#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iql s VAL 17 N 0.00 3.29 -0.21 1.39 1.01 0.32 -2.98 120.40 123.22 1iql s VAL 17 Ca 0.00 -0.54 -0.19 0.00 0.00 0.00 0.00 61.98 61.25 1iql s VAL 17 Cb 0.00 -2.46 0.03 0.00 0.00 0.00 0.00 36.38 33.95 1iql s VAL 17 CO 0.00 0.46 0.32 0.61 0.00 0.00 0.00 175.10 176.49 1iql n GLY 18 N 4.28 0.09 1.08 4.51 0.00 -1.21 -3.08 105.19 110.86 1iql n GLY 18 Ca -0.18 0.55 -0.05 0.00 0.00 0.00 0.00 46.02 46.34 1iql n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iql n GLY 19 N 0.39 3.08 3.98 -0.02 0.00 -1.26 -4.68 105.19 106.68 1iql n GLY 19 Ca -0.04 -1.54 -0.26 0.00 0.00 0.00 0.00 46.02 44.17 1iql n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1iql s GLN 20 N -2.32 1.05 0.08 1.61 -0.21 -1.06 -4.90 119.66 113.92 1iql s GLN 20 Ca 0.11 -0.95 0.01 0.00 0.02 0.00 0.00 55.36 54.55 1iql s GLN 20 Cb -0.00 -2.12 -0.04 0.00 1.00 0.00 0.00 33.01 31.85 1iql s GLN 20 CO 0.08 -1.98 0.20 -2.00 -2.12 0.00 0.00 175.29 169.46 1iql s GLU 21 N -5.50 3.32 -0.63 2.91 2.12 -1.26 -1.90 118.70 117.77 1iql s GLU 21 Ca 0.71 -0.53 -0.25 0.00 0.36 0.00 0.00 54.97 55.27 1iql s GLU 21 Cb -0.03 -2.96 0.05 0.00 0.26 0.00 0.00 34.13 31.45 1iql s GLU 21 CO 0.49 0.58 1.05 0.00 -0.54 0.00 0.00 175.26 176.84 1iql s LYS 23 N 4.48 -0.20 -0.26 0.00 -0.14 -1.26 -4.85 119.74 117.51 1iql s LYS 23 Ca 0.30 0.32 -0.36 0.00 -1.36 0.00 0.00 55.97 54.87 1iql s LYS 23 Cb -0.12 -1.68 -0.13 0.00 -1.68 0.00 0.00 37.83 34.22 1iql s LYS 23 CO 0.16 -3.11 1.97 -3.47 -0.76 0.00 0.00 175.35 170.14 1iql n ASP 24 N -4.41 2.58 0.00 2.83 2.03 -1.26 -2.23 116.55 116.09 1iql n ASP 24 Ca 0.07 0.77 0.00 0.00 0.52 0.00 0.00 54.79 56.15 1iql n ASP 24 Cb 0.58 -1.25 0.00 0.00 -0.72 0.00 0.00 41.12 39.73 1iql n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1iql n GLY 25 N 5.23 0.58 0.14 0.27 0.00 -1.26 -4.97 105.19 105.17 1iql n GLY 25 Ca 0.32 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 1iql n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1iql n GLU 26 N -2.82 0.75 -2.79 1.61 1.02 -0.95 -4.49 120.64 112.97 1iql n GLU 26 Ca 0.00 0.26 -0.28 0.00 -0.02 0.00 0.00 57.16 57.11 1iql n GLU 26 Cb 0.00 -1.71 -0.03 0.00 -0.02 0.00 0.00 31.44 29.69 1iql n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1iql n PRO 28 N -0.29 0.04 -0.10 0.00 -0.04 -1.26 -2.55 135.00 130.80 1iql n PRO 28 Ca 0.34 0.21 0.12 0.00 -0.04 0.00 0.00 63.50 64.13 1iql n PRO 28 Cb 0.43 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.63 1iql n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1iql n TRP 29 N -1.46 0.26 -1.79 0.54 2.14 -1.11 -0.86 117.44 115.16 1iql n TRP 29 Ca 0.05 -0.13 -0.33 0.00 2.07 0.00 0.00 57.50 59.16 1iql n TRP 29 Cb 0.18 0.00 0.04 0.00 -0.81 0.00 0.00 31.31 30.72 1iql n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1iql s GLN 30 N -1.74 2.90 -0.05 -2.67 2.00 -1.06 -1.59 119.66 117.45 1iql s GLN 30 Ca 0.34 1.31 -0.16 0.00 -2.00 0.00 0.00 55.36 54.85 1iql s GLN 30 Cb 0.21 -1.97 0.03 0.00 0.80 0.00 0.00 33.01 32.08 1iql s GLN 30 CO 0.30 -1.16 0.37 0.00 -0.50 0.00 0.00 175.29 174.30 1iql s ALA 31 N -2.43 -0.93 -0.10 1.58 0.00 -1.01 -4.50 121.76 114.36 1iql s ALA 31 Ca 0.65 0.62 0.01 0.00 0.00 0.00 0.00 51.96 53.24 1iql s ALA 31 Cb -0.19 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 22.84 1iql s ALA 31 CO 0.42 -0.25 -0.11 -1.17 0.00 0.00 0.00 175.76 174.65 1iql s LEU 32 N -0.94 1.45 -0.29 0.00 2.96 -0.37 -1.20 118.68 120.29 1iql s LEU 32 Ca -0.10 -0.33 -0.26 0.00 -0.22 0.00 0.00 54.13 53.22 1iql s LEU 32 Cb -0.04 -0.90 0.01 0.00 0.50 0.00 0.00 46.19 45.76 1iql s LEU 32 CO 0.04 -0.05 0.91 -0.76 -1.32 0.00 0.00 176.35 175.17 1iql s LEU 33 N 1.25 4.04 -0.02 -0.68 1.43 -0.05 -0.28 118.68 124.37 1iql s LEU 33 Ca -0.03 0.91 -0.03 0.00 -1.03 0.00 0.00 54.13 53.94 1iql s LEU 33 Cb -0.14 -3.28 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 1iql s LEU 33 CO -0.04 -0.69 0.17 0.27 0.23 0.00 0.00 176.35 176.30 1iql s ILE 34 N 3.18 5.41 0.65 -0.59 -4.36 0.50 -1.67 121.20 124.33 1iql s ILE 34 Ca 0.38 -0.13 0.03 0.00 -0.26 0.00 0.00 60.65 60.67 1iql s ILE 34 Cb -0.14 -3.51 0.10 0.00 1.25 0.00 0.00 42.46 40.17 1iql s ILE 34 CO 0.12 0.36 0.90 0.54 0.24 0.00 0.00 174.94 177.10 1iql s ASN 35 N -1.83 4.70 0.25 4.36 4.22 -0.07 -1.66 114.94 124.92 1iql s ASN 35 Ca 0.26 -0.48 -0.03 0.00 -2.14 0.00 0.00 52.86 50.47 1iql s ASN 35 Cb -0.13 -0.02 0.49 0.00 1.28 0.00 0.00 41.25 42.87 1iql s ASN 35 CO 0.17 -1.60 1.74 -0.33 -2.04 0.00 0.00 177.10 175.04 1iql h GLU 36 N -0.22 0.50 -0.08 3.55 5.08 -1.90 0.79 114.58 122.31 1iql h GLU 36 Ca -0.35 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1iql h GLU 36 Cb 1.28 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1iql h GLU 36 CO 0.42 0.33 0.00 0.39 -1.00 0.00 0.00 179.01 179.15 1iql n GLU 37 N -4.95 0.90 -2.82 2.33 4.71 -1.26 -4.85 120.64 114.70 1iql n GLU 37 Ca 0.15 0.00 -0.17 0.00 -0.01 0.00 0.00 57.16 57.13 1iql n GLU 37 Cb 0.42 -1.04 0.03 0.00 -1.01 0.00 0.00 31.44 29.84 1iql n GLU 37 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1iql n ASN 38 N -0.45 -5.09 -4.77 1.62 5.15 0.28 -5.02 115.26 106.97 1iql n ASN 38 Ca 0.00 -0.21 -0.34 0.00 -0.60 0.00 0.00 54.58 53.42 1iql n ASN 38 Cb 0.02 -3.95 -0.08 0.00 -0.53 0.00 0.00 39.78 35.24 1iql n ASN 38 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1iql s GLU 39 N -5.41 3.11 0.37 1.20 2.02 -1.25 -4.77 118.70 113.98 1iql s GLU 39 Ca 0.22 -0.39 -0.27 0.00 0.02 0.00 0.00 54.97 54.56 1iql s GLU 39 Cb -0.10 -2.90 -0.09 0.00 0.10 0.00 0.00 34.13 31.14 1iql s GLU 39 CO 0.28 0.69 1.17 0.20 0.02 0.00 0.00 175.26 177.62 1iql s GLY 40 N -1.32 2.92 0.00 -1.39 0.00 -1.26 -0.90 107.32 105.38 1iql s GLY 40 Ca 0.18 0.99 0.00 0.00 0.00 0.00 0.00 44.72 45.89 1iql s GLY 40 CO 0.08 1.54 0.26 1.97 0.00 0.00 0.00 173.10 176.96 1iql n PHE 41 N 0.40 0.00 0.00 1.90 1.16 -0.67 -4.91 117.46 115.34 1iql n PHE 41 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.61 1iql n PHE 41 Cb 0.45 0.05 0.00 0.00 -1.61 0.00 0.00 39.48 38.38 1iql n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1iql s GLY 43 N 0.00 2.34 0.31 0.00 0.00 0.72 -0.87 107.32 109.82 1iql s GLY 43 Ca 0.00 -1.55 -0.17 0.00 0.00 0.00 0.00 44.72 43.00 1iql s GLY 43 CO 0.00 -1.89 0.67 -0.32 0.00 0.00 0.00 173.10 171.56 1iql s GLY 44 N -4.15 0.27 -0.05 0.20 0.00 -0.34 -3.53 107.32 99.73 1iql s GLY 44 Ca 0.37 -0.62 0.01 0.00 0.00 0.00 0.00 44.72 44.48 1iql s GLY 44 CO 0.22 -0.32 -0.03 -1.59 0.00 0.00 0.00 173.10 171.38 1iql s THR 45 N -3.45 0.48 -0.40 0.90 2.01 0.11 -2.41 115.64 112.87 1iql s THR 45 Ca 0.16 -0.07 -0.29 0.00 0.31 0.00 0.00 61.69 61.80 1iql s THR 45 Cb -0.04 -0.53 0.01 0.00 0.01 0.00 0.00 72.50 71.94 1iql s THR 45 CO 0.10 0.22 1.47 -0.63 -0.69 0.00 0.00 174.62 175.09 1iql s ILE 46 N 1.07 3.84 -0.08 1.82 1.01 -0.62 0.15 121.20 128.39 1iql s ILE 46 Ca -0.09 0.85 0.15 0.00 0.00 0.00 0.00 60.65 61.56 1iql s ILE 46 Cb -0.14 -4.13 -0.15 0.00 0.01 0.00 0.00 42.46 38.05 1iql s ILE 46 CO -0.01 -0.72 0.85 -0.07 0.00 0.00 0.00 174.94 174.99 1iql h LEU 47 N 12.44 0.00 0.00 2.97 3.38 -1.28 -1.85 115.31 130.97 1iql h LEU 47 Ca -0.28 0.00 0.25 0.00 0.09 0.00 0.00 57.88 57.93 1iql h LEU 47 Cb 1.11 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.82 1iql h LEU 47 CO 1.08 0.74 0.68 -1.54 0.09 0.00 0.00 178.44 179.49 1iql n SER 48 N -3.00 -1.08 0.23 -0.43 3.41 -1.05 -4.74 113.62 106.97 1iql n SER 48 Ca -0.10 -1.33 0.14 0.00 -0.26 0.00 0.00 58.87 57.32 1iql n SER 48 Cb 0.91 1.69 0.78 0.00 -0.26 0.00 0.00 64.21 67.33 1iql n SER 48 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1iql h GLU 49 N 0.00 0.00 0.00 4.33 4.11 -1.96 -3.00 114.58 118.06 1iql h GLU 49 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.25 1iql h GLU 49 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1iql h GLU 49 CO 0.26 0.00 -1.25 1.19 0.07 0.00 0.00 179.01 179.28 1iql n PHE 50 N -4.14 0.00 -5.01 2.06 3.72 -1.26 -1.58 117.46 111.24 1iql n PHE 50 Ca -0.01 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.07 1iql n PHE 50 Cb 0.19 -0.19 -0.15 0.00 -0.94 0.00 0.00 39.48 38.39 1iql n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1iql s TYR 51 N -2.61 2.62 -0.05 1.38 2.02 -1.14 -0.72 117.35 118.85 1iql s TYR 51 Ca -0.02 -0.47 0.05 0.00 -0.37 0.00 0.00 57.07 56.26 1iql s TYR 51 Cb 0.08 -1.66 -0.02 0.00 -0.40 0.00 0.00 41.96 39.96 1iql s TYR 51 CO 0.49 -0.05 -0.22 0.42 -1.57 0.00 0.00 175.55 174.62 1iql s ILE 52 N -0.29 2.37 -0.18 2.71 -1.09 -0.45 -0.87 121.20 123.40 1iql s ILE 52 Ca 0.01 -0.96 -0.05 0.00 -2.23 0.00 0.00 60.65 57.42 1iql s ILE 52 Cb -0.13 -1.88 -0.03 0.00 -1.58 0.00 0.00 42.46 38.84 1iql s ILE 52 CO 0.03 0.57 -0.00 -0.22 -1.23 0.00 0.00 174.94 174.09 1iql s LEU 53 N -0.35 3.38 0.00 2.97 2.96 0.12 -0.57 118.68 127.19 1iql s LEU 53 Ca 0.02 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 1iql s LEU 53 Cb -0.12 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 1iql s LEU 53 CO 0.02 0.14 0.13 1.07 -1.32 0.00 0.00 176.35 176.39 1iql n THR 54 N 3.75 0.00 -3.35 3.68 5.66 -1.04 0.04 114.28 123.02 1iql n THR 54 Ca -0.17 -0.94 -0.38 0.00 -3.05 0.00 0.00 64.05 59.50 1iql n THR 54 Cb 0.52 0.49 -0.07 0.00 -1.55 0.00 0.00 70.33 69.72 1iql n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1iql s ALA 55 N -2.47 3.55 0.28 1.79 0.00 -1.26 -0.08 121.76 123.58 1iql s ALA 55 Ca 0.15 -0.49 -0.07 0.00 0.00 0.00 0.00 51.96 51.55 1iql s ALA 55 Cb 0.01 -2.68 0.48 0.00 0.00 0.00 0.00 23.12 20.93 1iql s ALA 55 CO 0.11 -0.34 1.56 0.00 0.00 0.00 0.00 175.76 177.09 1iql h ALA 56 N 7.40 0.71 0.00 0.00 0.00 -1.74 0.49 119.26 126.12 1iql h ALA 56 Ca -0.35 0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1iql h ALA 56 Cb 1.16 0.73 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1iql h ALA 56 CO 0.72 -0.40 0.00 -2.39 0.00 0.00 0.00 179.25 177.18 1iql n HIS 57 N -5.61 0.24 0.17 0.00 1.44 -1.26 -2.33 115.22 107.87 1iql n HIS 57 Ca 0.16 0.11 0.02 0.00 -2.01 0.00 0.00 57.72 56.00 1iql n HIS 57 Cb 0.52 -0.68 0.31 0.00 0.12 0.00 0.00 29.99 30.26 1iql n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1iql n LEU 59 N -3.97 0.20 -1.33 0.00 4.77 -0.98 -1.68 117.00 114.01 1iql n LEU 59 Ca -0.02 0.58 0.10 0.00 -0.03 0.00 0.00 56.01 56.65 1iql n LEU 59 Cb 0.47 -0.58 0.31 0.00 -2.33 0.00 0.00 43.42 41.29 1iql n LEU 59 CO 0.40 -0.55 0.77 -1.22 -1.33 0.00 0.00 177.39 175.46 1iql n TYR 60 N -1.76 1.04 -0.46 -1.77 4.02 -1.10 -4.27 117.16 112.87 1iql n TYR 60 Ca 0.01 -0.48 0.06 0.00 -0.01 0.00 0.00 57.90 57.47 1iql n TYR 60 Cb 0.08 -0.06 0.16 0.00 -0.02 0.00 0.00 39.34 39.50 1iql n TYR 60 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1iql n GLN 61 N 1.40 2.80 -3.64 -0.72 6.02 -0.68 -5.00 117.38 117.57 1iql n GLN 61 Ca 0.23 -2.26 -0.08 0.00 -0.01 0.00 0.00 57.00 54.89 1iql n GLN 61 Cb 0.65 -1.42 -0.07 0.00 1.02 0.00 0.00 30.24 30.41 1iql n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1iql s ALA 61 N -1.68 -1.99 0.20 -1.58 0.00 -1.26 -5.04 121.76 110.40 1iql s ALA 61 Ca 0.27 2.06 -0.08 0.00 0.00 0.00 0.00 51.96 54.20 1iql s ALA 61 Cb 0.18 -1.45 0.13 0.00 0.00 0.00 0.00 23.12 21.98 1iql s ALA 61 CO 0.11 -0.30 1.74 -0.22 0.00 0.00 0.00 175.76 177.09 1iql h LYS 62 N 5.18 1.15 -2.15 0.00 3.64 -1.94 -3.44 116.57 119.01 1iql h LYS 62 Ca -0.29 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1iql h LYS 62 Cb 1.18 -0.17 -0.22 0.00 -0.41 0.00 0.00 32.23 32.62 1iql h LYS 62 CO 0.12 0.98 -0.11 0.50 -2.27 0.00 0.00 179.45 178.68 1iql s ARG 63 N -5.41 0.59 0.30 1.90 3.52 -1.26 -5.16 118.95 113.43 1iql s ARG 63 Ca -0.12 1.20 0.03 0.00 -0.13 0.00 0.00 55.73 56.70 1iql s ARG 63 Cb 0.15 0.31 -0.04 0.00 -1.56 0.00 0.00 34.95 33.81 1iql s ARG 63 CO 0.84 -0.17 0.13 -0.59 -0.81 0.00 0.00 175.30 174.69 1iql s PHE 64 N 2.00 1.63 0.28 5.12 -0.71 -1.26 -3.75 117.98 121.29 1iql s PHE 64 Ca -0.08 -1.26 0.03 0.00 -1.04 0.00 0.00 56.93 54.58 1iql s PHE 64 Cb -0.08 -0.95 -0.06 0.00 -1.21 0.00 0.00 43.02 40.73 1iql s PHE 64 CO -0.18 -0.38 0.07 0.15 -1.34 0.00 0.00 175.22 173.53 1iql s LYS 65 N -3.89 1.48 -0.18 1.99 1.02 -0.66 -4.57 119.74 114.94 1iql s LYS 65 Ca 0.35 -1.80 0.01 0.00 0.02 0.00 0.00 55.97 54.55 1iql s LYS 65 Cb 0.06 -0.54 0.02 0.00 -0.52 0.00 0.00 37.83 36.85 1iql s LYS 65 CO 0.16 -0.22 -0.18 0.54 -0.92 0.00 0.00 175.35 174.72 1iql s VAL 66 N -3.53 1.96 0.17 3.17 0.11 -0.82 -0.37 120.40 121.09 1iql s VAL 66 Ca 0.36 -0.91 -0.00 0.00 -2.93 0.00 0.00 61.98 58.50 1iql s VAL 66 Cb 0.08 -1.80 -0.04 0.00 -1.53 0.00 0.00 36.38 33.09 1iql s VAL 66 CO 0.13 0.49 0.36 -0.60 -3.33 0.00 0.00 175.10 172.15 1iql s ARG 67 N 1.32 3.51 0.20 1.54 3.52 0.61 -1.50 118.95 128.16 1iql s ARG 67 Ca 0.04 -0.37 -0.03 0.00 -0.13 0.00 0.00 55.73 55.24 1iql s ARG 67 Cb -0.13 -2.88 -0.03 0.00 -1.56 0.00 0.00 34.95 30.35 1iql s ARG 67 CO -0.12 0.45 0.19 0.14 -0.81 0.00 0.00 175.30 175.14 1iql s VAL 68 N -1.80 0.01 -1.37 7.11 -7.23 -0.22 -1.24 120.40 115.67 1iql s VAL 68 Ca 0.38 -1.87 -0.02 0.00 -1.81 0.00 0.00 61.98 58.66 1iql s VAL 68 Cb -0.11 -2.39 -0.00 0.00 0.56 0.00 0.00 36.38 34.44 1iql s VAL 68 CO 0.28 -0.05 0.48 0.61 -0.31 0.00 0.00 175.10 176.11 1iql n GLY 69 N -0.27 -0.28 2.89 2.32 0.00 -1.17 -1.93 105.19 106.74 1iql n GLY 69 Ca 0.00 0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1iql n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iql s ASP 70 N -4.31 1.07 -0.00 1.61 2.15 -1.26 -2.73 116.67 113.20 1iql s ASP 70 Ca 0.03 -0.14 0.02 0.00 0.43 0.00 0.00 52.55 52.90 1iql s ASP 70 Cb -0.01 -0.47 -0.03 0.00 -0.30 0.00 0.00 42.92 42.10 1iql s ASP 70 CO 0.88 -0.06 0.05 0.54 -0.17 0.00 0.00 175.17 176.41 1iql n ARG 71 N 4.16 1.20 -3.75 4.34 1.74 -1.26 -4.84 116.66 118.25 1iql n ARG 71 Ca -0.23 -0.02 -0.27 0.00 -0.77 0.00 0.00 57.85 56.57 1iql n ARG 71 Cb 0.51 -0.97 -0.17 0.00 -1.02 0.00 0.00 32.46 30.81 1iql n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1iql s ASN 72 N -2.05 2.59 -0.60 0.55 3.84 -1.26 -1.33 114.94 116.68 1iql s ASN 72 Ca -0.00 -0.64 -0.05 0.00 0.21 0.00 0.00 52.86 52.37 1iql s ASN 72 Cb 0.01 -0.58 -0.05 0.00 -0.55 0.00 0.00 41.25 40.09 1iql s ASN 72 CO 0.09 -0.27 2.99 0.35 -2.79 0.00 0.00 177.10 177.46 1iql n THR 73 N 5.06 3.68 0.00 -5.21 -2.24 -0.66 -3.86 114.28 111.05 1iql n THR 73 Ca -0.09 -2.73 0.00 0.00 -2.27 0.00 0.00 64.05 58.96 1iql n THR 73 Cb 0.48 -1.92 0.00 0.00 -2.10 0.00 0.00 70.33 66.79 1iql n THR 73 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iql n GLU 74 N 1.82 0.00 -3.23 -0.78 1.02 -1.26 -4.96 120.64 113.26 1iql n GLU 74 Ca 0.53 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 57.22 1iql n GLU 74 Cb 0.57 -0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.93 1iql n GLU 74 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1iql s GLN 75 N -1.88 3.05 -0.71 3.49 0.74 -1.25 -5.00 119.66 118.09 1iql s GLN 75 Ca 0.00 -1.24 -0.29 0.00 0.05 0.00 0.00 55.36 53.88 1iql s GLN 75 Cb 0.00 -4.18 -0.14 0.00 1.10 0.00 0.00 33.01 29.78 1iql s GLN 75 CO 0.00 -1.27 2.53 -1.91 -0.55 0.00 0.00 175.29 174.08 1iql n GLU 76 N 5.84 0.56 -0.23 1.67 4.07 -1.26 -4.79 120.64 126.49 1iql n GLU 76 Ca -0.10 0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.02 1iql n GLU 76 Cb 0.43 -2.47 0.00 0.00 -0.06 0.00 0.00 31.44 29.35 1iql n GLU 76 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1iql n GLU 77 N 8.70 0.58 0.00 5.31 1.02 -1.26 -5.06 120.64 129.93 1iql n GLU 77 Ca 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 1iql n GLU 77 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.70 1iql n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iql n GLY 78 N 5.00 -0.59 3.07 0.62 0.00 -1.26 -4.57 105.19 107.46 1iql n GLY 78 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1iql n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iql n GLY 79 N 0.00 4.19 3.69 -0.02 0.00 -1.26 -5.03 105.19 106.76 1iql n GLY 79 Ca 0.00 -2.61 -0.37 0.00 0.00 0.00 0.00 46.02 43.04 1iql n GLY 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1iql s GLU 80 N -1.50 4.19 0.05 1.61 1.03 -1.10 -4.48 118.70 118.51 1iql s GLU 80 Ca 0.28 0.07 0.08 0.00 0.03 0.00 0.00 54.97 55.43 1iql s GLU 80 Cb -0.05 -3.49 -0.03 0.00 -0.80 0.00 0.00 34.13 29.76 1iql s GLU 80 CO -0.12 0.10 -0.21 0.00 -1.33 0.00 0.00 175.26 173.71 1iql s ALA 81 N 0.89 2.50 -0.03 -0.84 0.00 -0.81 -4.94 121.76 118.52 1iql s ALA 81 Ca 0.16 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1iql s ALA 81 Cb -0.14 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 1iql s ALA 81 CO 0.05 0.56 -0.00 0.08 0.00 0.00 0.00 175.76 176.45 1iql s VAL 82 N -0.90 4.16 0.07 0.00 1.01 -1.26 -1.05 120.40 122.42 1iql s VAL 82 Ca 0.14 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1iql s VAL 82 Cb -0.10 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 1iql s VAL 82 CO 0.05 0.47 -0.08 -1.00 0.00 0.00 0.00 175.10 174.53 1iql s HIS 83 N -1.00 0.83 -0.04 5.22 3.76 -0.56 -5.01 115.29 118.49 1iql s HIS 83 Ca 0.17 -0.64 -0.02 0.00 -0.15 0.00 0.00 55.06 54.42 1iql s HIS 83 Cb -0.11 -0.48 -0.04 0.00 1.11 0.00 0.00 32.58 33.06 1iql s HIS 83 CO 0.07 -0.08 0.08 -1.21 -0.85 0.00 0.00 174.74 172.75 1iql s GLU 84 N -2.42 3.14 -0.15 1.40 2.02 -1.26 -1.95 118.70 119.47 1iql s GLU 84 Ca -0.01 -0.40 -0.29 0.00 0.02 0.00 0.00 54.97 54.28 1iql s GLU 84 Cb -0.05 -2.92 -0.01 0.00 0.10 0.00 0.00 34.13 31.26 1iql s GLU 84 CO -0.01 0.68 1.08 0.08 0.02 0.00 0.00 175.26 177.11 1iql s VAL 85 N -1.12 4.60 -0.13 2.63 1.01 -1.26 -1.24 120.40 124.88 1iql s VAL 85 Ca 0.20 1.91 -0.18 0.00 0.00 0.00 0.00 61.98 63.92 1iql s VAL 85 Cb -0.12 -4.23 -0.15 0.00 0.00 0.00 0.00 36.38 31.88 1iql s VAL 85 CO 0.11 -0.08 0.42 -0.08 0.00 0.00 0.00 175.10 175.46 1iql h GLU 86 N 7.42 0.00 -3.72 2.72 4.81 -1.25 -3.45 114.58 121.12 1iql h GLU 86 Ca -0.26 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.79 1iql h GLU 86 Cb 1.11 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 30.26 1iql h GLU 86 CO 0.92 0.61 -0.63 0.14 -0.73 0.00 0.00 179.01 179.32 1iql s VAL 87 N -2.00 0.07 -0.19 0.32 -7.23 -1.13 -5.02 120.40 105.21 1iql s VAL 87 Ca -0.13 -0.54 -0.04 0.00 -1.81 0.00 0.00 61.98 59.47 1iql s VAL 87 Cb -0.01 -0.25 -0.02 0.00 0.56 0.00 0.00 36.38 36.66 1iql s VAL 87 CO 0.42 -0.30 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.19 1iql s VAL 88 N -0.92 3.57 -0.73 1.32 1.01 -1.26 -2.21 120.40 121.18 1iql s VAL 88 Ca -0.10 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1iql s VAL 88 Cb -0.06 -2.60 0.18 0.00 0.00 0.00 0.00 36.38 33.90 1iql s VAL 88 CO 0.00 0.45 0.55 -0.63 0.00 0.00 0.00 175.10 175.47 1iql s ILE 89 N 1.02 3.62 1.05 2.22 1.01 -0.37 -5.02 121.20 124.73 1iql s ILE 89 Ca 0.01 -3.64 -0.14 0.00 0.00 0.00 0.00 60.65 56.88 1iql s ILE 89 Cb -0.15 -3.33 0.21 0.00 0.01 0.00 0.00 42.46 39.21 1iql s ILE 89 CO 0.00 -0.97 1.11 -0.75 0.00 0.00 0.00 174.94 174.33 1iql s LYS 90 N -0.87 0.01 -0.20 2.79 2.20 -1.26 -2.56 119.74 119.86 1iql s LYS 90 Ca 0.22 0.27 -0.12 0.00 -0.36 0.00 0.00 55.97 55.98 1iql s LYS 90 Cb -0.13 -1.71 -0.05 0.00 -1.51 0.00 0.00 37.83 34.44 1iql s LYS 90 CO -0.09 -2.96 0.24 -1.58 -0.36 0.00 0.00 175.35 170.60 1iql s HIS 91 N -3.05 3.40 0.18 4.03 5.65 -1.23 -4.94 115.29 119.33 1iql s HIS 91 Ca 0.67 0.44 -0.21 0.00 0.25 0.00 0.00 55.06 56.21 1iql s HIS 91 Cb -0.15 -2.31 0.09 0.00 -1.18 0.00 0.00 32.58 29.02 1iql s HIS 91 CO 0.56 0.17 1.38 0.09 -0.65 0.00 0.00 174.74 176.29 1iql n ASN 92 N 3.89 -0.74 -0.09 9.88 4.13 -1.26 -0.71 115.26 130.35 1iql n ASN 92 Ca -0.13 1.57 0.00 0.00 1.68 0.00 0.00 54.58 57.70 1iql n ASN 92 Cb 0.52 -0.29 0.00 0.00 -1.54 0.00 0.00 39.78 38.47 1iql n ASN 92 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1iql n ARG 93 N -5.22 0.95 -1.75 3.52 5.12 -1.26 -4.91 116.66 113.11 1iql n ARG 93 Ca 0.06 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.56 1iql n ARG 93 Cb 0.30 -1.08 -0.03 0.00 -1.16 0.00 0.00 32.46 30.49 1iql n ARG 93 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1iql s PHE 94 N -1.83 1.65 -0.24 -1.55 5.36 0.11 -4.63 117.98 116.85 1iql s PHE 94 Ca 0.00 -0.21 -0.08 0.00 -0.96 0.00 0.00 56.93 55.68 1iql s PHE 94 Cb 0.00 -4.16 -0.03 0.00 -0.34 0.00 0.00 43.02 38.48 1iql s PHE 94 CO 0.00 -5.04 0.08 0.99 -1.46 0.00 0.00 175.22 169.79 1iql s THR 95 N 3.90 4.52 0.08 0.12 2.01 -0.27 -5.02 115.64 120.97 1iql s THR 95 Ca 0.83 -0.11 -0.35 0.00 0.31 0.00 0.00 61.69 62.38 1iql s THR 95 Cb -0.42 -3.11 -0.17 0.00 0.01 0.00 0.00 72.50 68.81 1iql s THR 95 CO 0.38 0.35 1.58 0.11 -0.69 0.00 0.00 174.62 176.35 1iql h LYS 96 N 8.00 -0.99 0.00 4.92 1.57 -1.92 -2.61 116.57 125.53 1iql h LYS 96 Ca -0.37 0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.44 1iql h LYS 96 Cb 1.18 0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.71 1iql h LYS 96 CO 0.59 -0.66 -0.17 1.05 -0.57 0.00 0.00 179.45 179.68 1iql h GLU 97 N -1.03 0.00 -0.24 3.15 9.09 -1.98 -3.16 114.58 120.41 1iql h GLU 97 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.33 1iql h GLU 97 Cb 0.86 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.96 1iql h GLU 97 CO 0.03 0.17 0.00 0.25 0.05 0.00 0.00 179.01 179.52 1iql n THR 98 N -3.82 1.68 -1.75 -1.06 -2.24 -1.23 -4.95 114.28 100.90 1iql n THR 98 Ca -0.02 -1.54 -0.03 0.00 -2.27 0.00 0.00 64.05 60.19 1iql n THR 98 Cb 0.27 0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 68.58 1iql n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1iql n TYR 99 N -0.26 -1.31 -3.02 4.78 4.01 -0.99 -4.86 117.16 115.52 1iql n TYR 99 Ca 0.15 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.50 1iql n TYR 99 Cb 0.64 -1.45 -0.06 0.00 -0.31 0.00 0.00 39.34 38.16 1iql n TYR 99 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1iql s ASP 100 N -1.63 7.32 -0.92 7.72 2.15 -1.20 -3.83 116.67 126.28 1iql s ASP 100 Ca 0.00 1.56 -0.03 0.00 0.43 0.00 0.00 52.55 54.51 1iql s ASP 100 Cb 0.00 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1iql s ASP 100 CO 0.00 0.19 0.79 0.49 -0.17 0.00 0.00 175.17 176.46 1iql n PHE 101 N 1.81 -1.82 -2.71 -5.34 3.01 -1.26 -1.12 117.46 110.04 1iql n PHE 101 Ca -0.06 0.71 -0.42 0.00 1.01 0.00 0.00 57.45 58.69 1iql n PHE 101 Cb 0.49 -4.12 -0.03 0.00 -0.01 0.00 0.00 39.48 35.81 1iql n PHE 101 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1iql s ASP 102 N -3.66 6.50 -0.29 4.37 -1.08 -1.25 -4.26 116.67 116.99 1iql s ASP 102 Ca 0.19 -1.55 -0.17 0.00 -0.52 0.00 0.00 52.55 50.49 1iql s ASP 102 Cb -0.08 -2.50 0.17 0.00 -1.46 0.00 0.00 42.92 39.05 1iql s ASP 102 CO 0.53 -1.38 1.11 -0.51 0.52 0.00 0.00 175.17 175.45 1iql s ILE 103 N 4.18 0.00 0.34 4.11 2.07 -1.26 -4.25 121.20 126.39 1iql s ILE 103 Ca 0.39 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.70 1iql s ILE 103 Cb -0.03 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.53 1iql s ILE 103 CO -0.07 0.00 0.25 0.00 -1.91 0.00 0.00 174.94 173.21 1iql n ALA 104 N 3.20 0.68 -3.19 1.50 0.00 0.88 -3.49 120.51 120.09 1iql n ALA 104 Ca -0.17 -1.94 -0.13 0.00 0.00 0.00 0.00 53.44 51.20 1iql n ALA 104 Cb 0.57 1.51 -0.11 0.00 0.00 0.00 0.00 19.45 21.42 1iql n ALA 104 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1iql s VAL 105 N -3.27 -0.00 -0.12 0.00 1.01 -1.06 -2.49 120.40 114.46 1iql s VAL 105 Ca 0.35 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.36 1iql s VAL 105 Cb 0.02 -0.42 0.01 0.00 0.00 0.00 0.00 36.38 35.99 1iql s VAL 105 CO 0.25 0.00 -0.21 -0.76 0.00 0.00 0.00 175.10 174.38 1iql s LEU 106 N 0.18 2.02 -0.22 3.92 1.43 0.27 -1.24 118.68 125.04 1iql s LEU 106 Ca -0.00 -0.55 -0.15 0.00 -1.03 0.00 0.00 54.13 52.40 1iql s LEU 106 Cb -0.02 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 1iql s LEU 106 CO 0.00 0.08 0.36 -0.60 0.23 0.00 0.00 176.35 176.42 1iql s ARG 107 N 0.76 4.13 0.30 1.70 6.06 -0.94 -1.34 118.95 129.62 1iql s ARG 107 Ca -0.09 0.10 -0.14 0.00 -2.50 0.00 0.00 55.73 53.09 1iql s ARG 107 Cb -0.16 -3.56 -0.09 0.00 0.06 0.00 0.00 34.95 31.21 1iql s ARG 107 CO 0.00 -0.07 0.71 -0.51 -2.50 0.00 0.00 175.30 172.93 1iql s LEU 108 N 1.41 4.10 0.12 -0.88 1.43 0.10 -0.83 118.68 124.13 1iql s LEU 108 Ca 0.16 1.23 -0.13 0.00 -1.03 0.00 0.00 54.13 54.37 1iql s LEU 108 Cb -0.15 -3.99 -0.05 0.00 0.03 0.00 0.00 46.19 42.04 1iql s LEU 108 CO 0.08 -0.17 1.48 0.50 0.23 0.00 0.00 176.35 178.46 1iql h LYS 109 N 2.37 0.81 -5.67 1.70 3.64 -1.48 -3.43 116.57 114.51 1iql h LYS 109 Ca -0.48 -0.38 -0.67 0.00 -1.27 0.00 0.00 60.65 57.85 1iql h LYS 109 Cb 1.17 -0.01 -0.27 0.00 -0.41 0.00 0.00 32.23 32.71 1iql h LYS 109 CO 0.66 1.01 -0.80 0.95 -2.27 0.00 0.00 179.45 179.00 1iql s THR 110 N -4.53 2.80 1.03 1.00 -4.23 -1.26 -5.04 115.64 105.41 1iql s THR 110 Ca -0.12 -0.78 -0.17 0.00 -1.18 0.00 0.00 61.69 59.44 1iql s THR 110 Cb 0.10 -2.12 0.01 0.00 1.34 0.00 0.00 72.50 71.83 1iql s THR 110 CO 0.84 0.55 -0.15 -0.81 -0.54 0.00 0.00 174.62 174.52 1iql n PRO 111 N 3.14 -0.75 -4.40 3.99 -0.04 -1.26 -4.94 135.00 130.73 1iql n PRO 111 Ca -0.18 -0.20 -0.34 0.00 -0.04 0.00 0.00 63.50 62.74 1iql n PRO 111 Cb 0.52 -1.58 -0.11 0.00 -0.04 0.00 0.00 33.50 32.29 1iql n PRO 111 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1iql s ILE 112 N -2.23 4.02 -0.25 0.52 1.01 -0.62 -5.01 121.20 118.64 1iql s ILE 112 Ca 0.52 -0.33 -0.14 0.00 0.00 0.00 0.00 60.65 60.70 1iql s ILE 112 Cb -0.13 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 1iql s ILE 112 CO 0.69 0.53 0.30 -0.89 0.00 0.00 0.00 174.94 175.57 1iql s THR 113 N -0.10 5.24 -0.13 2.92 2.01 -1.26 -4.77 115.64 119.55 1iql s THR 113 Ca 0.03 0.45 -0.29 0.00 0.31 0.00 0.00 61.69 62.19 1iql s THR 113 Cb -0.13 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.74 1iql s THR 113 CO 0.02 0.24 1.06 -0.36 -0.69 0.00 0.00 174.62 174.89 1iql s PHE 114 N 1.61 3.39 0.25 4.92 0.08 -1.26 -4.94 117.98 122.03 1iql s PHE 114 Ca 0.13 1.48 0.02 0.00 0.12 0.00 0.00 56.93 58.68 1iql s PHE 114 Cb -0.15 -3.26 -0.01 0.00 -0.57 0.00 0.00 43.02 39.03 1iql s PHE 114 CO 0.08 -0.52 0.27 2.89 -0.10 0.00 0.00 175.22 177.85 1iql n ARG 115 N 5.42 0.40 -1.63 0.44 1.85 -0.99 -5.02 116.66 117.13 1iql n ARG 115 Ca 0.10 -2.25 -0.45 0.00 -1.00 0.00 0.00 57.85 54.25 1iql n ARG 115 Cb 0.48 1.98 -0.02 0.00 -1.05 0.00 0.00 32.46 33.85 1iql n ARG 115 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 1iql n MET 116 N -0.44 1.67 -1.20 2.89 0.00 -1.26 -0.21 117.12 118.56 1iql n MET 116 Ca 0.03 0.59 -0.07 0.00 -0.00 0.00 0.00 57.70 58.25 1iql n MET 116 Cb 0.43 -2.11 -0.03 0.00 0.00 0.00 0.00 33.22 31.52 1iql n MET 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1iql n ASN 117 N 1.55 -4.55 -3.06 6.12 5.03 -1.26 -4.79 115.26 114.30 1iql n ASN 117 Ca 0.10 0.17 -0.13 0.00 0.87 0.00 0.00 54.58 55.60 1iql n ASN 117 Cb 0.31 -2.66 -0.04 0.00 -1.02 0.00 0.00 39.78 36.37 1iql n ASN 117 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1iql s VAL 118 N -2.03 -0.48 0.13 2.41 1.01 0.71 -3.05 120.40 119.10 1iql s VAL 118 Ca 0.00 -1.50 -0.01 0.00 0.00 0.00 0.00 61.98 60.46 1iql s VAL 118 Cb 0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 1iql s VAL 118 CO 0.00 -0.48 0.06 0.00 0.00 0.00 0.00 175.10 174.68 1iql s ALA 119 N 0.71 0.80 0.06 5.51 0.00 -0.04 -2.34 121.76 126.46 1iql s ALA 119 Ca 0.29 -1.42 -0.15 0.00 0.00 0.00 0.00 51.96 50.67 1iql s ALA 119 Cb -0.01 0.84 -0.06 0.00 0.00 0.00 0.00 23.12 23.89 1iql s ALA 119 CO -0.10 -0.49 0.47 -1.25 0.00 0.00 0.00 175.76 174.40 1iql s PRO 120 N -4.04 3.97 0.27 0.00 0.04 -1.26 -2.74 135.00 131.24 1iql s PRO 120 Ca 0.23 0.47 -0.19 0.00 0.04 0.00 0.00 61.00 61.55 1iql s PRO 120 Cb 0.07 -3.13 -0.09 0.00 0.04 0.00 0.00 34.50 31.39 1iql s PRO 120 CO 0.01 0.62 0.76 0.00 0.04 0.00 0.00 177.00 178.43 1iql s ALA 121 N -1.21 3.35 0.33 8.56 0.00 -0.69 -4.96 121.76 127.13 1iql s ALA 121 Ca 0.29 0.18 -0.26 0.00 0.00 0.00 0.00 51.96 52.17 1iql s ALA 121 Cb -0.17 -2.86 -0.09 0.00 0.00 0.00 0.00 23.12 20.00 1iql s ALA 121 CO 0.17 0.30 1.01 0.00 0.00 0.00 0.00 175.76 177.23 1iql s LEU 123 N -2.03 4.15 0.00 0.00 1.43 -1.26 -0.05 118.68 120.92 1iql s LEU 123 Ca 0.51 0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.96 1iql s LEU 123 Cb -0.23 -2.31 0.10 0.00 0.03 0.00 0.00 46.19 43.78 1iql s LEU 123 CO 0.29 0.02 0.71 -0.81 0.23 0.00 0.00 176.35 176.79 1iql n PRO 124 N 4.23 0.22 -3.76 1.29 -0.04 -1.26 -4.99 135.00 130.68 1iql n PRO 124 Ca -0.12 -2.11 -0.36 0.00 -0.04 0.00 0.00 63.50 60.87 1iql n PRO 124 Cb 0.52 -0.42 -0.07 0.00 -0.04 0.00 0.00 33.50 33.48 1iql n PRO 124 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1iql s GLU 124 N -4.32 3.95 0.01 0.54 2.02 -1.26 -4.98 118.70 114.66 1iql s GLU 124 Ca 0.49 -0.16 -0.02 0.00 0.02 0.00 0.00 54.97 55.29 1iql s GLU 124 Cb -0.03 -3.34 -0.01 0.00 0.10 0.00 0.00 34.13 30.85 1iql s GLU 124 CO 0.32 0.46 0.75 -2.13 0.02 0.00 0.00 175.26 174.68 1iql n ARG 125 N 3.01 -0.03 0.00 1.61 0.63 -1.26 -0.42 116.66 120.20 1iql n ARG 125 Ca -0.17 0.75 0.00 0.00 -0.92 0.00 0.00 57.85 57.51 1iql n ARG 125 Cb 0.53 -1.12 0.00 0.00 0.45 0.00 0.00 32.46 32.31 1iql n ARG 125 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1iql n ASP 126 N -2.95 0.00 -0.23 6.15 10.43 -1.26 -0.33 116.55 128.37 1iql n ASP 126 Ca 0.00 0.36 0.12 0.00 2.57 0.00 0.00 54.79 57.84 1iql n ASP 126 Cb 0.02 0.00 0.23 0.00 1.84 0.00 0.00 41.12 43.21 1iql n ASP 126 CO 0.00 0.00 0.00 1.87 -1.07 0.00 0.00 177.20 178.00 1iql n TRP 127 N -0.61 0.48 0.27 1.24 -0.00 -1.19 -0.28 117.44 117.34 1iql n TRP 127 Ca 0.00 0.82 -0.10 0.00 -0.00 0.00 0.00 57.50 58.21 1iql n TRP 127 Cb 0.00 -1.04 -0.05 0.00 -0.00 0.00 0.00 31.31 30.22 1iql n TRP 127 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1iql h ALA 128 N 1.36 -1.15 -0.11 5.87 0.00 -0.18 0.40 119.26 125.45 1iql h ALA 128 Ca 0.44 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.23 1iql h ALA 128 Cb 0.95 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1iql h ALA 128 CO -0.62 -1.10 0.21 0.93 0.00 0.00 0.00 179.25 178.67 1iql h GLU 129 N -0.70 0.00 0.00 0.00 5.08 0.21 0.45 114.58 119.62 1iql h GLU 129 Ca -0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1iql h GLU 129 Cb 0.52 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1iql h GLU 129 CO 0.11 0.00 -0.56 1.03 -1.00 0.00 0.00 179.01 178.59 1iql h SER 130 N 0.00 0.00 0.00 1.42 0.87 -0.45 -3.38 113.55 112.00 1iql h SER 130 Ca 0.05 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1iql h SER 130 Cb 0.47 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1iql h SER 130 CO -0.00 0.82 -0.01 0.74 -0.53 0.00 0.00 176.83 177.84 1iql h THR 131 N -1.00 0.00 -0.58 2.23 2.02 -0.14 -3.31 112.91 112.13 1iql h THR 131 Ca -0.03 -0.13 0.12 0.00 0.77 0.00 0.00 66.41 67.14 1iql h THR 131 Cb 0.57 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.87 1iql h THR 131 CO -0.02 0.00 -0.18 -0.07 0.37 0.00 0.00 175.52 175.62 1iql h LEU 131 N -0.13 -0.65 -0.02 2.58 4.07 -1.19 -1.95 115.31 118.02 1iql h LEU 131 Ca 0.00 0.18 0.00 0.00 0.08 0.00 0.00 57.88 58.14 1iql h LEU 131 Cb 0.01 0.40 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1iql h LEU 131 CO 0.00 -0.22 0.00 0.23 -1.08 0.00 0.00 178.44 177.37 1iql n MET 131 N -5.42 0.01 -0.19 1.13 2.81 0.15 -2.90 117.12 112.71 1iql n MET 131 Ca 0.06 0.16 0.12 0.00 -1.81 0.00 0.00 57.70 56.23 1iql n MET 131 Cb 0.32 -1.52 0.21 0.00 -0.71 0.00 0.00 33.22 31.52 1iql n MET 131 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1iql n THR 132 N -1.54 0.52 -1.08 2.03 -2.24 -0.74 -4.95 114.28 106.28 1iql n THR 132 Ca 0.05 -0.76 -0.29 0.00 -2.27 0.00 0.00 64.05 60.77 1iql n THR 132 Cb 0.24 0.97 0.22 0.00 -2.10 0.00 0.00 70.33 69.66 1iql n THR 132 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1iql s GLN 133 N -1.44 -0.68 0.00 -0.78 -1.52 -1.14 -5.01 119.66 109.09 1iql s GLN 133 Ca 0.38 0.18 0.00 0.00 -1.95 0.00 0.00 55.36 53.96 1iql s GLN 133 Cb 0.22 -1.64 0.00 0.00 -0.22 0.00 0.00 33.01 31.37 1iql s GLN 133 CO 0.31 -3.40 0.23 1.63 -0.25 0.00 0.00 175.29 173.81 1iql n LYS 134 N -4.58 0.00 -2.76 2.91 4.76 -1.26 -4.70 118.16 112.52 1iql n LYS 134 Ca 0.10 0.34 -0.22 0.00 -2.87 0.00 0.00 58.31 55.65 1iql n LYS 134 Cb 0.59 -0.97 0.10 0.00 -1.84 0.00 0.00 35.03 32.90 1iql n LYS 134 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1iql s THR 135 N -1.13 2.09 0.02 -0.18 -1.32 -1.26 -1.84 115.64 112.02 1iql s THR 135 Ca 0.00 -0.75 -0.20 0.00 -1.21 0.00 0.00 61.69 59.53 1iql s THR 135 Cb 0.00 -2.34 0.04 0.00 -1.51 0.00 0.00 72.50 68.69 1iql s THR 135 CO 0.00 0.00 0.45 -0.83 -2.21 0.00 0.00 174.62 172.03 1iql s GLY 136 N -4.74 -0.32 -0.11 6.08 0.00 0.45 -4.79 107.32 103.90 1iql s GLY 136 Ca 0.65 0.49 -0.03 0.00 0.00 0.00 0.00 44.72 45.83 1iql s GLY 136 CO 0.43 0.22 0.02 -0.42 0.00 0.00 0.00 173.10 173.35 1iql s ILE 137 N -2.09 4.45 0.04 0.90 -1.09 0.15 0.03 121.20 123.59 1iql s ILE 137 Ca -0.08 -0.18 0.05 0.00 -2.23 0.00 0.00 60.65 58.21 1iql s ILE 137 Cb -0.01 -2.91 -0.02 0.00 -1.58 0.00 0.00 42.46 37.93 1iql s ILE 137 CO 0.01 0.57 -0.14 0.54 -1.23 0.00 0.00 174.94 174.68 1iql s VAL 138 N -0.54 1.13 0.12 2.92 0.11 -0.53 0.02 120.40 123.62 1iql s VAL 138 Ca 0.10 -1.01 -0.11 0.00 -2.93 0.00 0.00 61.98 58.02 1iql s VAL 138 Cb -0.12 -1.02 0.01 0.00 -1.53 0.00 0.00 36.38 33.72 1iql s VAL 138 CO 0.02 0.01 0.28 -0.94 -3.33 0.00 0.00 175.10 171.14 1iql s SER 139 N -1.15 -0.02 0.00 3.54 1.04 -1.19 -0.57 113.70 115.35 1iql s SER 139 Ca 0.02 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.88 1iql s SER 139 Cb -0.08 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1iql s SER 139 CO 0.01 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.04 1iql n GLY 140 N -0.15 -1.44 0.53 7.32 0.00 -1.08 -4.11 105.19 106.27 1iql n GLY 140 Ca -0.14 -1.01 0.07 0.00 0.00 0.00 0.00 46.02 44.94 1iql n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1iql n PHE 141 N 2.05 0.50 -1.09 1.61 3.72 -1.26 -2.22 117.46 120.77 1iql n PHE 141 Ca 0.00 -0.76 -0.30 0.00 -0.05 0.00 0.00 57.45 56.34 1iql n PHE 141 Cb 0.00 -0.18 0.14 0.00 -0.94 0.00 0.00 39.48 38.50 1iql n PHE 141 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1iql s GLY 142 N -1.79 1.64 0.12 1.37 0.00 -1.20 -3.02 107.32 104.44 1iql s GLY 142 Ca 0.30 0.12 -0.33 0.00 0.00 0.00 0.00 44.72 44.80 1iql s GLY 142 CO 0.08 0.58 0.81 0.54 0.00 0.00 0.00 173.10 175.11 1iql n ARG 143 N -3.93 0.14 0.30 2.90 1.74 -0.05 0.33 116.66 118.10 1iql n ARG 143 Ca 0.08 0.05 0.19 0.00 -0.77 0.00 0.00 57.85 57.40 1iql n ARG 143 Cb 0.54 -1.30 0.91 0.00 -1.02 0.00 0.00 32.46 31.59 1iql n ARG 143 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1iql h THR 144 N 1.96 0.05 0.00 0.55 1.35 -1.31 -0.90 112.91 114.60 1iql h THR 144 Ca -0.39 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1iql h THR 144 Cb 1.42 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 1iql h THR 144 CO 0.61 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 175.90 1iql n HIS 145 N -3.13 0.00 0.00 4.73 -0.00 -1.25 -3.36 115.22 112.21 1iql n HIS 145 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 1iql n HIS 145 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.20 1iql n HIS 145 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1iql n GLU 147 N 0.00 0.00 0.00 -1.40 1.02 -1.26 -0.12 120.64 118.87 1iql n GLU 147 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1iql n GLU 147 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1iql n GLU 147 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1iql n LYS 148 N 0.00 0.88 -0.89 3.49 5.02 -1.26 -4.87 118.16 120.53 1iql n LYS 148 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1iql n LYS 148 Cb 0.00 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1iql n LYS 148 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iql n GLY 149 N 0.21 1.93 3.91 0.72 0.00 0.82 -5.12 105.19 107.67 1iql n GLY 149 Ca 0.00 -2.12 -0.28 0.00 0.00 0.00 0.00 46.02 43.62 1iql n GLY 149 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1iql s ARG 150 N -1.44 3.59 0.00 1.61 1.70 -1.26 -4.88 118.95 118.26 1iql s ARG 150 Ca 0.00 -0.15 0.00 0.00 -0.47 0.00 0.00 55.73 55.11 1iql s ARG 150 Cb 0.00 -2.76 0.00 0.00 -0.57 0.00 0.00 34.95 31.62 1iql s ARG 150 CO 0.00 0.33 0.00 0.94 -1.08 0.00 0.00 175.30 175.49 1iql n GLN 151 N -0.67 0.00 0.00 3.89 -0.06 -1.26 -3.11 117.38 116.18 1iql n GLN 151 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.97 1iql n GLN 151 Cb 0.54 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.72 1iql n GLN 151 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1iql n SER 152 N 0.00 0.00 0.08 1.69 2.88 -1.17 -2.08 113.62 115.02 1iql n SER 152 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 1iql n SER 152 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 1iql n SER 152 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1iql h THR 153 N 0.00 1.42 -4.01 2.46 1.35 -1.93 -3.44 112.91 108.75 1iql h THR 153 Ca 0.00 -2.58 -0.45 0.00 -0.55 0.00 0.00 66.41 62.83 1iql h THR 153 Cb 0.00 3.14 -0.01 0.00 -1.73 0.00 0.00 68.15 69.54 1iql h THR 153 CO 0.00 0.75 0.35 -0.13 -0.25 0.00 0.00 175.52 176.24 1iql s ARG 154 N -2.48 4.26 -0.15 4.72 3.00 -1.26 -1.65 118.95 125.39 1iql s ARG 154 Ca -0.13 1.22 -0.23 0.00 0.00 0.00 0.00 55.73 56.60 1iql s ARG 154 Cb 0.02 -2.34 -0.02 0.00 0.00 0.00 0.00 34.95 32.61 1iql s ARG 154 CO 0.86 -0.01 0.73 -1.17 0.00 0.00 0.00 175.30 175.71 1iql s LEU 155 N -2.92 4.20 0.36 2.53 2.96 -0.44 -4.72 118.68 120.66 1iql s LEU 155 Ca 0.60 1.07 0.08 0.00 -0.22 0.00 0.00 54.13 55.66 1iql s LEU 155 Cb -0.13 -3.09 -0.04 0.00 0.50 0.00 0.00 46.19 43.43 1iql s LEU 155 CO 0.17 -0.28 0.17 -0.54 -1.32 0.00 0.00 176.35 174.56 1iql s LYS 156 N 1.71 2.37 -0.07 1.98 1.02 -0.94 -1.06 119.74 124.74 1iql s LYS 156 Ca 0.35 -1.60 -0.03 0.00 0.02 0.00 0.00 55.97 54.72 1iql s LYS 156 Cb -0.17 -2.16 0.04 0.00 -0.52 0.00 0.00 37.83 35.02 1iql s LYS 156 CO 0.13 0.04 0.14 0.00 -0.92 0.00 0.00 175.35 174.74 1iql s MET 157 N -3.89 0.04 -0.01 1.68 0.23 -0.80 -2.63 119.30 113.93 1iql s MET 157 Ca 0.39 0.46 0.05 0.00 -1.03 0.00 0.00 55.69 55.56 1iql s MET 157 Cb -0.01 -0.25 -0.03 0.00 -1.53 0.00 0.00 34.83 33.00 1iql s MET 157 CO 0.23 -0.25 -0.15 -1.17 -2.03 0.00 0.00 175.02 171.65 1iql s LEU 158 N 1.81 2.74 -0.89 0.18 0.20 0.26 -2.56 118.68 120.42 1iql s LEU 158 Ca -0.02 -0.27 -0.15 0.00 0.69 0.00 0.00 54.13 54.38 1iql s LEU 158 Cb -0.12 -1.58 0.19 0.00 -0.43 0.00 0.00 46.19 44.26 1iql s LEU 158 CO -0.05 0.31 0.92 -0.70 -0.29 0.00 0.00 176.35 176.53 1iql s GLU 159 N -1.06 3.66 -0.19 1.98 2.12 -1.26 -1.45 118.70 122.50 1iql s GLU 159 Ca 0.13 -2.30 -0.18 0.00 0.36 0.00 0.00 54.97 52.98 1iql s GLU 159 Cb -0.11 -4.61 -0.03 0.00 0.26 0.00 0.00 34.13 29.64 1iql s GLU 159 CO 0.03 -1.45 0.51 0.14 -0.54 0.00 0.00 175.26 173.95 1iql s VAL 160 N 0.89 5.12 0.34 3.70 -7.23 0.10 -4.73 120.40 118.59 1iql s VAL 160 Ca 0.24 0.95 -0.26 0.00 -1.81 0.00 0.00 61.98 61.11 1iql s VAL 160 Cb -0.08 -3.84 -0.09 0.00 0.56 0.00 0.00 36.38 32.93 1iql s VAL 160 CO -0.09 0.20 1.00 -2.16 -0.31 0.00 0.00 175.10 173.74 1iql s PRO 161 N 1.51 4.45 0.56 4.82 0.04 -1.26 -0.41 135.00 144.70 1iql s PRO 161 Ca 0.24 1.46 -0.21 0.00 0.04 0.00 0.00 61.00 62.53 1iql s PRO 161 Cb -0.15 -2.77 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 1iql s PRO 161 CO 0.10 0.13 1.33 0.71 0.04 0.00 0.00 177.00 179.31 1iql s TYR 162 N -1.56 2.29 -0.03 0.56 2.02 -0.76 -1.56 117.35 118.30 1iql s TYR 162 Ca 0.52 1.40 0.01 0.00 -0.37 0.00 0.00 57.07 58.63 1iql s TYR 162 Cb -0.22 -3.75 -0.03 0.00 -0.40 0.00 0.00 41.96 37.56 1iql s TYR 162 CO 0.27 -2.80 -0.01 0.08 -1.57 0.00 0.00 175.55 171.52 1iql s VAL 163 N -1.34 4.10 0.22 0.71 1.01 -1.19 -4.82 120.40 119.10 1iql s VAL 163 Ca 0.73 -0.49 -0.32 0.00 0.00 0.00 0.00 61.98 61.90 1iql s VAL 163 Cb -0.39 -2.78 -0.12 0.00 0.00 0.00 0.00 36.38 33.09 1iql s VAL 163 CO 0.45 0.48 1.68 -0.67 0.00 0.00 0.00 175.10 177.04 1iql n ASP 164 N 1.74 3.89 -0.28 3.32 -0.08 -1.26 -4.70 116.55 119.19 1iql n ASP 164 Ca -0.16 1.08 0.00 0.00 -1.51 0.00 0.00 54.79 54.20 1iql n ASP 164 Cb 0.53 -1.57 0.21 0.00 2.34 0.00 0.00 41.12 42.63 1iql n ASP 164 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1iql h ARG 165 N 6.24 1.09 -0.16 -0.67 2.43 -1.97 0.50 114.38 121.83 1iql h ARG 165 Ca -0.44 -0.07 -0.21 0.00 -0.81 0.00 0.00 59.98 58.46 1iql h ARG 165 Cb 1.21 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1iql h ARG 165 CO 0.91 0.72 -0.72 -0.91 -1.51 0.00 0.00 179.97 178.46 1iql h ASN 166 N 1.12 0.84 1.01 -3.80 -0.26 -1.99 0.74 115.58 113.24 1iql h ASN 166 Ca 0.32 -0.53 0.00 0.00 -0.56 0.00 0.00 56.30 55.53 1iql h ASN 166 Cb -0.07 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 36.94 1iql h ASN 166 CO -0.08 1.32 0.00 -0.24 -1.06 0.00 0.00 177.43 177.37 1iql n SER 167 N -3.93 0.31 -0.06 5.81 2.88 -0.95 -2.52 113.62 115.17 1iql n SER 167 Ca -0.06 0.54 -0.01 0.00 -1.33 0.00 0.00 58.87 58.01 1iql n SER 167 Cb 0.71 -0.62 -0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1iql n SER 167 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1iql h LYS 169 N -0.99 0.18 -0.25 0.00 1.57 -0.85 -1.62 116.57 114.60 1iql h LYS 169 Ca 0.00 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.58 1iql h LYS 169 Cb 0.15 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1iql h LYS 169 CO 0.00 0.12 -0.60 -0.07 -0.57 0.00 0.00 179.45 178.34 1iql h LEU 170 N 0.19 0.94 -1.18 2.94 3.38 -1.64 -3.23 115.31 116.71 1iql h LEU 170 Ca 0.37 -0.53 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 1iql h LEU 170 Cb 1.16 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1iql h LEU 170 CO -0.07 1.32 -0.36 0.77 0.09 0.00 0.00 178.44 180.19 1iql h SER 171 N 0.63 0.00 -0.40 -0.43 4.64 -1.34 -3.46 113.55 113.20 1iql h SER 171 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1iql h SER 171 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1iql h SER 171 CO 0.13 0.36 0.00 -0.24 -0.87 0.00 0.00 176.83 176.21 1iql n SER 172 N -3.79 -0.79 0.00 4.97 2.88 -1.10 -4.76 113.62 111.03 1iql n SER 172 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1iql n SER 172 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 1iql n SER 172 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1iql n SER 173 N -1.19 0.00 -3.83 -3.46 7.64 -1.26 -5.10 113.62 106.42 1iql n SER 173 Ca 0.00 -1.00 -0.12 0.00 1.01 0.00 0.00 58.87 58.76 1iql n SER 173 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1iql n SER 173 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1iql s PHE 174 N 0.00 -0.09 0.30 1.43 0.08 -1.26 -5.13 117.98 113.31 1iql s PHE 174 Ca 0.00 0.16 -0.28 0.00 0.12 0.00 0.00 56.93 56.93 1iql s PHE 174 Cb 0.00 0.02 -0.14 0.00 -0.57 0.00 0.00 43.02 42.33 1iql s PHE 174 CO 0.00 -0.25 1.12 -0.89 -0.10 0.00 0.00 175.22 175.10 1iql n ILE 175 N 1.90 1.90 -3.59 0.64 2.08 -1.26 -4.93 119.36 116.11 1iql n ILE 175 Ca -0.19 -0.48 -0.40 0.00 0.56 0.00 0.00 62.75 62.25 1iql n ILE 175 Cb 0.57 -1.18 -0.07 0.00 -0.75 0.00 0.00 39.64 38.21 1iql n ILE 175 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1iql s ILE 176 N -0.98 4.41 1.38 1.39 -1.09 -1.26 -5.08 121.20 119.97 1iql s ILE 176 Ca 0.59 -3.00 -0.20 0.00 -2.23 0.00 0.00 60.65 55.81 1iql s ILE 176 Cb -0.67 -3.79 0.35 0.00 -1.58 0.00 0.00 42.46 36.78 1iql s ILE 176 CO 0.60 -0.96 0.94 0.42 -1.23 0.00 0.00 174.94 174.70 1iql s THR 177 N -0.26 1.38 0.48 2.92 -4.23 -1.26 -4.86 115.64 109.82 1iql s THR 177 Ca 0.19 0.00 0.36 0.00 -1.18 0.00 0.00 61.69 61.07 1iql s THR 177 Cb -0.15 -2.04 0.39 0.00 1.34 0.00 0.00 72.50 72.04 1iql s THR 177 CO -0.06 0.00 2.21 0.06 -0.54 0.00 0.00 174.62 176.29 1iql h GLN 178 N -3.30 0.00 -1.14 3.99 -0.00 -2.04 -2.76 115.11 109.86 1iql h GLN 178 Ca -0.49 0.00 -0.23 0.00 -0.00 0.00 0.00 58.65 57.94 1iql h GLN 178 Cb 1.34 0.00 -0.12 0.00 -0.00 0.00 0.00 27.48 28.70 1iql h GLN 178 CO 0.34 0.03 0.29 0.09 -0.00 0.00 0.00 178.83 179.58 1iql n ASN 179 N -3.32 4.02 -3.75 0.06 3.02 -1.26 -4.85 115.26 109.17 1iql n ASN 179 Ca -0.02 -2.73 -0.11 0.00 -0.03 0.00 0.00 54.58 51.68 1iql n ASN 179 Cb 0.16 -0.74 -0.05 0.00 -0.61 0.00 0.00 39.78 38.54 1iql n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1iql s MET 180 N -1.40 1.64 -0.29 3.52 -1.94 -1.04 -2.36 119.30 117.42 1iql s MET 180 Ca 0.24 -1.47 -0.18 0.00 -1.71 0.00 0.00 55.69 52.57 1iql s MET 180 Cb 0.20 0.44 0.18 0.00 2.01 0.00 0.00 34.83 37.66 1iql s MET 180 CO 0.03 -0.67 1.18 -0.59 -0.01 0.00 0.00 175.02 174.96 1iql s PHE 181 N -3.68 -0.26 0.82 -0.03 -0.12 -0.86 -4.69 117.98 109.17 1iql s PHE 181 Ca 0.27 0.55 -0.11 0.00 -0.05 0.00 0.00 56.93 57.58 1iql s PHE 181 Cb 0.00 0.23 0.08 0.00 -0.63 0.00 0.00 43.02 42.71 1iql s PHE 181 CO 0.13 -0.13 1.09 0.00 -0.05 0.00 0.00 175.22 176.26 1iql s ALA 183 N -3.06 -2.27 0.00 0.00 0.00 -0.04 -3.16 121.76 113.22 1iql s ALA 183 Ca 0.61 2.14 0.00 0.00 0.00 0.00 0.00 51.96 54.71 1iql s ALA 183 Cb -0.16 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.26 1iql s ALA 183 CO 0.55 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.40 1iql n GLY 184 N 3.42 0.39 3.31 0.00 0.00 -0.60 -1.52 105.19 110.19 1iql n GLY 184 Ca -0.18 -1.23 -0.16 0.00 0.00 0.00 0.00 46.02 44.46 1iql n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iql s TYR 185 N -4.00 1.47 -0.07 1.61 2.02 -1.26 -4.23 117.35 112.90 1iql s TYR 185 Ca 0.00 -0.97 -0.02 0.00 -0.37 0.00 0.00 57.07 55.72 1iql s TYR 185 Cb 0.00 -0.85 -0.01 0.00 -0.40 0.00 0.00 41.96 40.70 1iql s TYR 185 CO 0.00 -0.11 0.08 0.22 -1.57 0.00 0.00 175.55 174.18 1iql h ASP 185 N 2.52 -0.05 0.00 2.29 -0.00 -1.90 -3.41 116.42 115.87 1iql h ASP 185 Ca -0.38 0.00 -0.08 0.00 -0.00 0.00 0.00 57.03 56.57 1iql h ASP 185 Cb 1.22 0.01 -0.01 0.00 -0.00 0.00 0.00 39.33 40.55 1iql h ASP 185 CO 0.64 0.31 -1.29 0.35 -0.00 0.00 0.00 179.24 179.24 1iql n THR 185 N -4.07 0.30 -1.50 2.25 -2.24 -1.26 -2.27 114.28 105.48 1iql n THR 185 Ca -0.01 -0.14 -0.58 0.00 -2.27 0.00 0.00 64.05 61.05 1iql n THR 185 Cb 0.02 -0.78 -0.09 0.00 -2.10 0.00 0.00 70.33 67.38 1iql n THR 185 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1iql n LYS 186 N -2.43 0.60 -1.36 -0.78 0.00 -1.26 -4.71 118.16 108.21 1iql n LYS 186 Ca -0.08 0.19 -0.20 0.00 0.00 0.00 0.00 58.31 58.21 1iql n LYS 186 Cb 0.62 -1.92 -0.12 0.00 0.00 0.00 0.00 35.03 33.61 1iql n LYS 186 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1iql n GLN 187 N 6.59 0.08 -3.66 1.64 1.13 -1.26 -4.75 117.38 117.15 1iql n GLN 187 Ca 0.40 -1.57 -0.08 0.00 -1.94 0.00 0.00 57.00 53.82 1iql n GLN 187 Cb 0.07 -3.66 -0.09 0.00 0.11 0.00 0.00 30.24 26.68 1iql n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1iql s GLU 188 N 8.24 0.37 -0.11 -1.09 2.02 -1.26 -4.36 118.70 122.50 1iql s GLU 188 Ca 0.79 1.07 -0.33 0.00 0.02 0.00 0.00 54.97 56.52 1iql s GLU 188 Cb -0.01 0.37 0.14 0.00 0.10 0.00 0.00 34.13 34.73 1iql s GLU 188 CO 0.22 -0.23 1.39 0.34 0.02 0.00 0.00 175.26 177.00 1iql s ASP 189 N 2.52 -0.02 1.06 -0.19 2.15 -1.18 -4.38 116.67 116.64 1iql s ASP 189 Ca -0.03 -0.03 -0.17 0.00 0.43 0.00 0.00 52.55 52.75 1iql s ASP 189 Cb -0.12 0.05 0.23 0.00 -0.30 0.00 0.00 42.92 42.78 1iql s ASP 189 CO -0.14 -0.09 1.21 0.00 -0.17 0.00 0.00 175.17 175.99 1iql s ALA 190 N -2.13 1.49 0.05 3.66 0.00 -1.26 -0.52 121.76 123.05 1iql s ALA 190 Ca 0.14 -1.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.03 1iql s ALA 190 Cb 0.05 -2.85 0.02 0.00 0.00 0.00 0.00 23.12 20.34 1iql s ALA 190 CO -0.05 -2.91 0.28 0.00 0.00 0.00 0.00 175.76 173.08 1iql n GLN 192 N -0.20 1.49 -0.50 0.00 7.27 -1.26 -1.31 117.38 122.87 1iql n GLN 192 Ca -0.01 0.53 0.00 0.00 0.07 0.00 0.00 57.00 57.59 1iql n GLN 192 Cb 0.16 -2.09 0.00 0.00 2.41 0.00 0.00 30.24 30.72 1iql n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1iql n GLY 193 N 2.10 0.75 0.02 1.69 0.00 -1.26 -0.87 105.19 107.62 1iql n GLY 193 Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.18 1iql n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iql n ASP 194 N 0.00 2.65 -4.52 1.61 10.43 -0.43 -3.24 116.55 123.05 1iql n ASP 194 Ca 0.00 0.00 -0.48 0.00 2.57 0.00 0.00 54.79 56.88 1iql n ASP 194 Cb 0.00 1.27 -0.03 0.00 1.84 0.00 0.00 41.12 44.20 1iql n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1iql n SER 195 N -1.99 0.42 0.00 -2.24 7.64 -1.25 0.11 113.62 116.30 1iql n SER 195 Ca -0.06 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1iql n SER 195 Cb 0.41 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 1iql n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iql n GLY 196 N 1.70 3.11 3.38 0.23 0.00 0.23 -0.20 105.19 113.64 1iql n GLY 196 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1iql n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iql n GLY 197 N -2.00 -2.21 3.84 -0.02 0.00 0.31 -2.94 105.19 102.17 1iql n GLY 197 Ca 0.00 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 1iql n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iql s PRO 198 N -3.92 4.05 -0.20 1.61 0.04 -1.26 -2.22 135.00 133.11 1iql s PRO 198 Ca 0.62 0.68 -0.01 0.00 0.04 0.00 0.00 61.00 62.33 1iql s PRO 198 Cb -0.19 -2.62 0.05 0.00 0.04 0.00 0.00 34.50 31.79 1iql s PRO 198 CO 0.66 0.26 -0.03 -1.58 0.04 0.00 0.00 177.00 176.35 1iql s HIS 199 N -1.80 1.81 0.18 0.56 2.46 -1.00 -3.15 115.29 114.34 1iql s HIS 199 Ca 0.49 -1.28 0.11 0.00 0.47 0.00 0.00 55.06 54.85 1iql s HIS 199 Cb -0.12 -1.35 -0.04 0.00 -0.13 0.00 0.00 32.58 30.93 1iql s HIS 199 CO 0.19 -0.67 -0.24 0.08 -2.47 0.00 0.00 174.74 171.63 1iql s VAL 200 N 1.60 2.40 -0.09 0.89 1.01 0.10 -0.98 120.40 125.33 1iql s VAL 200 Ca -0.02 -1.94 0.04 0.00 0.00 0.00 0.00 61.98 60.06 1iql s VAL 200 Cb -0.17 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 1iql s VAL 200 CO -0.07 -0.07 -0.23 -0.89 0.00 0.00 0.00 175.10 173.84 1iql s THR 201 N -1.54 2.20 -0.05 3.92 2.01 -0.56 0.31 115.64 121.93 1iql s THR 201 Ca 0.20 -0.99 -0.18 0.00 0.31 0.00 0.00 61.69 61.03 1iql s THR 201 Cb -0.08 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.54 1iql s THR 201 CO 0.09 0.56 0.48 -0.60 -0.69 0.00 0.00 174.62 174.47 1iql s ARG 202 N 0.15 4.20 -0.23 4.92 3.52 -1.26 -1.06 118.95 129.19 1iql s ARG 202 Ca -0.12 0.51 -0.03 0.00 -0.13 0.00 0.00 55.73 55.96 1iql s ARG 202 Cb -0.16 -3.34 0.11 0.00 -1.56 0.00 0.00 34.95 30.00 1iql s ARG 202 CO 0.07 0.40 0.24 0.12 -0.81 0.00 0.00 175.30 175.32 1iql s PHE 203 N -0.18 -0.31 -1.17 5.12 5.36 -0.18 -4.92 117.98 121.69 1iql s PHE 203 Ca 0.26 0.07 -0.07 0.00 -0.96 0.00 0.00 56.93 56.24 1iql s PHE 203 Cb -0.17 -0.41 -0.02 0.00 -0.34 0.00 0.00 43.02 42.08 1iql s PHE 203 CO 0.13 -0.71 0.84 1.63 -1.46 0.00 0.00 175.22 175.65 1iql n LYS 204 N 5.31 -3.50 -3.53 10.12 5.02 -1.26 -2.73 118.16 127.59 1iql n LYS 204 Ca -0.05 0.70 -0.25 0.00 -2.02 0.00 0.00 58.31 56.69 1iql n LYS 204 Cb 0.48 -5.27 0.05 0.00 -0.02 0.00 0.00 35.03 30.27 1iql n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1iql n ASP 205 N -3.04 -5.67 -3.54 4.39 8.00 -1.26 -4.97 116.55 110.46 1iql n ASP 205 Ca -0.18 -0.54 -0.07 0.00 0.71 0.00 0.00 54.79 54.71 1iql n ASP 205 Cb 0.64 -4.52 -0.08 0.00 -0.02 0.00 0.00 41.12 37.14 1iql n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1iql s THR 206 N -3.25 -0.68 0.33 -3.53 2.01 -1.11 -5.16 115.64 104.26 1iql s THR 206 Ca 0.53 0.08 -0.10 0.00 0.31 0.00 0.00 61.69 62.51 1iql s THR 206 Cb -0.25 -0.75 -0.07 0.00 0.01 0.00 0.00 72.50 71.45 1iql s THR 206 CO 0.65 0.01 0.67 -0.31 -0.69 0.00 0.00 174.62 174.95 1iql s TYR 207 N 2.62 3.44 0.02 4.92 1.51 -1.26 -1.01 117.35 127.59 1iql s TYR 207 Ca 0.04 0.96 0.02 0.00 -1.01 0.00 0.00 57.07 57.08 1iql s TYR 207 Cb -0.13 -2.35 -0.01 0.00 -0.11 0.00 0.00 41.96 39.35 1iql s TYR 207 CO -0.14 0.07 -0.08 -0.06 -1.11 0.00 0.00 175.55 174.22 1iql s PHE 208 N -2.12 0.68 -0.03 2.71 0.08 -0.22 -3.23 117.98 115.84 1iql s PHE 208 Ca 0.50 -0.27 -0.30 0.00 0.12 0.00 0.00 56.93 56.98 1iql s PHE 208 Cb -0.11 -0.42 -0.05 0.00 -0.57 0.00 0.00 43.02 41.88 1iql s PHE 208 CO 0.26 -0.03 1.39 0.08 -0.10 0.00 0.00 175.22 176.82 1iql s VAL 209 N -0.65 3.83 -0.00 -0.44 1.01 0.93 -1.49 120.40 123.58 1iql s VAL 209 Ca -0.02 1.17 0.01 0.00 0.00 0.00 0.00 61.98 63.13 1iql s VAL 209 Cb -0.06 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.58 1iql s VAL 209 CO 0.00 -0.02 0.67 0.35 0.00 0.00 0.00 175.10 176.10 1iql n THR 210 N 4.83 0.25 -3.59 3.92 -2.24 -0.15 -4.56 114.28 112.73 1iql n THR 210 Ca 0.13 -0.26 0.01 0.00 -2.27 0.00 0.00 64.05 61.66 1iql n THR 210 Cb 0.44 0.81 -0.01 0.00 -2.10 0.00 0.00 70.33 69.47 1iql n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1iql s GLY 211 N -0.39 -0.38 -0.08 3.38 0.00 -0.83 -4.25 107.32 104.77 1iql s GLY 211 Ca 0.01 1.31 -0.02 0.00 0.00 0.00 0.00 44.72 46.02 1iql s GLY 211 CO 0.00 0.35 0.04 -0.42 0.00 0.00 0.00 173.10 173.07 1iql s ILE 212 N -2.08 0.14 -0.68 0.90 1.01 -1.11 -2.39 121.20 117.00 1iql s ILE 212 Ca 0.14 0.18 -0.31 0.00 0.00 0.00 0.00 60.65 60.66 1iql s ILE 212 Cb 0.04 -0.41 -0.15 0.00 0.01 0.00 0.00 42.46 41.95 1iql s ILE 212 CO -0.05 0.15 2.49 0.52 0.00 0.00 0.00 174.94 178.05 1iql n VAL 213 N 5.22 0.00 -0.00 2.92 0.31 -0.94 -1.20 118.33 124.63 1iql n VAL 213 Ca -0.05 -0.33 -0.00 0.00 -0.01 0.00 0.00 64.34 63.94 1iql n VAL 213 Cb 0.50 -1.52 -0.00 0.00 -0.91 0.00 0.00 33.84 31.91 1iql n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1iql n SER 214 N 12.19 0.05 -2.88 4.52 2.88 -1.08 0.74 113.62 130.04 1iql n SER 214 Ca 0.51 0.10 -0.09 0.00 -1.33 0.00 0.00 58.87 58.07 1iql n SER 214 Cb 0.24 -0.51 0.03 0.00 -0.75 0.00 0.00 64.21 63.22 1iql n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1iql s TRP 215 N -1.05 0.14 0.01 0.66 1.48 -0.40 -4.82 118.94 114.97 1iql s TRP 215 Ca -0.01 -0.82 -0.29 0.00 -1.06 0.00 0.00 56.10 53.92 1iql s TRP 215 Cb 0.00 0.84 0.11 0.00 -1.16 0.00 0.00 33.47 33.26 1iql s TRP 215 CO 0.01 -1.57 1.15 0.20 -4.06 0.00 0.00 176.95 172.68 1iql s GLY 216 N -3.10 -0.35 -0.76 3.67 0.00 -1.26 0.58 107.32 106.10 1iql s GLY 216 Ca 0.16 0.68 -0.13 0.00 0.00 0.00 0.00 44.72 45.44 1iql s GLY 216 CO 0.11 0.16 0.69 -0.54 0.00 0.00 0.00 173.10 173.52 1iql s GLU 217 N -2.73 3.38 1.86 2.90 2.02 -1.26 -4.93 118.70 119.95 1iql s GLU 217 Ca 0.12 -2.37 0.00 0.00 0.02 0.00 0.00 54.97 52.74 1iql s GLU 217 Cb 0.02 -4.32 0.00 0.00 0.10 0.00 0.00 34.13 29.93 1iql s GLU 217 CO -0.03 -1.28 0.00 0.41 0.02 0.00 0.00 175.26 174.39 1iql n GLY 218 N 4.08 0.54 2.97 -1.39 0.00 -1.26 -4.66 105.19 105.47 1iql n GLY 218 Ca 0.09 -1.33 -0.10 0.00 0.00 0.00 0.00 46.02 44.69 1iql n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iql n ALA 221 N 5.37 -2.22 -2.81 0.00 0.00 -1.26 -4.60 120.51 114.98 1iql n ALA 221 Ca -0.05 -0.10 -0.30 0.00 0.00 0.00 0.00 53.44 52.99 1iql n ALA 221 Cb 0.50 -3.27 -0.04 0.00 0.00 0.00 0.00 19.45 16.64 1iql n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1iql s ARG 222 N -5.55 3.52 0.30 0.00 0.52 -1.26 -4.76 118.95 111.71 1iql s ARG 222 Ca 0.19 -0.31 -0.29 0.00 -0.52 0.00 0.00 55.73 54.80 1iql s ARG 222 Cb -0.05 -2.94 -0.10 0.00 0.52 0.00 0.00 34.95 32.39 1iql s ARG 222 CO 0.79 0.52 1.21 -1.59 0.02 0.00 0.00 175.30 176.26 1iql s LYS 223 N -2.72 4.49 -0.19 3.54 0.00 -1.25 -2.70 119.74 120.90 1iql s LYS 223 Ca 0.38 2.02 0.00 0.00 0.00 0.00 0.00 55.97 58.36 1iql s LYS 223 Cb -0.12 -3.13 0.00 0.00 0.00 0.00 0.00 37.83 34.58 1iql s LYS 223 CO 0.27 -0.01 0.00 0.41 0.00 0.00 0.00 175.35 176.02 1iql n GLY 223 N 1.06 0.54 3.11 0.59 0.00 -0.96 -5.01 105.19 104.51 1iql n GLY 223 Ca -0.00 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 1iql n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iql s LYS 224 N -1.51 0.58 0.33 1.61 -0.14 -1.10 -4.70 119.74 114.82 1iql s LYS 224 Ca 0.00 -0.76 0.03 0.00 -1.36 0.00 0.00 55.97 53.89 1iql s LYS 224 Cb 0.00 0.23 -0.05 0.00 -1.68 0.00 0.00 37.83 36.33 1iql s LYS 224 CO 0.00 -0.14 0.10 0.71 -0.76 0.00 0.00 175.35 175.26 1iql s TYR 225 N -2.60 1.78 -0.11 3.18 2.02 -1.26 -4.59 117.35 115.77 1iql s TYR 225 Ca -0.05 -1.15 -0.20 0.00 -0.37 0.00 0.00 57.07 55.30 1iql s TYR 225 Cb -0.01 -1.11 -0.04 0.00 -0.40 0.00 0.00 41.96 40.39 1iql s TYR 225 CO -0.05 -0.22 0.57 0.20 -1.57 0.00 0.00 175.55 174.48 1iql s GLY 226 N -3.47 2.44 -0.22 0.71 0.00 -0.57 -4.37 107.32 101.84 1iql s GLY 226 Ca 0.33 -0.09 -0.15 0.00 0.00 0.00 0.00 44.72 44.81 1iql s GLY 226 CO 0.15 0.96 0.37 -0.42 0.00 0.00 0.00 173.10 174.16 1iql s ILE 227 N 0.80 5.21 0.18 0.90 -1.09 0.20 -0.86 121.20 126.54 1iql s ILE 227 Ca 0.30 0.63 0.09 0.00 -2.23 0.00 0.00 60.65 59.44 1iql s ILE 227 Cb -0.16 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 1iql s ILE 227 CO 0.13 0.25 -0.12 -0.31 -1.23 0.00 0.00 174.94 173.66 1iql s TYR 228 N 1.40 2.58 0.11 3.97 1.51 -0.93 -1.27 117.35 124.72 1iql s TYR 228 Ca 0.17 -0.24 -0.30 0.00 -1.01 0.00 0.00 57.07 55.69 1iql s TYR 228 Cb -0.15 -1.26 -0.06 0.00 -0.11 0.00 0.00 41.96 40.38 1iql s TYR 228 CO 0.08 0.51 1.01 0.99 -1.11 0.00 0.00 175.55 177.03 1iql s THR 229 N -1.70 4.36 -0.77 -0.71 2.01 -0.35 -2.02 115.64 116.46 1iql s THR 229 Ca 0.24 1.94 -0.25 0.00 0.31 0.00 0.00 61.69 63.93 1iql s THR 229 Cb -0.09 -4.24 0.05 0.00 0.01 0.00 0.00 72.50 68.23 1iql s THR 229 CO 0.14 0.29 1.23 -0.75 -0.69 0.00 0.00 174.62 174.84 1iql s LYS 230 N 0.05 3.25 0.32 4.92 2.20 -0.99 -2.73 119.74 126.76 1iql s LYS 230 Ca 0.48 -0.58 -0.00 0.00 -0.36 0.00 0.00 55.97 55.52 1iql s LYS 230 Cb -0.25 -4.40 0.51 0.00 -1.51 0.00 0.00 37.83 32.18 1iql s LYS 230 CO 0.31 -2.07 1.96 0.28 -0.36 0.00 0.00 175.35 175.47 1iql h VAL 231 N 6.12 1.19 0.00 4.02 2.07 -1.91 -2.53 116.25 125.22 1iql h VAL 231 Ca -0.19 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1iql h VAL 231 Cb 1.05 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1iql h VAL 231 CO 1.27 0.20 -0.03 0.71 0.02 0.00 0.00 177.57 179.74 1iql h THR 232 N 0.97 0.34 -0.00 2.57 1.35 -1.89 -0.02 112.91 116.23 1iql h THR 232 Ca 0.25 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 1iql h THR 232 Cb -0.05 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 1iql h THR 232 CO -0.05 0.03 -0.17 0.00 -0.25 0.00 0.00 175.52 175.08 1iql n ALA 233 N -2.22 2.77 0.08 6.62 0.00 -0.95 -3.80 120.51 123.01 1iql n ALA 233 Ca -0.02 -0.20 0.02 0.00 0.00 0.00 0.00 53.44 53.23 1iql n ALA 233 Cb 0.13 -1.34 0.02 0.00 0.00 0.00 0.00 19.45 18.26 1iql n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1iql n PHE 234 N -1.43 0.04 -0.02 0.00 3.72 -0.08 -4.82 117.46 114.88 1iql n PHE 234 Ca 0.08 -0.15 -0.01 0.00 -0.05 0.00 0.00 57.45 57.31 1iql n PHE 234 Cb 0.33 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 38.85 1iql n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1iql h LEU 235 N 0.63 -0.16 -1.74 4.37 4.07 -1.51 0.43 115.31 121.40 1iql h LEU 235 Ca 0.00 0.02 0.32 0.00 0.08 0.00 0.00 57.88 58.31 1iql h LEU 235 Cb 0.27 0.07 -0.07 0.00 1.08 0.00 0.00 40.66 42.01 1iql h LEU 235 CO 0.00 -0.03 0.79 0.11 -1.08 0.00 0.00 178.44 178.24 1iql h LYS 236 N -0.02 0.14 -0.07 1.13 1.57 -1.88 0.49 116.57 117.93 1iql h LYS 236 Ca 0.01 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1iql h LYS 236 Cb 0.04 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1iql h LYS 236 CO -0.06 0.09 -0.14 2.35 -0.57 0.00 0.00 179.45 181.12 1iql h TRP 237 N 0.14 0.28 -0.97 -1.35 7.01 -1.14 -2.20 115.95 117.72 1iql h TRP 237 Ca 0.59 -0.10 0.00 0.00 2.11 0.00 0.00 58.89 61.49 1iql h TRP 237 Cb 2.03 -0.05 -0.05 0.00 -2.10 0.00 0.00 29.16 28.99 1iql h TRP 237 CO -0.00 0.74 0.61 0.82 -2.79 0.00 0.00 178.44 177.82 1iql h ILE 238 N -0.26 1.26 -0.28 2.65 2.04 0.29 -1.27 117.51 121.95 1iql h ILE 238 Ca 0.00 -0.52 0.03 0.00 1.00 0.00 0.00 64.86 65.37 1iql h ILE 238 Cb 0.73 -0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 1iql h ILE 238 CO 0.03 0.26 0.09 -0.78 0.00 0.00 0.00 178.15 177.75 1iql h ASP 239 N 1.33 0.09 -0.30 1.72 3.58 -0.11 -1.87 116.42 120.86 1iql h ASP 239 Ca 0.35 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.82 1iql h ASP 239 Cb -0.10 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 1iql h ASP 239 CO -0.07 0.09 0.14 0.03 -2.88 0.00 0.00 179.24 176.55 1iql h ARG 240 N 0.21 0.43 -0.99 0.28 3.08 -0.87 -2.85 114.38 113.68 1iql h ARG 240 Ca 0.13 -0.07 0.13 0.00 0.07 0.00 0.00 59.98 60.24 1iql h ARG 240 Cb 0.10 -0.08 -0.09 0.00 0.08 0.00 0.00 29.97 29.99 1iql h ARG 240 CO -0.13 0.41 0.62 0.77 -1.07 0.00 0.00 179.97 180.57 1iql h SER 241 N 0.35 0.88 0.00 7.04 0.02 -0.90 0.90 113.55 121.83 1iql h SER 241 Ca 0.10 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1iql h SER 241 Cb 0.12 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1iql h SER 241 CO -0.01 0.44 0.00 0.23 -1.14 0.00 0.00 176.83 176.35 1iql n MET 242 N -4.64 0.80 -0.03 3.45 2.81 -0.73 -0.92 117.12 117.87 1iql n MET 242 Ca 0.20 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 56.11 1iql n MET 242 Cb 0.41 -1.29 0.04 0.00 -0.71 0.00 0.00 33.22 31.66 1iql n MET 242 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1iql n LYS 243 N -0.06 2.35 -2.01 0.03 4.01 0.31 -5.07 118.16 117.72 1iql n LYS 243 Ca 0.00 -1.77 0.00 0.00 -0.51 0.00 0.00 58.31 56.03 1iql n LYS 243 Cb 0.15 -1.12 0.00 0.00 -0.51 0.00 0.00 35.03 33.55 1iql n LYS 243 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1iql n THR 244 N -0.75-13.09 0.00 -0.18 -1.04 -0.09 -5.11 114.28 94.02 1iql n THR 244 Ca 0.05 3.27 0.00 0.00 -2.04 0.00 0.00 64.05 65.32 1iql n THR 244 Cb 0.38 -5.44 0.00 0.00 -1.82 0.00 0.00 70.33 63.45 1iql n THR 244 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29