0.00 57.16 57.39 1iqm n GLU 37 Cb 0.19 -1.55 -0.01 0.00 -0.02 0.00 0.00 31.44 30.06 1iqm n GLU 37 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1iqm n ASN 38 N -1.40 -3.58 -4.58 1.62 5.15 0.13 -5.02 115.26 107.59 1iqm n ASN 38 Ca 0.00 -0.01 -0.34 0.00 -0.60 0.00 0.00 54.58 53.63 1iqm n ASN 38 Cb 0.05 -2.82 -0.11 0.00 -0.53 0.00 0.00 39.78 36.37 1iqm n ASN 38 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1iqm s GLU 39 N -4.55 3.01 0.09 1.20 -1.05 -1.26 -4.78 118.70 111.37 1iqm s GLU 39 Ca 0.00 -0.51 -0.31 0.00 -0.15 0.00 0.00 54.97 54.00 1iqm s GLU 39 Cb -0.00 -2.71 -0.08 0.00 -0.44 0.00 0.00 34.13 30.91 1iqm s GLU 39 CO 0.00 0.57 1.46 0.20 0.95 0.00 0.00 175.26 178.45 1iqm s GLY 40 N -0.55 1.81 -0.01 -3.83 0.00 -1.26 -2.30 107.32 101.19 1iqm s GLY 40 Ca 0.08 1.13 0.04 0.00 0.00 0.00 0.00 44.72 45.97 1iqm s GLY 40 CO 0.02 2.51 0.08 1.97 0.00 0.00 0.00 173.10 177.68 1iqm n PHE 41 N 4.48 0.00 -3.98 1.90 1.16 -0.16 -4.99 117.46 115.86 1iqm n PHE 41 Ca 0.13 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.61 1iqm n PHE 41 Cb 0.42 -0.09 -0.04 0.00 -1.61 0.00 0.00 39.48 38.15 1iqm n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1iqm s GLY 43 N -3.04 2.35 0.29 0.00 0.00 0.07 -0.91 107.32 106.08 1iqm s GLY 43 Ca 0.22 -1.47 -0.20 0.00 0.00 0.00 0.00 44.72 43.27 1iqm s GLY 43 CO 0.10 -1.90 0.74 -0.32 0.00 0.00 0.00 173.10 171.72 1iqm s GLY 44 N -4.19 -0.02 -0.04 0.20 0.00 -1.06 -3.60 107.32 98.61 1iqm s GLY 44 Ca 0.37 -0.37 0.04 0.00 0.00 0.00 0.00 44.72 44.75 1iqm s GLY 44 CO 0.22 -0.11 -0.15 -1.59 0.00 0.00 0.00 173.10 171.47 1iqm s THR 45 N -3.62 1.27 -0.26 0.90 2.01 0.77 -2.08 115.64 114.63 1iqm s THR 45 Ca 0.12 -0.62 -0.29 0.00 0.31 0.00 0.00 61.69 61.21 1iqm s THR 45 Cb -0.06 -1.11 0.01 0.00 0.01 0.00 0.00 72.50 71.35 1iqm s THR 45 CO 0.08 0.37 1.09 -0.63 -0.69 0.00 0.00 174.62 174.84 1iqm s ILE 46 N 0.18 4.54 -0.12 1.82 1.01 0.12 -0.23 121.20 128.52 1iqm s ILE 46 Ca -0.06 1.83 0.05 0.00 0.00 0.00 0.00 60.65 62.47 1iqm s ILE 46 Cb -0.12 -4.30 -0.24 0.00 0.01 0.00 0.00 42.46 37.81 1iqm s ILE 46 CO 0.02 -0.30 0.35 0.18 0.00 0.00 0.00 174.94 175.19 1iqm n LEU 47 N 6.63 1.67 -3.85 2.97 4.77 -0.58 -0.69 117.00 127.91 1iqm n LEU 47 Ca 0.12 0.21 -0.05 0.00 -0.03 0.00 0.00 56.01 56.26 1iqm n LEU 47 Cb 0.46 -0.39 0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1iqm n LEU 47 CO 0.56 0.65 0.70 -0.94 -1.33 0.00 0.00 177.39 177.03 1iqm s SER 48 N -6.41 0.01 0.65 -1.43 1.04 -1.22 -4.39 113.70 101.95 1iqm s SER 48 Ca -0.16 -0.87 0.37 0.00 0.48 0.00 0.00 55.95 55.77 1iqm s SER 48 Cb 0.07 0.64 2.07 0.00 0.10 0.00 0.00 66.02 68.90 1iqm s SER 48 CO 0.78 -1.27 2.22 1.05 0.98 0.00 0.00 173.24 176.99 1iqm h GLU 49 N 2.00 0.00 0.00 4.02 4.11 -1.97 -3.03 114.58 119.72 1iqm h GLU 49 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1iqm h GLU 49 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1iqm h GLU 49 CO 0.38 0.00 -0.68 1.19 0.07 0.00 0.00 179.01 179.97 1iqm n PHE 50 N -3.26 0.00 -5.24 2.06 3.72 -1.26 0.10 117.46 113.58 1iqm n PHE 50 Ca -0.02 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.07 1iqm n PHE 50 Cb 0.18 -0.06 -0.16 0.00 -0.94 0.00 0.00 39.48 38.50 1iqm n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1iqm s TYR 51 N -1.90 2.42 -0.05 1.38 2.02 -1.15 0.30 117.35 120.37 1iqm s TYR 51 Ca 0.00 -0.54 0.06 0.00 -0.37 0.00 0.00 57.07 56.22 1iqm s TYR 51 Cb 0.04 -1.56 -0.02 0.00 -0.40 0.00 0.00 41.96 40.03 1iqm s TYR 51 CO 0.24 -0.10 -0.23 0.42 -1.57 0.00 0.00 175.55 174.31 1iqm s ILE 52 N -0.41 2.25 -0.18 2.71 -1.09 0.19 -1.53 121.20 123.13 1iqm s ILE 52 Ca 0.04 -1.01 -0.11 0.00 -2.23 0.00 0.00 60.65 57.34 1iqm s ILE 52 Cb -0.12 -1.82 -0.05 0.00 -1.58 0.00 0.00 42.46 38.89 1iqm s ILE 52 CO 0.01 0.57 0.18 -0.22 -1.23 0.00 0.00 174.94 174.26 1iqm s LEU 53 N -0.33 4.23 0.00 2.97 2.96 0.68 0.88 118.68 130.08 1iqm s LEU 53 Ca 0.02 0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 54.22 1iqm s LEU 53 Cb -0.12 -2.18 0.02 0.00 0.50 0.00 0.00 46.19 44.40 1iqm s LEU 53 CO 0.02 0.17 0.47 1.07 -1.32 0.00 0.00 176.35 176.76 1iqm n THR 54 N 3.43 0.00 -3.36 3.68 5.66 0.11 -0.16 114.28 123.64 1iqm n THR 54 Ca -0.15 -1.31 -0.36 0.00 -3.05 0.00 0.00 64.05 59.18 1iqm n THR 54 Cb 0.52 0.89 -0.06 0.00 -1.55 0.00 0.00 70.33 70.13 1iqm n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1iqm s ALA 55 N -2.40 3.59 0.16 1.79 0.00 -1.26 0.09 121.76 123.72 1iqm s ALA 55 Ca 0.21 -0.12 -0.13 0.00 0.00 0.00 0.00 51.96 51.92 1iqm s ALA 55 Cb -0.02 -2.53 0.05 0.00 0.00 0.00 0.00 23.12 20.63 1iqm s ALA 55 CO 0.15 0.45 1.73 0.00 0.00 0.00 0.00 175.76 178.10 1iqm h ALA 56 N 3.75 0.68 0.00 0.00 0.00 -1.74 -2.64 119.26 119.31 1iqm h ALA 56 Ca -0.49 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1iqm h ALA 56 Cb 1.20 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1iqm h ALA 56 CO 0.65 0.26 0.00 -2.39 0.00 0.00 0.00 179.25 177.77 1iqm n HIS 57 N -4.57 0.40 0.20 0.00 1.44 -1.26 -1.04 115.22 110.40 1iqm n HIS 57 Ca 0.02 0.20 0.09 0.00 -2.01 0.00 0.00 57.72 56.03 1iqm n HIS 57 Cb 0.13 -0.83 0.18 0.00 0.12 0.00 0.00 29.99 29.59 1iqm n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1iqm h LEU 59 N 0.00 0.00 0.06 0.00 3.38 -1.21 -2.83 115.31 114.71 1iqm h LEU 59 Ca -0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1iqm h LEU 59 Cb 1.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1iqm h LEU 59 CO 0.03 0.00 -1.80 1.88 0.09 0.00 0.00 178.44 178.64 1iqm h TYR 60 N 0.00 0.25 0.00 1.13 0.99 -1.69 -3.38 116.97 114.28 1iqm h TYR 60 Ca 0.00 -0.18 0.00 0.00 2.00 0.00 0.00 58.73 60.55 1iqm h TYR 60 Cb 0.29 -0.01 0.00 0.00 1.00 0.00 0.00 36.73 38.01 1iqm h TYR 60 CO 0.00 1.36 0.00 1.04 -0.00 0.00 0.00 178.16 180.56 1iqm n GLN 61 N -3.27 0.48 -3.66 4.88 6.02 -1.07 -4.72 117.38 116.04 1iqm n GLN 61 Ca -0.23 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.62 1iqm n GLN 61 Cb 1.05 -1.05 -0.08 0.00 1.02 0.00 0.00 30.24 31.18 1iqm n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1iqm s ALA 61 N -1.81 -1.52 0.00 -1.58 0.00 -1.26 -5.05 121.76 110.54 1iqm s ALA 61 Ca 0.00 1.68 0.00 0.00 0.00 0.00 0.00 51.96 53.64 1iqm s ALA 61 Cb 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.20 1iqm s ALA 61 CO 0.00 -0.30 0.39 1.17 0.00 0.00 0.00 175.76 177.03 1iqm n LYS 62 N 2.60 0.00 -4.86 0.00 3.00 -1.26 -4.84 118.16 112.79 1iqm n LYS 62 Ca -0.14 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 57.90 1iqm n LYS 62 Cb 0.56 -0.89 -0.15 0.00 0.00 0.00 0.00 35.03 34.55 1iqm n LYS 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1iqm s ARG 63 N -0.78 1.59 0.19 1.64 3.52 -1.26 -5.09 118.95 118.75 1iqm s ARG 63 Ca 0.00 -0.87 -0.08 0.00 -0.13 0.00 0.00 55.73 54.65 1iqm s ARG 63 Cb 0.00 -1.63 -0.01 0.00 -1.56 0.00 0.00 34.95 31.75 1iqm s ARG 63 CO 0.00 0.43 0.29 -0.59 -0.81 0.00 0.00 175.30 174.63 1iqm s PHE 64 N -0.65 0.55 0.24 5.12 -0.71 -1.26 -3.78 117.98 117.48 1iqm s PHE 64 Ca 0.08 -0.89 0.01 0.00 -1.04 0.00 0.00 56.93 55.10 1iqm s PHE 64 Cb -0.09 -0.11 -0.05 0.00 -1.21 0.00 0.00 43.02 41.57 1iqm s PHE 64 CO 0.01 -0.76 0.08 0.15 -1.34 0.00 0.00 175.22 173.35 1iqm s LYS 65 N -4.02 1.34 0.07 1.99 1.02 -0.64 -4.52 119.74 114.99 1iqm s LYS 65 Ca 0.23 -1.71 0.07 0.00 0.02 0.00 0.00 55.97 54.58 1iqm s LYS 65 Cb 0.03 -0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 37.04 1iqm s LYS 65 CO 0.05 -0.26 -0.15 0.14 -0.92 0.00 0.00 175.35 174.21 1iqm s VAL 66 N -3.73 3.01 -0.09 3.17 -7.23 -0.83 -0.79 120.40 113.91 1iqm s VAL 66 Ca 0.35 -1.26 0.04 0.00 -1.81 0.00 0.00 61.98 59.30 1iqm s VAL 66 Cb 0.07 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.67 1iqm s VAL 66 CO 0.11 0.22 -0.22 -0.60 -0.31 0.00 0.00 175.10 174.30 1iqm s ARG 67 N -1.82 2.74 0.46 4.82 3.52 0.13 -1.76 118.95 127.04 1iqm s ARG 67 Ca 0.17 -0.81 0.05 0.00 -0.13 0.00 0.00 55.73 55.02 1iqm s ARG 67 Cb -0.11 -2.13 -0.04 0.00 -1.56 0.00 0.00 34.95 31.12 1iqm s ARG 67 CO 0.09 0.19 0.13 0.14 -0.81 0.00 0.00 175.30 175.04 1iqm s VAL 68 N 0.30 1.86 -1.28 7.11 -7.23 -1.15 -1.46 120.40 118.55 1iqm s VAL 68 Ca -0.16 -1.80 -0.07 0.00 -1.81 0.00 0.00 61.98 58.14 1iqm s VAL 68 Cb -0.17 -2.67 0.05 0.00 0.56 0.00 0.00 36.38 34.15 1iqm s VAL 68 CO 0.07 0.00 0.42 0.61 -0.31 0.00 0.00 175.10 175.89 1iqm n GLY 69 N -1.26 -0.49 3.11 2.32 0.00 -1.17 -3.43 105.19 104.26 1iqm n GLY 69 Ca -0.06 0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1iqm n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iqm s ASP 70 N -2.59 3.17 -0.01 1.61 2.15 -1.26 -3.50 116.67 116.24 1iqm s ASP 70 Ca 0.31 -0.68 0.08 0.00 0.43 0.00 0.00 52.55 52.69 1iqm s ASP 70 Cb -0.16 -1.46 -0.12 0.00 -0.30 0.00 0.00 42.92 40.89 1iqm s ASP 70 CO 0.38 -0.02 0.26 0.54 -0.17 0.00 0.00 175.17 176.16 1iqm n ARG 71 N 4.62 1.95 -3.58 4.34 1.74 -1.26 -4.85 116.66 119.63 1iqm n ARG 71 Ca -0.20 -0.05 -0.28 0.00 -0.77 0.00 0.00 57.85 56.55 1iqm n ARG 71 Cb 0.50 -1.07 -0.16 0.00 -1.02 0.00 0.00 32.46 30.71 1iqm n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1iqm s ASN 72 N -2.48 3.09 0.00 0.55 3.84 -1.26 -1.63 114.94 117.05 1iqm s ASN 72 Ca -0.00 -1.03 0.00 0.00 0.21 0.00 0.00 52.86 52.03 1iqm s ASN 72 Cb 0.06 -0.33 0.00 0.00 -0.55 0.00 0.00 41.25 40.43 1iqm s ASN 72 CO 0.35 -0.40 0.44 0.35 -2.79 0.00 0.00 177.10 175.05 1iqm n THR 73 N 5.24 0.00 -0.05 -5.21 -2.24 0.16 -3.42 114.28 108.77 1iqm n THR 73 Ca -0.06 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.64 1iqm n THR 73 Cb 0.45 -0.96 -0.03 0.00 -2.10 0.00 0.00 70.33 67.70 1iqm n THR 73 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iqm n GLU 74 N -0.94 0.35 -2.91 -0.78 1.02 -1.26 -4.94 120.64 111.18 1iqm n GLU 74 Ca 0.00 0.14 -0.43 0.00 -0.02 0.00 0.00 57.16 56.85 1iqm n GLU 74 Cb 0.00 -1.12 -0.05 0.00 -0.02 0.00 0.00 31.44 30.26 1iqm n GLU 74 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1iqm s GLN 75 N -2.56 3.29 -0.22 3.49 1.11 -1.22 -5.00 119.66 118.55 1iqm s GLN 75 Ca -0.20 -0.38 -0.42 0.00 0.01 0.00 0.00 55.36 54.37 1iqm s GLN 75 Cb 0.04 -4.05 -0.18 0.00 -1.01 0.00 0.00 33.01 27.80 1iqm s GLN 75 CO 0.29 -1.41 1.47 -1.91 0.01 0.00 0.00 175.29 173.74 1iqm n GLU 76 N 7.15 0.52 -4.21 2.91 4.07 -1.26 -4.82 120.64 125.00 1iqm n GLU 76 Ca 0.00 0.19 -0.34 0.00 -0.06 0.00 0.00 57.16 56.95 1iqm n GLU 76 Cb 0.47 -1.76 -0.14 0.00 -0.06 0.00 0.00 31.44 29.95 1iqm n GLU 76 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1iqm s GLU 77 N 2.03 3.44 0.27 5.31 2.02 -1.26 -5.00 118.70 125.51 1iqm s GLU 77 Ca 0.96 -0.62 0.12 0.00 0.02 0.00 0.00 54.97 55.45 1iqm s GLU 77 Cb -1.23 -2.90 0.63 0.00 0.10 0.00 0.00 34.13 30.73 1iqm s GLU 77 CO 0.66 -0.01 1.25 0.41 0.02 0.00 0.00 175.26 177.59 1iqm n GLY 78 N 4.24 -0.59 0.09 -1.39 0.00 -1.26 -1.09 105.19 105.20 1iqm n GLY 78 Ca -0.18 0.11 0.15 0.00 0.00 0.00 0.00 46.02 46.10 1iqm n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqm n GLY 79 N -1.29 -0.94 3.85 -0.02 0.00 -1.26 -4.90 105.19 100.63 1iqm n GLY 79 Ca -0.01 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 1iqm n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iqm s GLU 80 N -2.30 2.83 -0.09 1.61 2.02 -0.25 -4.45 118.70 118.08 1iqm s GLU 80 Ca 0.36 0.67 -0.30 0.00 0.02 0.00 0.00 54.97 55.72 1iqm s GLU 80 Cb 0.21 -2.00 0.08 0.00 0.10 0.00 0.00 34.13 32.52 1iqm s GLU 80 CO 0.42 -1.10 0.75 0.00 0.02 0.00 0.00 175.26 175.35 1iqm s ALA 81 N -3.20 -1.80 -0.07 5.21 0.00 -1.22 -5.01 121.76 115.66 1iqm s ALA 81 Ca 0.58 1.45 0.05 0.00 0.00 0.00 0.00 51.96 54.03 1iqm s ALA 81 Cb -0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 1iqm s ALA 81 CO 0.54 -0.35 -0.22 0.08 0.00 0.00 0.00 175.76 175.81 1iqm s VAL 82 N -1.00 2.36 0.06 0.00 1.01 -1.26 -2.92 120.40 118.65 1iqm s VAL 82 Ca -0.08 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.02 1iqm s VAL 82 Cb -0.01 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1iqm s VAL 82 CO 0.07 0.57 -0.21 -1.00 0.00 0.00 0.00 175.10 174.53 1iqm s HIS 83 N -0.16 1.81 0.25 5.22 3.76 -0.72 -5.01 115.29 120.43 1iqm s HIS 83 Ca -0.03 -0.39 0.01 0.00 -0.15 0.00 0.00 55.06 54.50 1iqm s HIS 83 Cb -0.14 -1.05 -0.04 0.00 1.11 0.00 0.00 32.58 32.46 1iqm s HIS 83 CO 0.04 0.13 0.43 -1.21 -0.85 0.00 0.00 174.74 173.27 1iqm s GLU 84 N -1.39 3.50 -0.09 1.40 2.02 -1.26 -1.96 118.70 120.91 1iqm s GLU 84 Ca 0.07 -0.42 -0.16 0.00 0.02 0.00 0.00 54.97 54.48 1iqm s GLU 84 Cb -0.09 -2.80 -0.05 0.00 0.10 0.00 0.00 34.13 31.29 1iqm s GLU 84 CO 0.02 0.34 0.42 0.08 0.02 0.00 0.00 175.26 176.14 1iqm s VAL 85 N -2.01 5.16 -0.17 2.63 1.01 -1.26 -1.54 120.40 124.22 1iqm s VAL 85 Ca 0.38 0.83 -0.22 0.00 0.00 0.00 0.00 61.98 62.97 1iqm s VAL 85 Cb -0.10 -3.74 -0.23 0.00 0.00 0.00 0.00 36.38 32.31 1iqm s VAL 85 CO 0.31 0.42 0.42 -0.08 0.00 0.00 0.00 175.10 176.16 1iqm h GLU 86 N 6.09 0.06 -2.41 2.72 4.81 -0.60 -3.44 114.58 121.81 1iqm h GLU 86 Ca -0.44 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 58.61 1iqm h GLU 86 Cb 1.19 0.04 -0.23 0.00 0.63 0.00 0.00 28.75 30.37 1iqm h GLU 86 CO 0.71 1.05 -0.09 0.14 -0.73 0.00 0.00 179.01 180.09 1iqm s VAL 87 N -2.36 -0.00 -0.21 0.32 -7.23 -1.12 -5.03 120.40 104.78 1iqm s VAL 87 Ca -0.25 0.01 -0.08 0.00 -1.81 0.00 0.00 61.98 59.85 1iqm s VAL 87 Cb 0.03 -0.76 -0.04 0.00 0.56 0.00 0.00 36.38 36.17 1iqm s VAL 87 CO 0.65 0.00 0.09 0.68 -0.31 0.00 0.00 175.10 176.22 1iqm s VAL 88 N 0.45 4.86 -0.48 1.32 -7.23 -1.26 -1.72 120.40 116.34 1iqm s VAL 88 Ca -0.01 -0.00 -0.15 0.00 -1.81 0.00 0.00 61.98 60.01 1iqm s VAL 88 Cb -0.04 -3.22 0.09 0.00 0.56 0.00 0.00 36.38 33.76 1iqm s VAL 88 CO -0.01 0.41 0.40 -0.63 -0.31 0.00 0.00 175.10 174.95 1iqm s ILE 89 N 0.77 5.08 -0.14 -0.62 1.09 0.34 -5.00 121.20 122.72 1iqm s ILE 89 Ca 0.05 -1.21 -0.05 0.00 -1.10 0.00 0.00 60.65 58.34 1iqm s ILE 89 Cb -0.13 -4.09 -0.04 0.00 -1.06 0.00 0.00 42.46 37.14 1iqm s ILE 89 CO 0.02 -0.63 0.04 -0.75 -0.10 0.00 0.00 174.94 173.52 1iqm s LYS 90 N 1.60 3.53 0.20 2.79 2.36 -1.26 -1.31 119.74 127.64 1iqm s LYS 90 Ca 0.04 -0.35 -0.31 0.00 -2.55 0.00 0.00 55.97 52.79 1iqm s LYS 90 Cb -0.25 -3.04 -0.11 0.00 -1.05 0.00 0.00 37.83 33.39 1iqm s LYS 90 CO 0.05 0.49 1.59 -1.58 1.55 0.00 0.00 175.35 177.45 1iqm s HIS 91 N -0.27 3.00 0.09 4.03 5.65 -1.21 -4.92 115.29 121.64 1iqm s HIS 91 Ca 0.08 0.63 -0.20 0.00 0.25 0.00 0.00 55.06 55.82 1iqm s HIS 91 Cb -0.12 -3.97 -0.09 0.00 -1.18 0.00 0.00 32.58 27.22 1iqm s HIS 91 CO 0.02 -3.53 1.57 -2.95 -0.65 0.00 0.00 174.74 169.20 1iqm h ASN 92 N 6.41 0.33 0.00 9.88 -0.00 -1.94 -3.04 115.58 127.22 1iqm h ASN 92 Ca -0.43 -0.24 0.00 0.00 -0.00 0.00 0.00 56.30 55.63 1iqm h ASN 92 Cb 1.21 -0.09 0.00 0.00 -0.00 0.00 0.00 38.32 39.44 1iqm h ASN 92 CO 0.90 0.48 0.07 0.54 -0.00 0.00 0.00 177.43 179.42 1iqm n ARG 93 N -4.75 0.08 -2.02 4.14 5.12 -1.26 -4.73 116.66 113.23 1iqm n ARG 93 Ca -0.04 0.55 -0.38 0.00 -1.93 0.00 0.00 57.85 56.05 1iqm n ARG 93 Cb 0.18 -1.83 0.01 0.00 -1.16 0.00 0.00 32.46 29.66 1iqm n ARG 93 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1iqm s PHE 94 N -3.26 2.66 -0.23 -1.55 5.36 -1.15 -4.80 117.98 115.01 1iqm s PHE 94 Ca -0.01 1.43 -0.20 0.00 -0.96 0.00 0.00 56.93 57.19 1iqm s PHE 94 Cb 0.03 -3.63 0.06 0.00 -0.34 0.00 0.00 43.02 39.14 1iqm s PHE 94 CO 0.11 -2.19 0.60 0.95 -1.46 0.00 0.00 175.22 173.23 1iqm s THR 95 N -1.36 -0.00 0.44 0.12 -4.23 -1.24 -5.03 115.64 104.34 1iqm s THR 95 Ca 0.63 0.01 0.18 0.00 -1.18 0.00 0.00 61.69 61.33 1iqm s THR 95 Cb -0.36 -0.84 0.21 0.00 1.34 0.00 0.00 72.50 72.84 1iqm s THR 95 CO 0.45 0.00 2.01 0.07 -0.54 0.00 0.00 174.62 176.61 1iqm h LYS 96 N 5.47 0.00 -0.80 3.99 -0.00 -1.96 0.23 116.57 123.51 1iqm h LYS 96 Ca -0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.34 1iqm h LYS 96 Cb 1.17 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 33.37 1iqm h LYS 96 CO 0.14 0.18 0.40 1.05 -0.00 0.00 0.00 179.45 181.22 1iqm h GLU 97 N 0.00 1.13 0.00 0.07 9.09 -1.99 -3.29 114.58 119.59 1iqm h GLU 97 Ca -0.00 -0.15 0.00 0.00 0.05 0.00 0.00 59.36 59.26 1iqm h GLU 97 Cb 0.34 -0.21 0.00 0.00 -1.65 0.00 0.00 28.75 27.23 1iqm h GLU 97 CO 0.02 0.86 -1.46 0.25 0.05 0.00 0.00 179.01 178.74 1iqm n THR 98 N -4.38 0.00 -1.74 -1.06 -2.24 -1.14 -4.99 114.28 98.73 1iqm n THR 98 Ca 0.07 -0.28 -0.18 0.00 -2.27 0.00 0.00 64.05 61.39 1iqm n THR 98 Cb 0.12 0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 68.59 1iqm n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1iqm n TYR 99 N -1.86 -0.22 -3.11 4.78 4.02 0.80 -4.95 117.16 116.62 1iqm n TYR 99 Ca -0.02 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.49 1iqm n TYR 99 Cb 0.31 -3.26 -0.06 0.00 -0.02 0.00 0.00 39.34 36.31 1iqm n TYR 99 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1iqm s ASP 100 N -2.65 7.19 -0.69 7.72 2.15 -1.25 -3.66 116.67 125.48 1iqm s ASP 100 Ca 0.00 1.45 -0.04 0.00 0.43 0.00 0.00 52.55 54.39 1iqm s ASP 100 Cb 0.00 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1iqm s ASP 100 CO 0.00 0.19 0.60 0.49 -0.17 0.00 0.00 175.17 176.28 1iqm n PHE 101 N 1.40 -1.46 -2.66 -5.34 3.01 -1.26 -3.64 117.46 107.51 1iqm n PHE 101 Ca -0.06 0.52 -0.43 0.00 1.01 0.00 0.00 57.45 58.49 1iqm n PHE 101 Cb 0.50 -3.13 -0.01 0.00 -0.01 0.00 0.00 39.48 36.84 1iqm n PHE 101 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1iqm s ASP 102 N -3.21 6.82 0.01 4.37 2.15 -1.24 -4.35 116.67 121.22 1iqm s ASP 102 Ca 0.28 -2.37 -0.27 0.00 0.43 0.00 0.00 52.55 50.62 1iqm s ASP 102 Cb -0.12 -2.54 0.06 0.00 -0.30 0.00 0.00 42.92 40.02 1iqm s ASP 102 CO 0.38 -1.14 0.61 -0.51 -0.17 0.00 0.00 175.17 174.33 1iqm s ILE 103 N 3.81 0.01 -0.11 4.11 2.07 -1.26 -4.30 121.20 125.52 1iqm s ILE 103 Ca 0.50 -0.08 -0.30 0.00 -1.41 0.00 0.00 60.65 59.35 1iqm s ILE 103 Cb 0.02 -0.97 0.10 0.00 0.13 0.00 0.00 42.46 41.74 1iqm s ILE 103 CO 0.03 -0.04 0.87 0.00 -1.91 0.00 0.00 174.94 173.88 1iqm s ALA 104 N -1.86 -1.86 -0.04 1.50 0.00 0.11 -3.36 121.76 116.25 1iqm s ALA 104 Ca -0.08 1.47 0.07 0.00 0.00 0.00 0.00 51.96 53.41 1iqm s ALA 104 Cb -0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 1iqm s ALA 104 CO 0.04 -0.34 -0.24 0.08 0.00 0.00 0.00 175.76 175.30 1iqm s VAL 105 N -1.19 2.20 -0.16 0.00 1.01 -0.43 -0.71 120.40 121.12 1iqm s VAL 105 Ca -0.05 -1.04 -0.02 0.00 0.00 0.00 0.00 61.98 60.86 1iqm s VAL 105 Cb -0.00 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 1iqm s VAL 105 CO 0.05 0.58 -0.07 -0.76 0.00 0.00 0.00 175.10 174.89 1iqm s LEU 106 N -0.44 2.99 -0.34 3.92 1.43 0.25 -0.50 118.68 125.98 1iqm s LEU 106 Ca 0.05 -0.25 -0.15 0.00 -1.03 0.00 0.00 54.13 52.74 1iqm s LEU 106 Cb -0.12 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 1iqm s LEU 106 CO 0.01 0.13 0.37 -0.60 0.23 0.00 0.00 176.35 176.49 1iqm s ARG 107 N 0.56 3.55 0.39 1.70 6.06 -0.70 -0.64 118.95 129.87 1iqm s ARG 107 Ca -0.05 -0.41 -0.23 0.00 -2.50 0.00 0.00 55.73 52.54 1iqm s ARG 107 Cb -0.15 -3.81 -0.11 0.00 0.06 0.00 0.00 34.95 30.95 1iqm s ARG 107 CO 0.03 -0.54 0.94 -0.51 -2.50 0.00 0.00 175.30 172.72 1iqm s LEU 108 N 2.03 4.09 0.07 -0.88 1.43 0.15 0.10 118.68 125.67 1iqm s LEU 108 Ca 0.12 1.73 -0.18 0.00 -1.03 0.00 0.00 54.13 54.78 1iqm s LEU 108 Cb -0.17 -4.33 -0.11 0.00 0.03 0.00 0.00 46.19 41.62 1iqm s LEU 108 CO 0.12 -0.24 1.40 0.50 0.23 0.00 0.00 176.35 178.36 1iqm h LYS 109 N 2.40 0.51 -6.60 1.70 3.64 -1.58 -3.42 116.57 113.21 1iqm h LYS 109 Ca -0.48 -0.25 -0.68 0.00 -1.27 0.00 0.00 60.65 57.98 1iqm h LYS 109 Cb 1.18 -0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.82 1iqm h LYS 109 CO 0.63 0.82 -0.78 0.95 -2.27 0.00 0.00 179.45 178.79 1iqm s THR 110 N -4.44 3.04 0.52 1.00 -4.23 -1.26 -5.04 115.64 105.23 1iqm s THR 110 Ca -0.13 -1.30 -0.19 0.00 -1.18 0.00 0.00 61.69 58.89 1iqm s THR 110 Cb 0.07 -2.37 -0.07 0.00 1.34 0.00 0.00 72.50 71.48 1iqm s THR 110 CO 0.78 0.19 1.08 -2.16 -0.54 0.00 0.00 174.62 173.97 1iqm s PRO 111 N -1.92 3.56 -0.13 3.99 0.04 -1.26 -4.88 135.00 134.40 1iqm s PRO 111 Ca 0.18 1.44 -0.26 0.00 0.04 0.00 0.00 61.00 62.40 1iqm s PRO 111 Cb -0.11 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 1iqm s PRO 111 CO 0.10 -0.65 0.86 0.42 0.04 0.00 0.00 177.00 177.77 1iqm s ILE 112 N -1.96 4.88 -0.74 0.56 1.01 0.12 -5.00 121.20 120.07 1iqm s ILE 112 Ca 0.69 1.72 -0.25 0.00 0.00 0.00 0.00 60.65 62.82 1iqm s ILE 112 Cb -0.19 -4.17 0.05 0.00 0.01 0.00 0.00 42.46 38.15 1iqm s ILE 112 CO 0.25 0.06 1.17 -0.89 0.00 0.00 0.00 174.94 175.52 1iqm s THR 113 N 1.89 3.99 0.04 2.92 2.01 -1.26 -4.72 115.64 120.52 1iqm s THR 113 Ca 0.41 -0.02 -0.30 0.00 0.31 0.00 0.00 61.69 62.09 1iqm s THR 113 Cb -0.17 -4.84 -0.08 0.00 0.01 0.00 0.00 72.50 67.41 1iqm s THR 113 CO 0.15 -1.71 1.85 -0.36 -0.69 0.00 0.00 174.62 173.87 1iqm s PHE 114 N 4.97 1.69 0.05 4.92 0.08 -1.26 -4.92 117.98 123.51 1iqm s PHE 114 Ca 0.31 -0.18 -0.00 0.00 0.12 0.00 0.00 56.93 57.18 1iqm s PHE 114 Cb -0.11 -4.14 0.00 0.00 -0.57 0.00 0.00 43.02 38.20 1iqm s PHE 114 CO 0.11 -4.95 0.07 2.89 -0.10 0.00 0.00 175.22 173.23 1iqm n ARG 115 N 6.91 0.10 -1.87 0.44 0.00 -0.14 -5.01 116.66 117.09 1iqm n ARG 115 Ca 0.19 -0.43 -0.42 0.00 -0.00 0.00 0.00 57.85 57.19 1iqm n ARG 115 Cb 0.41 0.40 -0.02 0.00 -0.00 0.00 0.00 32.46 33.25 1iqm n ARG 115 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.63 179.04 1iqm s MET 116 N -2.13 4.18 -0.08 2.89 -2.45 -1.26 -1.06 119.30 119.39 1iqm s MET 116 Ca 0.05 2.46 0.00 0.00 -1.25 0.00 0.00 55.69 56.94 1iqm s MET 116 Cb -0.00 -3.08 0.00 0.00 1.25 0.00 0.00 34.83 33.00 1iqm s MET 116 CO 0.03 -0.57 0.00 0.09 1.05 0.00 0.00 175.02 175.62 1iqm n ASN 117 N 2.68 -3.67 -3.43 1.11 4.13 -1.26 -4.92 115.26 109.90 1iqm n ASN 117 Ca 0.09 0.02 -0.18 0.00 1.68 0.00 0.00 54.58 56.20 1iqm n ASN 117 Cb 0.38 -1.24 -0.11 0.00 -1.54 0.00 0.00 39.78 37.28 1iqm n ASN 117 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1iqm s VAL 118 N -1.84 -0.37 0.00 2.41 1.01 -0.22 -3.05 120.40 118.34 1iqm s VAL 118 Ca 0.00 -0.38 -0.28 0.00 0.00 0.00 0.00 61.98 61.32 1iqm s VAL 118 Cb 0.00 -0.89 0.08 0.00 0.00 0.00 0.00 36.38 35.57 1iqm s VAL 118 CO 0.00 -0.39 0.72 0.00 0.00 0.00 0.00 175.10 175.43 1iqm s ALA 119 N 2.35 -1.75 0.53 5.51 0.00 -0.77 -0.96 121.76 126.67 1iqm s ALA 119 Ca 0.09 1.08 -0.14 0.00 0.00 0.00 0.00 51.96 52.98 1iqm s ALA 119 Cb -0.15 0.22 -0.07 0.00 0.00 0.00 0.00 23.12 23.12 1iqm s ALA 119 CO -0.27 -0.51 0.97 -1.25 0.00 0.00 0.00 175.76 174.70 1iqm s PRO 120 N -2.14 3.83 -0.10 0.00 0.04 -1.26 -2.98 135.00 132.39 1iqm s PRO 120 Ca -0.05 0.83 -0.06 0.00 0.04 0.00 0.00 61.00 61.77 1iqm s PRO 120 Cb -0.00 -2.16 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1iqm s PRO 120 CO 0.00 -0.32 0.13 0.00 0.04 0.00 0.00 177.00 176.85 1iqm s ALA 121 N -2.74 3.82 0.32 8.56 0.00 0.13 -4.88 121.76 126.97 1iqm s ALA 121 Ca 0.57 -0.69 -0.28 0.00 0.00 0.00 0.00 51.96 51.56 1iqm s ALA 121 Cb -0.10 -1.89 -0.10 0.00 0.00 0.00 0.00 23.12 21.03 1iqm s ALA 121 CO 0.37 0.64 1.22 0.00 0.00 0.00 0.00 175.76 177.99 1iqm s LEU 123 N -1.77 4.18 0.63 0.00 1.43 -1.26 -1.24 118.68 120.65 1iqm s LEU 123 Ca 0.48 0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 54.04 1iqm s LEU 123 Cb -0.36 -2.43 0.06 0.00 0.03 0.00 0.00 46.19 43.50 1iqm s LEU 123 CO 0.47 -0.01 0.89 -2.16 0.23 0.00 0.00 176.35 175.77 1iqm s PRO 124 N 1.03 2.23 0.24 1.29 0.04 -1.26 -5.00 135.00 133.57 1iqm s PRO 124 Ca 0.17 -0.73 -0.27 0.00 0.04 0.00 0.00 61.00 60.21 1iqm s PRO 124 Cb -0.14 -2.37 -0.09 0.00 0.04 0.00 0.00 34.50 31.94 1iqm s PRO 124 CO 0.06 -1.03 0.87 -2.00 0.04 0.00 0.00 177.00 174.94 1iqm s GLU 124 N -4.98 4.65 0.12 4.56 -6.30 -1.26 -4.97 118.70 110.52 1iqm s GLU 124 Ca 0.60 1.29 -0.25 0.00 -2.50 0.00 0.00 54.97 54.12 1iqm s GLU 124 Cb -0.09 -3.12 -0.06 0.00 0.00 0.00 0.00 34.13 30.86 1iqm s GLU 124 CO 0.41 0.46 1.65 -0.09 0.02 0.00 0.00 175.26 177.72 1iqm h ARG 125 N 3.89 -0.33 0.21 4.30 2.43 -1.98 -1.93 114.38 120.97 1iqm h ARG 125 Ca -0.46 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.72 1iqm h ARG 125 Cb 1.20 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1iqm h ARG 125 CO 0.66 -0.22 -0.10 -0.44 -1.51 0.00 0.00 179.97 178.37 1iqm h ASP 126 N -0.34 -0.24 -0.39 -3.80 3.45 -1.94 -2.44 116.42 110.73 1iqm h ASP 126 Ca 0.06 -0.04 0.07 0.00 0.43 0.00 0.00 57.03 57.55 1iqm h ASP 126 Cb 0.41 0.06 -0.07 0.00 -0.56 0.00 0.00 39.33 39.18 1iqm h ASP 126 CO -0.19 -0.12 -0.02 -0.25 -1.57 0.00 0.00 179.24 177.09 1iqm h TRP 127 N -0.34 -0.07 0.28 4.55 7.01 -1.97 -2.67 115.95 122.73 1iqm h TRP 127 Ca -0.03 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1iqm h TRP 127 Cb 0.26 0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.39 1iqm h TRP 127 CO -0.05 -0.10 -0.29 0.00 -2.79 0.00 0.00 178.44 175.21 1iqm h ALA 128 N 1.36 -0.61 -0.62 2.65 0.00 -1.27 0.28 119.26 121.05 1iqm h ALA 128 Ca 0.19 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.10 1iqm h ALA 128 Cb 0.28 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1iqm h ALA 128 CO -0.34 -0.88 0.42 0.93 0.00 0.00 0.00 179.25 179.38 1iqm h GLU 129 N -0.61 0.47 0.00 0.00 5.08 -1.28 0.44 114.58 118.68 1iqm h GLU 129 Ca -0.01 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 1iqm h GLU 129 Cb 0.56 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1iqm h GLU 129 CO -0.07 0.31 -1.57 -1.13 -1.00 0.00 0.00 179.01 175.55 1iqm n SER 130 N -4.48 0.58 -0.04 1.42 3.41 -1.02 -4.18 113.62 109.32 1iqm n SER 130 Ca 0.10 0.25 -0.06 0.00 -0.26 0.00 0.00 58.87 58.90 1iqm n SER 130 Cb 0.34 0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 64.94 1iqm n SER 130 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1iqm n THR 131 N -2.70 0.41 0.11 6.66 -1.04 0.96 -4.51 114.28 114.16 1iqm n THR 131 Ca -0.10 -0.15 -0.05 0.00 -2.04 0.00 0.00 64.05 61.71 1iqm n THR 131 Cb 0.77 -0.90 -0.03 0.00 -1.82 0.00 0.00 70.33 68.35 1iqm n THR 131 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1iqm h LEU 131 N -0.05 -0.30 0.00 -4.42 4.07 -0.28 -3.29 115.31 111.04 1iqm h LEU 131 Ca -0.17 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.80 1iqm h LEU 131 Cb 1.23 0.08 0.00 0.00 1.08 0.00 0.00 40.66 43.05 1iqm h LEU 131 CO -0.04 0.13 0.00 0.23 -1.08 0.00 0.00 178.44 177.68 1iqm n MET 131 N -4.86 0.53 -0.07 1.13 2.81 -0.09 -2.15 117.12 114.41 1iqm n MET 131 Ca -0.04 0.03 0.12 0.00 -1.81 0.00 0.00 57.70 56.00 1iqm n MET 131 Cb 0.14 -1.50 0.14 0.00 -0.71 0.00 0.00 33.22 31.29 1iqm n MET 131 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1iqm n THR 132 N -1.10 0.18 -1.49 2.03 -2.24 -1.25 -4.92 114.28 105.49 1iqm n THR 132 Ca 0.14 -0.59 -0.30 0.00 -2.27 0.00 0.00 64.05 61.03 1iqm n THR 132 Cb 0.10 1.31 0.11 0.00 -2.10 0.00 0.00 70.33 69.75 1iqm n THR 132 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1iqm s GLN 133 N -1.79 1.79 0.03 -0.78 2.00 -0.91 -4.98 119.66 115.01 1iqm s GLN 133 Ca 0.31 0.61 -0.21 0.00 -2.00 0.00 0.00 55.36 54.07 1iqm s GLN 133 Cb 0.21 -1.89 -0.16 0.00 0.80 0.00 0.00 33.01 31.97 1iqm s GLN 133 CO 0.30 -1.82 1.28 0.87 -0.50 0.00 0.00 175.29 175.43 1iqm h LYS 134 N -1.23 0.34 -5.24 1.67 1.79 -1.91 -3.43 116.57 108.56 1iqm h LYS 134 Ca -0.48 -0.21 -0.56 0.00 -2.18 0.00 0.00 60.65 57.22 1iqm h LYS 134 Cb 1.28 0.02 -0.13 0.00 -1.58 0.00 0.00 32.23 31.82 1iqm h LYS 134 CO 0.59 0.80 -0.56 0.95 -1.08 0.00 0.00 179.45 180.14 1iqm s THR 135 N -4.06 1.16 0.19 -0.16 -4.23 -1.26 -0.35 115.64 106.93 1iqm s THR 135 Ca -0.14 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.31 1iqm s THR 135 Cb 0.05 -2.59 -0.03 0.00 1.34 0.00 0.00 72.50 71.27 1iqm s THR 135 CO 0.76 0.00 0.23 -0.83 -0.54 0.00 0.00 174.62 174.24 1iqm s GLY 136 N -3.63 0.95 -0.09 3.99 0.00 -0.77 -4.68 107.32 103.10 1iqm s GLY 136 Ca 0.27 -1.30 0.04 0.00 0.00 0.00 0.00 44.72 43.73 1iqm s GLY 136 CO 0.13 -1.09 -0.21 -0.42 0.00 0.00 0.00 173.10 171.51 1iqm s ILE 137 N -4.07 2.33 0.06 0.90 -1.09 0.35 -0.55 121.20 119.13 1iqm s ILE 137 Ca 0.28 -0.94 0.08 0.00 -2.23 0.00 0.00 60.65 57.85 1iqm s ILE 137 Cb 0.04 -1.90 -0.03 0.00 -1.58 0.00 0.00 42.46 38.99 1iqm s ILE 137 CO 0.07 0.56 -0.22 0.54 -1.23 0.00 0.00 174.94 174.65 1iqm s VAL 138 N 0.15 1.81 0.15 2.92 0.11 -0.48 -0.55 120.40 124.50 1iqm s VAL 138 Ca -0.12 -1.33 -0.10 0.00 -2.93 0.00 0.00 61.98 57.50 1iqm s VAL 138 Cb -0.16 -1.58 0.00 0.00 -1.53 0.00 0.00 36.38 33.11 1iqm s VAL 138 CO 0.06 0.18 0.29 -0.94 -3.33 0.00 0.00 175.10 171.37 1iqm s SER 139 N -1.37 0.01 0.00 3.54 1.04 -1.22 0.78 113.70 116.47 1iqm s SER 139 Ca 0.09 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.78 1iqm s SER 139 Cb -0.09 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1iqm s SER 139 CO 0.03 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.99 1iqm n GLY 140 N -0.19 1.44 1.26 7.32 0.00 -1.04 -4.25 105.19 109.72 1iqm n GLY 140 Ca -0.10 -0.99 0.09 0.00 0.00 0.00 0.00 46.02 45.01 1iqm n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1iqm n PHE 141 N -0.63 1.05 -0.88 1.61 3.72 -1.26 -2.33 117.46 118.74 1iqm n PHE 141 Ca 0.00 -0.45 -0.30 0.00 -0.05 0.00 0.00 57.45 56.65 1iqm n PHE 141 Cb 0.00 -0.12 0.24 0.00 -0.94 0.00 0.00 39.48 38.66 1iqm n PHE 141 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1iqm s GLY 142 N -0.90 1.54 0.30 1.37 0.00 -1.26 -0.44 107.32 107.93 1iqm s GLY 142 Ca 0.41 -0.75 -0.29 0.00 0.00 0.00 0.00 44.72 44.10 1iqm s GLY 142 CO 0.23 0.11 1.15 0.54 0.00 0.00 0.00 173.10 175.13 1iqm n ARG 143 N -4.89 1.67 -0.22 2.90 1.74 -0.41 -2.66 116.66 114.79 1iqm n ARG 143 Ca 0.11 0.59 0.10 0.00 -0.77 0.00 0.00 57.85 57.87 1iqm n ARG 143 Cb 0.59 -2.06 0.26 0.00 -1.02 0.00 0.00 32.46 30.23 1iqm n ARG 143 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1iqm n THR 144 N 0.48 0.57 -3.54 0.55 -2.24 -1.26 0.97 114.28 109.81 1iqm n THR 144 Ca 0.08 -0.66 -0.18 0.00 -2.27 0.00 0.00 64.05 61.03 1iqm n THR 144 Cb 0.33 0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 69.00 1iqm n THR 144 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1iqm s HIS 145 N -1.43 -0.61 0.55 4.78 5.65 -1.26 -4.36 115.29 118.61 1iqm s HIS 145 Ca 0.36 1.05 0.25 0.00 0.25 0.00 0.00 55.06 56.97 1iqm s HIS 145 Cb 0.20 0.38 1.47 0.00 -1.18 0.00 0.00 32.58 33.45 1iqm s HIS 145 CO 0.27 -0.59 2.06 1.05 -0.65 0.00 0.00 174.74 176.88 1iqm h GLU 147 N 3.10 0.00 0.00 2.88 9.09 -1.89 -3.09 114.58 124.67 1iqm h GLU 147 Ca -0.27 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.14 1iqm h GLU 147 Cb 1.14 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.24 1iqm h GLU 147 CO 0.39 0.00 -1.23 1.63 0.05 0.00 0.00 179.01 179.85 1iqm n LYS 148 N -4.17 0.35 0.00 1.06 5.02 -1.26 -5.00 118.16 114.16 1iqm n LYS 148 Ca 0.04 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1iqm n LYS 148 Cb 0.40 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 1iqm n LYS 148 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iqm n GLY 149 N 2.14 -3.51 3.82 0.72 0.00 -1.17 -5.05 105.19 102.15 1iqm n GLY 149 Ca -0.01 -1.18 -0.22 0.00 0.00 0.00 0.00 46.02 44.60 1iqm n GLY 149 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1iqm s ARG 150 N -0.58 2.43 0.27 1.61 1.70 -1.26 -4.91 118.95 118.22 1iqm s ARG 150 Ca 0.00 -1.62 -0.29 0.00 -0.47 0.00 0.00 55.73 53.35 1iqm s ARG 150 Cb 0.00 -2.24 -0.14 0.00 -0.57 0.00 0.00 34.95 32.00 1iqm s ARG 150 CO 0.00 -0.12 1.17 0.94 -1.08 0.00 0.00 175.30 176.21 1iqm n GLN 151 N -1.40 1.63 -2.38 3.89 -0.06 -1.26 -4.00 117.38 113.80 1iqm n GLN 151 Ca 0.01 0.58 -0.35 0.00 -2.00 0.00 0.00 57.00 55.24 1iqm n GLN 151 Cb 0.62 -2.07 -0.01 0.00 -4.06 0.00 0.00 30.24 24.72 1iqm n GLN 151 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1iqm s SER 152 N -0.26 6.00 -0.04 1.69 0.15 0.42 -4.85 113.70 116.80 1iqm s SER 152 Ca 0.62 2.08 0.14 0.00 0.70 0.00 0.00 55.95 59.49 1iqm s SER 152 Cb -0.68 -2.57 -0.22 0.00 -1.71 0.00 0.00 66.02 60.84 1iqm s SER 152 CO 0.57 -1.03 0.64 0.41 1.20 0.00 0.00 173.24 175.04 1iqm n THR 153 N -1.12 1.52 -4.02 6.45 -1.04 -1.26 -4.74 114.28 110.06 1iqm n THR 153 Ca 0.10 -0.78 -0.33 0.00 -2.04 0.00 0.00 64.05 61.00 1iqm n THR 153 Cb 0.51 -0.94 -0.06 0.00 -1.82 0.00 0.00 70.33 68.02 1iqm n THR 153 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1iqm s ARG 154 N -2.65 3.21 -0.19 -2.82 1.81 -1.26 -0.66 118.95 116.39 1iqm s ARG 154 Ca -0.05 -0.41 -0.29 0.00 -1.72 0.00 0.00 55.73 53.26 1iqm s ARG 154 Cb 0.08 -2.95 -0.00 0.00 -0.45 0.00 0.00 34.95 31.62 1iqm s ARG 154 CO 0.82 0.66 1.16 -1.17 -0.68 0.00 0.00 175.30 176.10 1iqm s LEU 155 N -1.77 4.15 0.37 2.53 2.96 -0.65 -4.67 118.68 121.61 1iqm s LEU 155 Ca 0.24 1.56 0.07 0.00 -0.22 0.00 0.00 54.13 55.78 1iqm s LEU 155 Cb -0.12 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.02 1iqm s LEU 155 CO 0.15 -0.71 0.42 -0.54 -1.32 0.00 0.00 176.35 174.35 1iqm s LYS 156 N 3.31 2.80 0.00 1.98 1.02 -0.98 -0.84 119.74 127.02 1iqm s LYS 156 Ca 0.50 -1.27 -0.01 0.00 0.02 0.00 0.00 55.97 55.21 1iqm s LYS 156 Cb -0.19 -2.60 -0.01 0.00 -0.52 0.00 0.00 37.83 34.52 1iqm s LYS 156 CO 0.11 -0.06 0.01 0.00 -0.92 0.00 0.00 175.35 174.49 1iqm s MET 157 N -4.15 0.18 -0.03 1.68 0.23 0.59 -2.51 119.30 115.29 1iqm s MET 157 Ca 0.47 -0.26 -0.01 0.00 -1.03 0.00 0.00 55.69 54.86 1iqm s MET 157 Cb -0.07 0.07 0.03 0.00 -1.53 0.00 0.00 34.83 33.33 1iqm s MET 157 CO 0.29 -0.03 0.04 -1.17 -2.03 0.00 0.00 175.02 172.12 1iqm s LEU 158 N -0.68 0.70 -0.26 0.18 0.20 0.23 -1.51 118.68 117.55 1iqm s LEU 158 Ca -0.08 0.05 -0.29 0.00 0.69 0.00 0.00 54.13 54.51 1iqm s LEU 158 Cb -0.05 -0.11 0.01 0.00 -0.43 0.00 0.00 46.19 45.61 1iqm s LEU 158 CO -0.00 -0.18 1.10 -0.70 -0.29 0.00 0.00 176.35 176.28 1iqm s GLU 159 N 1.52 4.17 -0.22 1.98 2.12 -1.26 -1.39 118.70 125.61 1iqm s GLU 159 Ca -0.03 1.30 0.02 0.00 0.36 0.00 0.00 54.97 56.61 1iqm s GLU 159 Cb -0.13 -3.70 0.04 0.00 0.26 0.00 0.00 34.13 30.60 1iqm s GLU 159 CO -0.03 -0.76 -0.14 0.14 -0.54 0.00 0.00 175.26 173.93 1iqm s VAL 160 N 3.47 2.04 0.53 3.70 -7.23 0.29 -4.94 120.40 118.26 1iqm s VAL 160 Ca 0.47 -1.30 -0.22 0.00 -1.81 0.00 0.00 61.98 59.12 1iqm s VAL 160 Cb -0.15 -2.04 -0.05 0.00 0.56 0.00 0.00 36.38 34.70 1iqm s VAL 160 CO 0.11 0.20 1.33 -2.16 -0.31 0.00 0.00 175.10 174.27 1iqm s PRO 161 N 1.21 3.23 0.57 4.82 0.04 -1.26 -1.84 135.00 141.78 1iqm s PRO 161 Ca -0.03 2.18 -0.19 0.00 0.04 0.00 0.00 61.00 63.00 1iqm s PRO 161 Cb -0.17 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 1iqm s PRO 161 CO -0.08 -1.10 1.16 0.71 0.04 0.00 0.00 177.00 177.73 1iqm s TYR 162 N -1.33 2.55 -0.16 0.56 2.02 0.53 -2.24 117.35 119.28 1iqm s TYR 162 Ca 0.70 1.53 -0.01 0.00 -0.37 0.00 0.00 57.07 58.93 1iqm s TYR 162 Cb -0.39 -3.36 -0.01 0.00 -0.40 0.00 0.00 41.96 37.80 1iqm s TYR 162 CO 0.46 -1.84 -0.11 0.08 -1.57 0.00 0.00 175.55 172.58 1iqm s VAL 163 N -1.75 3.13 -0.32 0.71 1.01 -0.77 -4.87 120.40 117.54 1iqm s VAL 163 Ca 0.74 -0.62 -0.43 0.00 0.00 0.00 0.00 61.98 61.67 1iqm s VAL 163 Cb -0.26 -2.35 -0.19 0.00 0.00 0.00 0.00 36.38 33.59 1iqm s VAL 163 CO 0.31 0.50 1.52 -0.67 0.00 0.00 0.00 175.10 176.76 1iqm n ASP 164 N 3.91 1.31 -0.06 3.32 -0.08 -1.26 -4.58 116.55 119.11 1iqm n ASP 164 Ca -0.18 1.15 0.25 0.00 -1.51 0.00 0.00 54.79 54.50 1iqm n ASP 164 Cb 0.52 -0.97 0.67 0.00 2.34 0.00 0.00 41.12 43.68 1iqm n ASP 164 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1iqm h ARG 165 N 5.14 0.00 0.10 -0.67 2.43 -1.96 -2.13 114.38 117.29 1iqm h ARG 165 Ca -0.46 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1iqm h ARG 165 Cb 1.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 1iqm h ARG 165 CO 0.90 0.00 -0.05 -0.91 -1.51 0.00 0.00 179.97 178.40 1iqm h ASN 166 N 0.00 -0.11 -0.92 -3.80 4.21 -2.01 -3.10 115.58 109.85 1iqm h ASN 166 Ca 0.33 -0.33 0.23 0.00 1.21 0.00 0.00 56.30 57.74 1iqm h ASN 166 Cb 1.76 0.03 -0.13 0.00 -1.12 0.00 0.00 38.32 38.87 1iqm h ASN 166 CO -0.00 0.50 0.44 0.28 -1.29 0.00 0.00 177.43 177.36 1iqm h SER 167 N -0.97 0.41 -0.08 5.81 0.02 -1.76 -0.36 113.55 116.62 1iqm h SER 167 Ca -0.01 0.15 0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1iqm h SER 167 Cb 0.43 0.11 -0.06 0.00 0.14 0.00 0.00 62.40 63.03 1iqm h SER 167 CO 0.02 0.02 -0.45 0.00 -1.14 0.00 0.00 176.83 175.28 1iqm h LYS 169 N -0.56 0.05 0.25 0.00 1.57 -1.02 -1.17 116.57 115.69 1iqm h LYS 169 Ca 0.05 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1iqm h LYS 169 Cb 0.66 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 1iqm h LYS 169 CO -0.38 0.03 -0.26 -0.07 -0.57 0.00 0.00 179.45 178.20 1iqm h LEU 170 N 0.05 -0.72 -1.27 2.94 3.38 -0.93 -2.88 115.31 115.89 1iqm h LEU 170 Ca 0.05 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1iqm h LEU 170 Cb 0.06 0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1iqm h LEU 170 CO -0.08 -0.38 0.47 0.77 0.09 0.00 0.00 178.44 179.31 1iqm h SER 171 N -0.55 0.84 -3.97 -0.43 4.64 -0.83 -3.44 113.55 109.80 1iqm h SER 171 Ca -0.00 -0.03 -0.52 0.00 -0.47 0.00 0.00 61.79 60.77 1iqm h SER 171 Cb 0.52 -0.21 0.08 0.00 -0.31 0.00 0.00 62.40 62.48 1iqm h SER 171 CO -0.07 0.62 0.57 -0.55 -0.87 0.00 0.00 176.83 176.53 1iqm s SER 172 N -6.39 6.17 0.00 4.97 0.15 -0.45 -4.82 113.70 113.33 1iqm s SER 172 Ca -0.11 2.54 0.25 0.00 0.70 0.00 0.00 55.95 59.34 1iqm s SER 172 Cb 0.18 -2.63 0.63 0.00 -1.71 0.00 0.00 66.02 62.48 1iqm s SER 172 CO 0.78 -0.93 1.50 -1.20 1.20 0.00 0.00 173.24 174.59 1iqm n SER 173 N -0.17 2.30 -4.24 5.45 7.64 -1.26 -4.93 113.62 118.41 1iqm n SER 173 Ca 0.05 -1.77 -0.13 0.00 1.01 0.00 0.00 58.87 58.03 1iqm n SER 173 Cb 0.45 -0.04 -0.10 0.00 -1.01 0.00 0.00 64.21 63.51 1iqm n SER 173 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1iqm s PHE 174 N -1.91 1.22 -0.38 1.43 0.08 -1.26 -5.09 117.98 112.07 1iqm s PHE 174 Ca 0.34 -1.09 -0.28 0.00 0.12 0.00 0.00 56.93 56.03 1iqm s PHE 174 Cb 0.20 -0.69 -0.04 0.00 -0.57 0.00 0.00 43.02 41.93 1iqm s PHE 174 CO 0.31 -0.29 2.02 0.42 -0.10 0.00 0.00 175.22 177.58 1iqm s ILE 175 N -3.74 3.26 -0.73 0.64 -1.09 -1.26 -4.91 121.20 113.36 1iqm s ILE 175 Ca 0.27 0.23 -0.27 0.00 -2.23 0.00 0.00 60.65 58.65 1iqm s ILE 175 Cb 0.07 -3.43 0.02 0.00 -1.58 0.00 0.00 42.46 37.54 1iqm s ILE 175 CO 0.06 -0.33 1.36 -0.63 -1.23 0.00 0.00 174.94 174.16 1iqm s ILE 176 N 8.56 3.68 0.97 2.92 1.09 -1.26 -4.99 121.20 132.17 1iqm s ILE 176 Ca 0.86 0.36 -0.12 0.00 -1.10 0.00 0.00 60.65 60.64 1iqm s ILE 176 Cb -0.22 -4.79 0.17 0.00 -1.06 0.00 0.00 42.46 36.56 1iqm s ILE 176 CO 0.30 -1.74 1.10 0.42 -0.10 0.00 0.00 174.94 174.92 1iqm s THR 177 N 6.17 2.17 -1.26 2.92 -4.23 -1.26 -4.91 115.64 115.24 1iqm s THR 177 Ca 0.39 0.05 0.14 0.00 -1.18 0.00 0.00 61.69 61.10 1iqm s THR 177 Cb -0.08 -2.57 0.19 0.00 1.34 0.00 0.00 72.50 71.38 1iqm s THR 177 CO 0.15 -0.07 1.40 0.00 -0.54 0.00 0.00 174.62 175.56 1iqm n GLN 178 N -4.09 0.12 -0.93 3.99 10.64 -1.26 -1.87 117.38 123.98 1iqm n GLN 178 Ca 0.06 0.20 0.03 0.00 -1.83 0.00 0.00 57.00 55.45 1iqm n GLN 178 Cb 0.57 -1.50 0.37 0.00 -0.86 0.00 0.00 30.24 28.82 1iqm n GLN 178 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1iqm n ASN 179 N -1.37 5.43 -4.08 2.61 3.02 -1.26 -4.88 115.26 114.72 1iqm n ASN 179 Ca 0.05 -3.00 -0.10 0.00 -0.03 0.00 0.00 54.58 51.50 1iqm n ASN 179 Cb 0.13 -0.70 -0.08 0.00 -0.61 0.00 0.00 39.78 38.51 1iqm n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1iqm s MET 180 N -2.80 1.21 0.16 3.52 -1.94 -0.78 -1.68 119.30 116.98 1iqm s MET 180 Ca 0.54 -1.39 -0.23 0.00 -1.71 0.00 0.00 55.69 52.90 1iqm s MET 180 Cb 0.42 0.33 0.07 0.00 2.01 0.00 0.00 34.83 37.66 1iqm s MET 180 CO 0.15 -0.43 0.59 -0.59 -0.01 0.00 0.00 175.02 174.73 1iqm s PHE 181 N -4.06 -0.52 0.08 -0.03 -0.12 -0.14 -4.71 117.98 108.48 1iqm s PHE 181 Ca 0.27 0.30 0.02 0.00 -0.05 0.00 0.00 56.93 57.47 1iqm s PHE 181 Cb 0.05 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 42.93 1iqm s PHE 181 CO 0.06 -0.84 0.11 0.00 -0.05 0.00 0.00 175.22 174.50 1iqm s ALA 183 N -1.42 -1.52 0.00 0.00 0.00 -0.55 -1.85 121.76 116.43 1iqm s ALA 183 Ca 0.31 1.66 0.00 0.00 0.00 0.00 0.00 51.96 53.93 1iqm s ALA 183 Cb -0.12 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.09 1iqm s ALA 183 CO 0.23 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.11 1iqm n GLY 184 N 2.58 0.53 3.20 0.00 0.00 -0.95 -1.08 105.19 109.47 1iqm n GLY 184 Ca -0.14 -1.44 -0.14 0.00 0.00 0.00 0.00 46.02 44.29 1iqm n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iqm s TYR 185 N -4.00 1.14 -0.14 1.61 2.02 -1.26 -4.11 117.35 112.61 1iqm s TYR 185 Ca 0.00 -0.68 -0.23 0.00 -0.37 0.00 0.00 57.07 55.78 1iqm s TYR 185 Cb 0.00 -0.61 -0.21 0.00 -0.40 0.00 0.00 41.96 40.74 1iqm s TYR 185 CO 0.00 0.03 0.59 0.22 -1.57 0.00 0.00 175.55 174.82 1iqm h ASP 185 N 3.34 0.00 0.00 2.29 -0.00 -1.91 -3.43 116.42 116.70 1iqm h ASP 185 Ca -0.37 -0.78 -0.28 0.00 -0.00 0.00 0.00 57.03 55.60 1iqm h ASP 185 Cb 1.19 0.00 -0.04 0.00 -0.00 0.00 0.00 39.33 40.48 1iqm h ASP 185 CO 0.56 0.95 -1.87 0.35 -0.00 0.00 0.00 179.24 179.23 1iqm n THR 185 N -4.63 1.24 -1.31 2.25 -2.24 -1.26 -1.21 114.28 107.12 1iqm n THR 185 Ca -0.10 -0.18 -0.45 0.00 -2.27 0.00 0.00 64.05 61.05 1iqm n THR 185 Cb 0.41 -1.88 -0.03 0.00 -2.10 0.00 0.00 70.33 66.73 1iqm n THR 185 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1iqm n LYS 186 N -4.02 0.00 -2.49 -0.78 5.02 -1.26 -4.71 118.16 109.91 1iqm n LYS 186 Ca -0.35 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.51 1iqm n LYS 186 Cb 0.71 -0.94 0.00 0.00 -0.02 0.00 0.00 35.03 34.78 1iqm n LYS 186 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1iqm n GLN 187 N 0.96 3.42 -3.71 1.97 1.13 -1.26 -4.74 117.38 115.16 1iqm n GLN 187 Ca 0.17 -3.52 -0.11 0.00 -1.94 0.00 0.00 57.00 51.60 1iqm n GLN 187 Cb 0.24 -3.05 -0.11 0.00 0.11 0.00 0.00 30.24 27.44 1iqm n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1iqm s GLU 188 N 1.39 0.41 0.00 -1.09 2.02 -1.26 -3.94 118.70 116.23 1iqm s GLU 188 Ca 0.43 0.73 0.00 0.00 0.02 0.00 0.00 54.97 56.14 1iqm s GLU 188 Cb 0.06 0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.33 1iqm s GLU 188 CO 0.00 -0.13 0.00 -3.47 0.02 0.00 0.00 175.26 171.68 1iqm n ASP 189 N 3.88 0.00 -3.09 -0.19 2.03 -1.14 -4.22 116.55 113.81 1iqm n ASP 189 Ca -0.21 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 54.94 1iqm n ASP 189 Cb 0.56 0.00 0.14 0.00 -0.72 0.00 0.00 41.12 41.09 1iqm n ASP 189 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iqm n ALA 190 N -0.45 -1.72 -3.00 -1.67 0.00 -1.26 -1.13 120.51 111.27 1iqm n ALA 190 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1iqm n ALA 190 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.39 1iqm n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iqm s GLN 192 N -1.30 3.40 0.00 0.00 0.74 -1.26 -2.26 119.66 118.98 1iqm s GLN 192 Ca 0.00 2.20 0.00 0.00 0.05 0.00 0.00 55.36 57.61 1iqm s GLN 192 Cb 0.00 -2.39 0.00 0.00 1.10 0.00 0.00 33.01 31.72 1iqm s GLN 192 CO 0.00 -0.97 0.00 0.41 -0.55 0.00 0.00 175.29 174.18 1iqm n GLY 193 N 0.65 3.07 0.14 2.59 0.00 -1.26 -1.28 105.19 109.10 1iqm n GLY 193 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.13 1iqm n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1iqm h ASP 194 N 0.00 0.00 -3.09 1.61 3.45 -1.72 -3.27 116.42 113.40 1iqm h ASP 194 Ca 0.00 0.00 -0.58 0.00 0.43 0.00 0.00 57.03 56.88 1iqm h ASP 194 Cb 0.00 0.00 0.16 0.00 -0.56 0.00 0.00 39.33 38.93 1iqm h ASP 194 CO 0.00 0.50 -0.22 -1.20 -1.57 0.00 0.00 179.24 176.75 1iqm n SER 195 N -3.27 -0.39 0.00 6.45 7.64 -1.26 -1.30 113.62 121.50 1iqm n SER 195 Ca 0.02 0.79 0.00 0.00 1.01 0.00 0.00 58.87 60.68 1iqm n SER 195 Cb 0.71 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 1iqm n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iqm n GLY 196 N 1.61 3.11 3.33 0.23 0.00 0.24 -0.75 105.19 112.96 1iqm n GLY 196 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1iqm n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iqm s GLY 197 N -1.65 1.43 0.06 -0.02 0.00 -0.42 -2.91 107.32 103.81 1iqm s GLY 197 Ca 0.00 -0.74 -0.21 0.00 0.00 0.00 0.00 44.72 43.77 1iqm s GLY 197 CO 0.00 0.24 0.63 2.56 0.00 0.00 0.00 173.10 176.53 1iqm s PRO 198 N -5.00 4.33 -0.29 2.90 0.04 -1.26 -2.39 135.00 133.33 1iqm s PRO 198 Ca 0.69 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1iqm s PRO 198 Cb -0.15 -3.29 0.06 0.00 0.04 0.00 0.00 34.50 31.16 1iqm s PRO 198 CO 0.59 0.50 -0.04 -1.58 0.04 0.00 0.00 177.00 176.51 1iqm s HIS 199 N -0.71 3.28 0.14 0.56 2.46 -0.18 -3.39 115.29 117.45 1iqm s HIS 199 Ca 0.32 -2.07 0.11 0.00 0.47 0.00 0.00 55.06 53.89 1iqm s HIS 199 Cb -0.20 -2.07 -0.04 0.00 -0.13 0.00 0.00 32.58 30.14 1iqm s HIS 199 CO 0.20 -0.84 -0.25 0.14 -2.47 0.00 0.00 174.74 171.52 1iqm s VAL 200 N 1.19 2.34 0.05 0.89 -7.23 0.28 -0.14 120.40 117.78 1iqm s VAL 200 Ca -0.06 -1.80 0.08 0.00 -1.81 0.00 0.00 61.98 58.38 1iqm s VAL 200 Cb -0.20 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.65 1iqm s VAL 200 CO -0.03 0.04 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.73 1iqm s THR 201 N -1.22 2.76 -0.16 5.32 2.01 -0.25 0.13 115.64 124.24 1iqm s THR 201 Ca 0.16 -1.25 -0.06 0.00 0.31 0.00 0.00 61.69 60.84 1iqm s THR 201 Cb -0.10 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 1iqm s THR 201 CO 0.07 0.30 0.05 -0.60 -0.69 0.00 0.00 174.62 173.75 1iqm s ARG 202 N -1.55 3.75 -0.30 4.92 3.52 -1.26 -0.98 118.95 127.05 1iqm s ARG 202 Ca 0.15 -0.35 -0.03 0.00 -0.13 0.00 0.00 55.73 55.37 1iqm s ARG 202 Cb -0.10 -3.12 0.11 0.00 -1.56 0.00 0.00 34.95 30.28 1iqm s ARG 202 CO 0.06 0.38 0.16 0.12 -0.81 0.00 0.00 175.30 175.21 1iqm s PHE 203 N 0.05 0.33 -0.91 5.12 5.36 -0.11 -4.91 117.98 122.91 1iqm s PHE 203 Ca 0.05 -0.98 -0.01 0.00 -0.96 0.00 0.00 56.93 55.03 1iqm s PHE 203 Cb -0.12 -0.86 -0.01 0.00 -0.34 0.00 0.00 43.02 41.68 1iqm s PHE 203 CO 0.01 -0.84 0.77 1.63 -1.46 0.00 0.00 175.22 175.33 1iqm n LYS 204 N 5.00 -4.29 -0.39 10.12 5.02 -1.26 -2.94 118.16 129.42 1iqm n LYS 204 Ca -0.02 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 1iqm n LYS 204 Cb 0.41 -5.09 0.00 0.00 -0.02 0.00 0.00 35.03 30.33 1iqm n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1iqm n ASP 205 N -2.73 0.00 -4.53 4.39 8.00 -1.26 -4.97 116.55 115.45 1iqm n ASP 205 Ca -0.18 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 54.98 1iqm n ASP 205 Cb 0.62 -0.92 -0.12 0.00 -0.02 0.00 0.00 41.12 40.68 1iqm n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1iqm s THR 206 N -2.36 3.98 0.04 -3.53 2.01 -1.15 -5.11 115.64 109.52 1iqm s THR 206 Ca 0.00 -0.33 -0.03 0.00 0.31 0.00 0.00 61.69 61.63 1iqm s THR 206 Cb 0.00 -2.73 -0.04 0.00 0.01 0.00 0.00 72.50 69.73 1iqm s THR 206 CO 0.00 0.51 0.25 -0.31 -0.69 0.00 0.00 174.62 174.38 1iqm s TYR 207 N 0.14 3.54 -0.01 4.92 1.51 -1.26 -0.93 117.35 125.25 1iqm s TYR 207 Ca -0.01 0.42 0.05 0.00 -1.01 0.00 0.00 57.07 56.52 1iqm s TYR 207 Cb -0.13 -1.89 -0.01 0.00 -0.11 0.00 0.00 41.96 39.82 1iqm s TYR 207 CO 0.03 0.58 -0.15 -0.06 -1.11 0.00 0.00 175.55 174.84 1iqm s PHE 208 N -1.43 1.35 0.16 2.71 0.08 -0.15 -3.13 117.98 117.57 1iqm s PHE 208 Ca 0.32 -0.26 -0.31 0.00 0.12 0.00 0.00 56.93 56.81 1iqm s PHE 208 Cb -0.13 -0.87 -0.08 0.00 -0.57 0.00 0.00 43.02 41.37 1iqm s PHE 208 CO 0.22 -0.02 1.34 0.08 -0.10 0.00 0.00 175.22 176.73 1iqm s VAL 209 N -0.36 3.30 0.00 -0.44 1.01 -0.37 -1.09 120.40 122.44 1iqm s VAL 209 Ca 0.06 1.00 0.00 0.00 0.00 0.00 0.00 61.98 63.03 1iqm s VAL 209 Cb -0.06 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1iqm s VAL 209 CO -0.01 0.11 0.00 0.35 0.00 0.00 0.00 175.10 175.56 1iqm n THR 210 N 3.26 0.00 -3.76 3.92 -2.24 0.80 -4.60 114.28 111.65 1iqm n THR 210 Ca 0.09 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.77 1iqm n THR 210 Cb 0.43 -0.16 -0.04 0.00 -2.10 0.00 0.00 70.33 68.46 1iqm n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1iqm s GLY 211 N -1.52 -0.06 -0.22 3.38 0.00 -0.63 -1.48 107.32 106.80 1iqm s GLY 211 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.46 1iqm s GLY 211 CO 0.00 -0.27 -0.13 -0.42 0.00 0.00 0.00 173.10 172.28 1iqm s ILE 212 N -3.88 2.42 -0.58 0.90 1.01 -1.00 -1.01 121.20 119.06 1iqm s ILE 212 Ca 0.10 -1.05 -0.33 0.00 0.00 0.00 0.00 60.65 59.37 1iqm s ILE 212 Cb -0.01 -2.16 -0.14 0.00 0.01 0.00 0.00 42.46 40.15 1iqm s ILE 212 CO -0.02 0.34 2.37 0.52 0.00 0.00 0.00 174.94 178.15 1iqm n VAL 213 N 4.62 0.06 0.00 2.92 0.31 -1.01 -1.46 118.33 123.77 1iqm n VAL 213 Ca -0.18 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 1iqm n VAL 213 Cb 0.48 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 1iqm n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1iqm n SER 214 N 11.02 0.00 -2.66 4.52 2.88 -0.86 0.81 113.62 129.34 1iqm n SER 214 Ca 0.49 0.06 -0.06 0.00 -1.33 0.00 0.00 58.87 58.03 1iqm n SER 214 Cb 0.21 -0.36 0.02 0.00 -0.75 0.00 0.00 64.21 63.33 1iqm n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1iqm n TRP 215 N -2.11 -1.82 -3.68 0.66 4.27 -0.27 -4.84 117.44 109.64 1iqm n TRP 215 Ca 0.00 -1.38 -0.01 0.00 -3.89 0.00 0.00 57.50 52.22 1iqm n TRP 215 Cb 0.00 0.69 -0.01 0.00 -1.36 0.00 0.00 31.31 30.63 1iqm n TRP 215 CO 0.00 0.00 0.00 0.20 -2.29 0.00 0.00 177.69 175.60 1iqm s GLY 216 N -2.91 -0.33 -1.09 -1.67 0.00 -1.26 1.00 107.32 101.06 1iqm s GLY 216 Ca 0.15 0.43 -0.09 0.00 0.00 0.00 0.00 44.72 45.22 1iqm s GLY 216 CO 0.08 0.15 1.08 -0.54 0.00 0.00 0.00 173.10 173.87 1iqm s GLU 217 N -2.78 4.14 0.59 2.90 2.02 -1.26 -4.93 118.70 119.38 1iqm s GLU 217 Ca 0.14 -3.20 0.00 0.00 0.02 0.00 0.00 54.97 51.93 1iqm s GLU 217 Cb 0.02 -4.52 0.00 0.00 0.10 0.00 0.00 34.13 29.73 1iqm s GLU 217 CO -0.01 -1.24 0.00 0.41 0.02 0.00 0.00 175.26 174.43 1iqm n GLY 218 N 2.73 -1.34 2.90 -1.39 0.00 -1.26 -4.73 105.19 102.10 1iqm n GLY 218 Ca 0.23 -1.78 -0.22 0.00 0.00 0.00 0.00 46.02 44.26 1iqm n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqm n ALA 221 N 4.29 -0.67 -1.90 0.00 0.00 -1.26 -4.83 120.51 116.13 1iqm n ALA 221 Ca -0.20 0.11 -0.41 0.00 0.00 0.00 0.00 53.44 52.93 1iqm n ALA 221 Cb 0.51 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 1iqm n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1iqm s ARG 222 N -4.62 4.26 0.18 0.00 0.52 -1.26 -4.71 118.95 113.31 1iqm s ARG 222 Ca 0.00 2.30 -0.32 0.00 -0.52 0.00 0.00 55.73 57.18 1iqm s ARG 222 Cb 0.00 -3.12 -0.12 0.00 0.52 0.00 0.00 34.95 32.23 1iqm s ARG 222 CO 0.00 -0.44 1.72 1.17 0.02 0.00 0.00 175.30 177.77 1iqm n LYS 223 N 2.62 2.65 0.00 3.54 3.00 -1.26 -0.99 118.16 127.73 1iqm n LYS 223 Ca 0.08 0.96 0.00 0.00 -0.00 0.00 0.00 58.31 59.35 1iqm n LYS 223 Cb 0.40 -2.80 0.00 0.00 0.00 0.00 0.00 35.03 32.63 1iqm n LYS 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1iqm n GLY 223 N 3.92 3.21 3.81 3.14 0.00 -0.35 -5.02 105.19 113.91 1iqm n GLY 223 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 1iqm n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iqm s LYS 224 N -0.69 2.53 0.36 1.61 -0.14 -0.16 -4.74 119.74 118.51 1iqm s LYS 224 Ca 0.00 -1.47 0.04 0.00 -1.36 0.00 0.00 55.97 53.17 1iqm s LYS 224 Cb 0.00 -2.32 -0.04 0.00 -1.68 0.00 0.00 37.83 33.79 1iqm s LYS 224 CO 0.00 0.02 0.12 0.71 -0.76 0.00 0.00 175.35 175.44 1iqm s TYR 225 N -2.40 1.77 -0.10 3.18 2.02 -1.26 -4.58 117.35 115.97 1iqm s TYR 225 Ca 0.42 -1.23 -0.19 0.00 -0.37 0.00 0.00 57.07 55.70 1iqm s TYR 225 Cb -0.03 -1.10 -0.04 0.00 -0.40 0.00 0.00 41.96 40.38 1iqm s TYR 225 CO 0.25 -0.29 0.51 0.20 -1.57 0.00 0.00 175.55 174.65 1iqm s GLY 226 N -3.51 2.44 -0.26 0.71 0.00 -0.24 -4.51 107.32 101.95 1iqm s GLY 226 Ca 0.30 -0.14 -0.12 0.00 0.00 0.00 0.00 44.72 44.77 1iqm s GLY 226 CO 0.15 0.77 0.22 -0.42 0.00 0.00 0.00 173.10 173.83 1iqm s ILE 227 N 0.46 5.30 -0.02 0.90 -1.09 0.28 -1.48 121.20 125.56 1iqm s ILE 227 Ca 0.27 0.27 0.07 0.00 -2.23 0.00 0.00 60.65 59.03 1iqm s ILE 227 Cb -0.16 -3.56 -0.02 0.00 -1.58 0.00 0.00 42.46 37.14 1iqm s ILE 227 CO 0.12 0.27 -0.23 -0.31 -1.23 0.00 0.00 174.94 173.56 1iqm s TYR 228 N 1.53 2.44 0.24 3.97 1.51 0.06 -1.12 117.35 125.99 1iqm s TYR 228 Ca 0.09 -0.35 -0.30 0.00 -1.01 0.00 0.00 57.07 55.50 1iqm s TYR 228 Cb -0.15 -1.52 -0.10 0.00 -0.11 0.00 0.00 41.96 40.08 1iqm s TYR 228 CO 0.08 0.06 1.49 0.99 -1.11 0.00 0.00 175.55 177.06 1iqm s THR 229 N -0.69 2.55 -0.57 -0.71 2.01 -0.53 -0.96 115.64 116.74 1iqm s THR 229 Ca 0.11 0.45 -0.28 0.00 0.31 0.00 0.00 61.69 62.28 1iqm s THR 229 Cb -0.10 -3.29 0.03 0.00 0.01 0.00 0.00 72.50 69.15 1iqm s THR 229 CO 0.00 0.06 1.17 -0.75 -0.69 0.00 0.00 174.62 174.42 1iqm s LYS 230 N -0.08 3.52 0.16 4.92 2.20 -0.68 -2.39 119.74 127.39 1iqm s LYS 230 Ca 0.62 0.25 -0.13 0.00 -0.36 0.00 0.00 55.97 56.34 1iqm s LYS 230 Cb -0.43 -4.01 0.04 0.00 -1.51 0.00 0.00 37.83 31.92 1iqm s LYS 230 CO 0.42 -1.65 1.70 0.28 -0.36 0.00 0.00 175.35 175.74 1iqm h VAL 231 N 6.16 1.22 0.00 4.02 2.07 -1.61 -2.65 116.25 125.46 1iqm h VAL 231 Ca -0.25 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1iqm h VAL 231 Cb 1.06 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1iqm h VAL 231 CO 1.18 0.27 0.13 0.35 0.02 0.00 0.00 177.57 179.52 1iqm n THR 232 N -4.52 1.05 0.62 2.57 -2.24 -1.26 -0.49 114.28 110.01 1iqm n THR 232 Ca 0.02 0.67 0.11 0.00 -2.27 0.00 0.00 64.05 62.59 1iqm n THR 232 Cb 0.17 -1.67 0.26 0.00 -2.10 0.00 0.00 70.33 66.99 1iqm n THR 232 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iqm n ALA 233 N -1.60 2.45 -0.77 6.98 0.00 -1.00 -4.17 120.51 122.40 1iqm n ALA 233 Ca -0.01 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.60 1iqm n ALA 233 Cb 0.15 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1iqm n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1iqm n PHE 234 N 1.12 0.00 0.00 0.00 3.72 0.36 -4.93 117.46 117.72 1iqm n PHE 234 Ca 0.18 -0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 1iqm n PHE 234 Cb 0.52 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 1iqm n PHE 234 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1iqm n LEU 235 N -0.05 0.00 -0.12 4.37 4.32 -1.07 0.50 117.00 124.94 1iqm n LEU 235 Ca 0.00 0.70 0.27 0.00 -0.02 0.00 0.00 56.01 56.96 1iqm n LEU 235 Cb 0.31 -0.26 0.64 0.00 -1.62 0.00 0.00 43.42 42.50 1iqm n LEU 235 CO 0.00 -0.26 1.25 0.11 -1.22 0.00 0.00 177.39 177.27 1iqm h LYS 236 N 0.00 0.00 0.02 3.23 1.79 -1.91 1.25 116.57 120.94 1iqm h LYS 236 Ca 0.00 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.23 1iqm h LYS 236 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1iqm h LYS 236 CO 0.00 0.00 -0.99 2.35 -1.08 0.00 0.00 179.45 179.73 1iqm h TRP 237 N 0.00 0.64 -0.41 -1.35 7.01 -0.32 -2.50 115.95 119.03 1iqm h TRP 237 Ca 0.39 -0.36 -0.15 0.00 2.11 0.00 0.00 58.89 60.88 1iqm h TRP 237 Cb 2.04 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 29.03 1iqm h TRP 237 CO 0.00 1.19 -0.33 0.82 -2.79 0.00 0.00 178.44 177.33 1iqm h ILE 238 N 0.23 1.27 -0.23 2.65 2.04 0.46 -0.53 117.51 123.39 1iqm h ILE 238 Ca -0.09 -1.50 -0.01 0.00 1.00 0.00 0.00 64.86 64.26 1iqm h ILE 238 Cb 1.64 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 39.03 1iqm h ILE 238 CO 0.17 0.51 0.12 0.44 0.00 0.00 0.00 178.15 179.39 1iqm h ASP 239 N 0.77 0.29 -0.72 1.72 5.19 -1.24 0.06 116.42 122.48 1iqm h ASP 239 Ca 0.07 -0.10 0.07 0.00 -0.62 0.00 0.00 57.03 56.45 1iqm h ASP 239 Cb 0.92 -0.07 -0.06 0.00 0.18 0.00 0.00 39.33 40.30 1iqm h ASP 239 CO 0.09 0.31 0.41 -0.09 -3.12 0.00 0.00 179.24 176.83 1iqm h ARG 240 N 0.26 0.72 -0.43 3.56 2.43 -1.31 -1.40 114.38 118.20 1iqm h ARG 240 Ca 0.08 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1iqm h ARG 240 Cb 0.08 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 1iqm h ARG 240 CO -0.01 0.48 -0.01 0.77 -1.51 0.00 0.00 179.97 179.68 1iqm h SER 241 N 0.74 0.67 0.54 -3.80 0.02 -0.47 -1.80 113.55 109.45 1iqm h SER 241 Ca 0.33 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1iqm h SER 241 Cb 0.22 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1iqm h SER 241 CO -0.20 0.74 0.00 0.23 -1.14 0.00 0.00 176.83 176.47 1iqm n MET 242 N -4.23 0.04 -0.17 3.45 2.81 -0.05 0.16 117.12 119.12 1iqm n MET 242 Ca 0.02 0.29 0.09 0.00 -1.81 0.00 0.00 57.70 56.28 1iqm n MET 242 Cb 0.29 -1.57 0.18 0.00 -0.71 0.00 0.00 33.22 31.40 1iqm n MET 242 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1iqm n LYS 243 N -1.65 2.29 -1.97 0.03 4.76 -0.75 -5.05 118.16 115.82 1iqm n LYS 243 Ca 0.03 -2.06 0.00 0.00 -2.87 0.00 0.00 58.31 53.41 1iqm n LYS 243 Cb 0.18 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 1iqm n LYS 243 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1iqm n THR 244 N 1.06 -7.18 0.00 -0.18 -1.04 0.42 -5.06 114.28 102.29 1iqm n THR 244 Ca 0.15 2.84 0.00 0.00 -2.04 0.00 0.00 64.05 65.00 1iqm n THR 244 Cb 0.49 -3.84 0.00 0.00 -1.82 0.00 0.00 70.33 65.17 1iqm n THR 244 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29