#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ioe s VAL 17 N 0.00 5.01 0.00 1.39 1.01 -0.14 -4.42 120.40 123.25 1ioe s VAL 17 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.02 1ioe s VAL 17 Cb 0.00 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1ioe s VAL 17 CO 0.00 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.76 1ioe n GLY 18 N 4.24 -0.20 0.69 4.51 0.00 -1.26 -3.05 105.19 110.12 1ioe n GLY 18 Ca -0.02 -1.04 0.09 0.00 0.00 0.00 0.00 46.02 45.05 1ioe n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ioe n GLY 19 N 0.00 -2.14 0.00 -0.02 0.00 -1.26 -4.91 105.19 96.86 1ioe n GLY 19 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1ioe n GLY 19 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ioe n GLN 20 N -3.20 2.18 -5.26 1.61 1.13 -0.78 -4.93 117.38 108.14 1ioe n GLN 20 Ca -0.01 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.73 1ioe n GLN 20 Cb 0.32 0.00 -0.16 0.00 0.11 0.00 0.00 30.24 30.50 1ioe n GLN 20 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1ioe s GLU 21 N 1.58 2.45 -0.48 -1.09 2.12 -1.26 -3.15 118.70 118.87 1ioe s GLU 21 Ca 0.00 -0.90 -0.27 0.00 0.36 0.00 0.00 54.97 54.16 1ioe s GLU 21 Cb 0.00 -2.12 -0.02 0.00 0.26 0.00 0.00 34.13 32.25 1ioe s GLU 21 CO 0.00 0.41 1.83 0.00 -0.54 0.00 0.00 175.26 176.96 1ioe s LYS 23 N 6.40 2.28 -0.20 0.00 -0.14 -1.26 -4.85 119.74 121.97 1ioe s LYS 23 Ca 0.73 1.11 -0.40 0.00 -1.36 0.00 0.00 55.97 56.05 1ioe s LYS 23 Cb -0.17 -1.90 -0.17 0.00 -1.68 0.00 0.00 37.83 33.91 1ioe s LYS 23 CO 0.27 -1.61 1.61 -3.47 -0.76 0.00 0.00 175.35 171.38 1ioe n ASP 24 N -3.49 1.99 0.00 2.83 4.64 -1.26 -0.79 116.55 120.47 1ioe n ASP 24 Ca 0.09 1.10 0.00 0.00 -1.38 0.00 0.00 54.79 54.60 1ioe n ASP 24 Cb 0.53 -1.12 0.00 0.00 -1.04 0.00 0.00 41.12 39.50 1ioe n ASP 24 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1ioe n GLY 25 N 3.66 1.90 0.19 0.27 0.00 -1.26 -4.93 105.19 105.02 1ioe n GLY 25 Ca 0.25 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.10 1ioe n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ioe h GLU 26 N 2.69 0.65 -2.24 1.61 5.08 -1.29 -3.36 114.58 117.72 1ioe h GLU 26 Ca 0.00 -0.63 -0.58 0.00 -1.00 0.00 0.00 59.36 57.16 1ioe h GLU 26 Cb 0.00 0.16 -0.42 0.00 0.50 0.00 0.00 28.75 28.99 1ioe h GLU 26 CO 0.00 1.23 -0.71 0.00 -1.00 0.00 0.00 179.01 178.53 1ioe n PRO 28 N -0.02 0.19 0.00 0.00 -0.04 -1.26 -3.04 135.00 130.83 1ioe n PRO 28 Ca 0.30 0.49 0.12 0.00 -0.04 0.00 0.00 63.50 64.37 1ioe n PRO 28 Cb 0.43 -1.92 0.25 0.00 -0.04 0.00 0.00 33.50 32.22 1ioe n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1ioe n TRP 29 N -2.29 0.00 -1.82 0.54 2.14 -1.17 -1.56 117.44 113.28 1ioe n TRP 29 Ca 0.01 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.17 1ioe n TRP 29 Cb 0.18 -0.11 -0.01 0.00 -0.81 0.00 0.00 31.31 30.56 1ioe n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1ioe s GLN 30 N -2.61 4.13 0.16 -2.67 2.00 -1.17 -1.21 119.66 118.30 1ioe s GLN 30 Ca 0.20 2.54 0.07 0.00 -2.00 0.00 0.00 55.36 56.17 1ioe s GLN 30 Cb 0.19 -3.00 -0.04 0.00 0.80 0.00 0.00 33.01 30.95 1ioe s GLN 30 CO 0.58 -0.55 -0.15 0.00 -0.50 0.00 0.00 175.29 174.67 1ioe s ALA 31 N -0.60 1.77 -0.14 1.58 0.00 -0.89 -4.52 121.76 118.96 1ioe s ALA 31 Ca 0.57 -1.47 -0.04 0.00 0.00 0.00 0.00 51.96 51.02 1ioe s ALA 31 Cb -0.46 -0.09 0.05 0.00 0.00 0.00 0.00 23.12 22.61 1ioe s ALA 31 CO 0.55 0.10 0.08 -1.17 0.00 0.00 0.00 175.76 175.32 1ioe s LEU 32 N -2.83 0.34 0.17 0.00 2.96 -0.24 -0.64 118.68 118.44 1ioe s LEU 32 Ca 0.15 -0.44 -0.30 0.00 -0.22 0.00 0.00 54.13 53.32 1ioe s LEU 32 Cb -0.03 -0.24 -0.08 0.00 0.50 0.00 0.00 46.19 46.34 1ioe s LEU 32 CO 0.05 -0.32 1.13 -0.76 -1.32 0.00 0.00 176.35 175.13 1ioe s LEU 33 N 2.13 4.47 -0.01 -0.68 1.43 -0.68 -0.68 118.68 124.66 1ioe s LEU 33 Ca 0.03 2.13 0.05 0.00 -1.03 0.00 0.00 54.13 55.31 1ioe s LEU 33 Cb -0.15 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.45 1ioe s LEU 33 CO -0.07 -0.28 -0.17 0.27 0.23 0.00 0.00 176.35 176.33 1ioe s ILE 34 N -0.13 1.31 0.77 -0.59 -4.36 0.04 -2.55 121.20 115.69 1ioe s ILE 34 Ca 0.51 -0.75 -0.07 0.00 -0.26 0.00 0.00 60.65 60.08 1ioe s ILE 34 Cb -0.30 -1.10 0.11 0.00 1.25 0.00 0.00 42.46 42.42 1ioe s ILE 34 CO 0.35 0.34 1.08 0.54 0.24 0.00 0.00 174.94 177.48 1ioe s ASN 35 N -0.48 4.28 0.36 4.36 4.22 0.22 -0.37 114.94 127.54 1ioe s ASN 35 Ca 0.06 0.16 0.10 0.00 -2.14 0.00 0.00 52.86 51.04 1ioe s ASN 35 Cb -0.07 -0.60 0.84 0.00 1.28 0.00 0.00 41.25 42.71 1ioe s ASN 35 CO -0.00 -1.93 1.86 1.05 -2.04 0.00 0.00 177.10 176.03 1ioe h GLU 36 N -0.81 0.65 -0.01 3.55 9.09 -1.90 1.43 114.58 126.58 1ioe h GLU 36 Ca -0.42 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 58.95 1ioe h GLU 36 Cb 1.28 -0.15 0.00 0.00 -1.65 0.00 0.00 28.75 28.24 1ioe h GLU 36 CO 0.49 0.43 0.00 0.39 0.05 0.00 0.00 179.01 180.37 1ioe n GLU 37 N -4.57 0.36 -0.73 1.06 1.02 -1.26 -4.74 120.64 111.78 1ioe n GLU 37 Ca 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1ioe n GLU 37 Cb 0.51 -1.01 0.00 0.00 -0.02 0.00 0.00 31.44 30.92 1ioe n GLU 37 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ioe n ASN 38 N -0.48 -2.20 -4.79 1.62 3.02 0.49 -4.95 115.26 107.98 1ioe n ASN 38 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.19 1ioe n ASN 38 Cb 0.00 -2.60 -0.04 0.00 -0.61 0.00 0.00 39.78 36.53 1ioe n ASN 38 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ioe s GLU 39 N -1.24 4.10 -0.24 3.52 2.02 -1.23 -4.65 118.70 120.98 1ioe s GLU 39 Ca 0.00 1.48 -0.17 0.00 0.02 0.00 0.00 54.97 56.30 1ioe s GLU 39 Cb 0.00 -2.46 -0.03 0.00 0.10 0.00 0.00 34.13 31.74 1ioe s GLU 39 CO 0.00 -0.19 0.46 0.20 0.02 0.00 0.00 175.26 175.75 1ioe s GLY 40 N -1.64 1.93 -0.00 -1.39 0.00 -1.26 -0.61 107.32 104.35 1ioe s GLY 40 Ca 0.59 -0.60 0.01 0.00 0.00 0.00 0.00 44.72 44.72 1ioe s GLY 40 CO 0.26 1.08 0.01 1.97 0.00 0.00 0.00 173.10 176.42 1ioe n PHE 41 N 5.18 0.00 -4.12 1.90 1.16 -1.06 -5.01 117.46 115.51 1ioe n PHE 41 Ca -0.06 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.39 1ioe n PHE 41 Cb 0.50 -0.02 -0.07 0.00 -1.61 0.00 0.00 39.48 38.29 1ioe n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1ioe n GLY 43 N -0.43 3.31 3.79 0.00 0.00 0.53 -1.68 105.19 110.71 1ioe n GLY 43 Ca 0.01 -2.31 -0.09 0.00 0.00 0.00 0.00 46.02 43.63 1ioe n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ioe s GLY 44 N -3.47 0.36 -0.04 -0.02 0.00 0.18 -3.84 107.32 100.49 1ioe s GLY 44 Ca 0.11 -0.72 -0.00 0.00 0.00 0.00 0.00 44.72 44.10 1ioe s GLY 44 CO 0.07 -0.32 -0.01 -1.59 0.00 0.00 0.00 173.10 171.25 1ioe s THR 45 N -2.71 0.29 -0.44 0.90 2.01 -0.92 -2.10 115.64 112.67 1ioe s THR 45 Ca 0.16 0.07 -0.29 0.00 0.31 0.00 0.00 61.69 61.94 1ioe s THR 45 Cb -0.05 -0.40 0.03 0.00 0.01 0.00 0.00 72.50 72.09 1ioe s THR 45 CO 0.11 0.19 1.11 -0.63 -0.69 0.00 0.00 174.62 174.72 1ioe s ILE 46 N 1.32 4.29 -0.40 1.82 1.01 -0.35 -0.74 121.20 128.14 1ioe s ILE 46 Ca -0.05 1.32 0.23 0.00 0.00 0.00 0.00 60.65 62.15 1ioe s ILE 46 Cb -0.13 -4.55 -0.06 0.00 0.01 0.00 0.00 42.46 37.72 1ioe s ILE 46 CO -0.02 -0.88 1.03 0.18 0.00 0.00 0.00 174.94 175.24 1ioe n LEU 47 N 7.59 0.66 0.00 2.97 4.77 -0.75 -1.12 117.00 131.11 1ioe n LEU 47 Ca 0.12 0.17 0.01 0.00 -0.03 0.00 0.00 56.01 56.27 1ioe n LEU 47 Cb 0.49 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.50 1ioe n LEU 47 CO 0.68 -0.08 0.48 -1.54 -1.33 0.00 0.00 177.39 175.61 1ioe n SER 48 N -2.32 -0.63 0.10 -1.43 3.41 -1.20 -4.74 113.62 106.81 1ioe n SER 48 Ca 0.01 -1.20 0.11 0.00 -0.26 0.00 0.00 58.87 57.52 1ioe n SER 48 Cb 0.50 0.99 0.45 0.00 -0.26 0.00 0.00 64.21 65.88 1ioe n SER 48 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1ioe n GLU 49 N -0.41 0.15 0.00 4.33 0.28 -1.26 -3.72 120.64 120.01 1ioe n GLU 49 Ca 0.01 0.38 0.00 0.00 -0.16 0.00 0.00 57.16 57.39 1ioe n GLU 49 Cb 0.27 -1.78 0.00 0.00 1.43 0.00 0.00 31.44 31.36 1ioe n GLU 49 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1ioe n PHE 50 N -2.05 0.00 -5.12 -1.84 3.72 -1.26 0.14 117.46 111.05 1ioe n PHE 50 Ca 0.02 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.14 1ioe n PHE 50 Cb 0.22 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.60 1ioe n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1ioe s TYR 51 N -1.07 2.08 0.03 1.38 2.02 -1.24 0.11 117.35 120.65 1ioe s TYR 51 Ca 0.00 -0.48 0.09 0.00 -0.37 0.00 0.00 57.07 56.31 1ioe s TYR 51 Cb 0.00 -1.35 -0.03 0.00 -0.40 0.00 0.00 41.96 40.18 1ioe s TYR 51 CO 0.00 -0.09 -0.26 0.42 -1.57 0.00 0.00 175.55 174.04 1ioe s ILE 52 N -0.37 2.11 -0.32 2.71 -1.09 0.40 -1.82 121.20 122.82 1ioe s ILE 52 Ca 0.04 -1.31 -0.07 0.00 -2.23 0.00 0.00 60.65 57.08 1ioe s ILE 52 Cb -0.10 -1.79 0.03 0.00 -1.58 0.00 0.00 42.46 39.01 1ioe s ILE 52 CO 0.01 0.43 0.10 -0.22 -1.23 0.00 0.00 174.94 174.02 1ioe s LEU 53 N -1.06 4.16 0.00 2.97 2.96 0.08 0.81 118.68 128.60 1ioe s LEU 53 Ca 0.11 -0.96 0.01 0.00 -0.22 0.00 0.00 54.13 53.08 1ioe s LEU 53 Cb -0.10 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 1ioe s LEU 53 CO 0.01 -0.28 0.05 1.07 -1.32 0.00 0.00 176.35 175.89 1ioe n THR 54 N 4.85 0.00 -2.45 3.68 5.66 0.75 -2.16 114.28 124.61 1ioe n THR 54 Ca -0.13 -1.50 -0.27 0.00 -3.05 0.00 0.00 64.05 59.09 1ioe n THR 54 Cb 0.46 0.43 0.01 0.00 -1.55 0.00 0.00 70.33 69.69 1ioe n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ioe s ALA 55 N -2.63 3.32 0.06 1.79 0.00 -1.26 -0.62 121.76 122.42 1ioe s ALA 55 Ca 0.07 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.51 1ioe s ALA 55 Cb 0.00 -2.65 -0.25 0.00 0.00 0.00 0.00 23.12 20.22 1ioe s ALA 55 CO 0.05 -0.58 1.06 0.00 0.00 0.00 0.00 175.76 176.29 1ioe h ALA 56 N -0.01 0.31 0.00 0.00 0.00 -1.78 -3.24 119.26 114.54 1ioe h ALA 56 Ca -0.46 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.43 1ioe h ALA 56 Cb 1.22 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1ioe h ALA 56 CO 0.61 1.19 0.00 1.12 0.00 0.00 0.00 179.25 182.17 1ioe h HIS 57 N 0.04 0.00 0.00 0.00 2.07 -1.94 -2.36 115.15 112.96 1ioe h HIS 57 Ca -0.14 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.38 1ioe h HIS 57 Cb 1.92 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.90 1ioe h HIS 57 CO 0.03 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.89 1ioe n LEU 59 N -1.46 7.35 0.04 0.00 4.77 -0.89 -4.18 117.00 122.63 1ioe n LEU 59 Ca 0.04 -4.04 0.00 0.00 -0.03 0.00 0.00 56.01 51.99 1ioe n LEU 59 Cb 0.17 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 1ioe n LEU 59 CO 0.14 1.31 -0.15 -1.22 -1.33 0.00 0.00 177.39 176.14 1ioe n TYR 60 N -1.01 -0.53 -0.41 -1.77 0.53 -1.05 -4.93 117.16 108.00 1ioe n TYR 60 Ca 0.62 0.09 -0.25 0.00 -1.02 0.00 0.00 57.90 57.34 1ioe n TYR 60 Cb 1.04 0.28 -0.05 0.00 -1.03 0.00 0.00 39.34 39.57 1ioe n TYR 60 CO 0.00 0.00 0.00 1.04 -1.02 0.00 0.00 176.86 176.88 1ioe n GLN 61 N -3.04 0.42 0.00 -0.72 3.00 -1.25 -4.67 117.38 111.12 1ioe n GLN 61 Ca 0.00 -0.96 0.00 0.00 -0.01 0.00 0.00 57.00 56.03 1ioe n GLN 61 Cb 0.15 -2.35 0.00 0.00 0.00 0.00 0.00 30.24 28.04 1ioe n GLN 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ioe n ALA 61 N 6.73 0.00 -0.01 -1.58 0.00 -1.26 -5.03 120.51 119.36 1ioe n ALA 61 Ca 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.71 1ioe n ALA 61 Cb 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.67 1ioe n ALA 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ioe n LYS 62 N -0.99 0.12 -4.81 0.00 4.81 -1.26 -5.04 118.16 110.99 1ioe n LYS 62 Ca 0.00 0.05 -0.26 0.00 -0.87 0.00 0.00 58.31 57.23 1ioe n LYS 62 Cb 0.00 -0.57 -0.15 0.00 0.02 0.00 0.00 35.03 34.33 1ioe n LYS 62 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1ioe s ARG 63 N -1.68 1.47 0.02 1.64 3.52 -1.26 -5.13 118.95 117.52 1ioe s ARG 63 Ca -0.07 -0.77 -0.17 0.00 -0.13 0.00 0.00 55.73 54.60 1ioe s ARG 63 Cb 0.01 -1.47 0.03 0.00 -1.56 0.00 0.00 34.95 31.96 1ioe s ARG 63 CO 0.10 0.39 0.36 -0.59 -0.81 0.00 0.00 175.30 174.76 1ioe s PHE 64 N -0.58 -0.22 0.45 5.12 -0.71 -1.26 -3.41 117.98 117.38 1ioe s PHE 64 Ca 0.07 0.22 0.07 0.00 -1.04 0.00 0.00 56.93 56.25 1ioe s PHE 64 Cb -0.08 0.16 -0.01 0.00 -1.21 0.00 0.00 43.02 41.87 1ioe s PHE 64 CO 0.00 -0.50 0.33 0.15 -1.34 0.00 0.00 175.22 173.86 1ioe s LYS 65 N -2.06 2.36 -0.10 1.99 -0.14 0.50 -4.56 119.74 117.73 1ioe s LYS 65 Ca -0.08 -1.77 0.03 0.00 -1.36 0.00 0.00 55.97 52.79 1ioe s LYS 65 Cb -0.02 -2.18 0.00 0.00 -1.68 0.00 0.00 37.83 33.96 1ioe s LYS 65 CO 0.00 -0.29 -0.22 0.54 -0.76 0.00 0.00 175.35 174.62 1ioe s VAL 66 N -2.60 1.89 0.03 3.17 0.11 -0.62 -0.78 120.40 121.61 1ioe s VAL 66 Ca 0.42 -0.91 0.06 0.00 -2.93 0.00 0.00 61.98 58.61 1ioe s VAL 66 Cb -0.01 -1.65 -0.03 0.00 -1.53 0.00 0.00 36.38 33.16 1ioe s VAL 66 CO 0.24 0.52 -0.14 -0.60 -3.33 0.00 0.00 175.10 171.80 1ioe s ARG 67 N 0.48 2.26 0.06 1.54 3.52 0.14 -1.06 118.95 125.89 1ioe s ARG 67 Ca -0.16 -0.88 0.01 0.00 -0.13 0.00 0.00 55.73 54.57 1ioe s ARG 67 Cb -0.17 -2.31 -0.03 0.00 -1.56 0.00 0.00 34.95 30.88 1ioe s ARG 67 CO 0.06 0.56 -0.06 0.14 -0.81 0.00 0.00 175.30 175.20 1ioe s VAL 68 N -0.96 0.45 0.00 7.11 -7.23 -0.89 -1.08 120.40 117.81 1ioe s VAL 68 Ca 0.16 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 58.86 1ioe s VAL 68 Cb -0.11 -1.07 0.00 0.00 0.56 0.00 0.00 36.38 35.77 1ioe s VAL 68 CO 0.06 -0.68 0.00 0.61 -0.31 0.00 0.00 175.10 174.79 1ioe n GLY 69 N 0.75 1.99 3.75 2.32 0.00 -1.22 -2.21 105.19 110.56 1ioe n GLY 69 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1ioe n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ioe s ASP 70 N -3.10 7.09 0.00 1.61 -1.08 -1.26 -4.47 116.67 115.45 1ioe s ASP 70 Ca 0.00 2.33 0.00 0.00 -0.52 0.00 0.00 52.55 54.36 1ioe s ASP 70 Cb 0.00 -2.62 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 1ioe s ASP 70 CO 0.00 -0.33 0.00 0.54 0.52 0.00 0.00 175.17 175.90 1ioe n ARG 71 N 1.80 3.04 -3.48 4.34 1.74 -1.26 -4.94 116.66 117.90 1ioe n ARG 71 Ca 0.02 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.89 1ioe n ARG 71 Cb 0.44 -0.37 -0.13 0.00 -1.02 0.00 0.00 32.46 31.39 1ioe n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1ioe s ASN 72 N -0.41 2.01 0.00 0.55 3.84 -1.26 -1.74 114.94 117.94 1ioe s ASN 72 Ca 0.00 -0.65 -0.01 0.00 0.21 0.00 0.00 52.86 52.41 1ioe s ASN 72 Cb 0.00 0.22 -0.05 0.00 -0.55 0.00 0.00 41.25 40.87 1ioe s ASN 72 CO 0.00 -0.37 1.22 0.35 -2.79 0.00 0.00 177.10 175.51 1ioe n THR 73 N 5.30 0.96 0.00 -5.21 -2.24 0.87 -2.83 114.28 111.12 1ioe n THR 73 Ca -0.05 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1ioe n THR 73 Cb 0.47 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.27 1ioe n THR 73 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1ioe n GLU 74 N 2.28 0.00 -3.28 -0.78 -0.00 -1.26 -5.00 120.64 112.60 1ioe n GLU 74 Ca 0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 57.16 57.19 1ioe n GLU 74 Cb 0.27 0.00 -0.05 0.00 -0.00 0.00 0.00 31.44 31.66 1ioe n GLU 74 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1ioe s GLN 75 N 0.00 0.43 -0.81 3.44 -0.21 -1.13 -5.09 119.66 116.30 1ioe s GLN 75 Ca 0.00 0.62 -0.22 0.00 0.02 0.00 0.00 55.36 55.78 1ioe s GLN 75 Cb 0.00 -0.13 -0.18 0.00 1.00 0.00 0.00 33.01 33.70 1ioe s GLN 75 CO 0.00 -0.71 2.38 -1.91 -2.12 0.00 0.00 175.29 172.93 1ioe n GLU 76 N 5.38 0.47 -0.01 2.91 4.07 -1.26 -4.70 120.64 127.50 1ioe n GLU 76 Ca -0.02 -0.47 0.06 0.00 -0.06 0.00 0.00 57.16 56.67 1ioe n GLU 76 Cb 0.50 -2.91 0.34 0.00 -0.06 0.00 0.00 31.44 29.32 1ioe n GLU 76 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1ioe n GLU 77 N 8.07 1.08 0.00 5.31 1.02 -1.26 -4.87 120.64 129.99 1ioe n GLU 77 Ca 0.51 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 1ioe n GLU 77 Cb 0.36 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 1ioe n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ioe n GLY 78 N 0.73 0.95 1.49 0.62 0.00 -1.26 -4.67 105.19 103.06 1ioe n GLY 78 Ca 0.09 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.20 1ioe n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ioe n GLY 79 N -1.00 2.49 3.95 -0.02 0.00 -1.26 -4.96 105.19 104.39 1ioe n GLY 79 Ca 0.00 -0.79 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 1ioe n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ioe s GLU 80 N -1.79 0.93 -0.30 1.61 8.01 -1.26 -4.47 118.70 121.42 1ioe s GLU 80 Ca 0.47 -0.56 -0.18 0.00 0.01 0.00 0.00 54.97 54.71 1ioe s GLU 80 Cb 0.30 -1.97 0.21 0.00 -4.31 0.00 0.00 34.13 28.37 1ioe s GLU 80 CO 0.23 -2.16 1.33 0.00 0.01 0.00 0.00 175.26 174.67 1ioe s ALA 81 N -3.70 -2.61 -0.10 5.21 0.00 -0.94 -4.97 121.76 114.64 1ioe s ALA 81 Ca 0.72 1.90 -0.05 0.00 0.00 0.00 0.00 51.96 54.52 1ioe s ALA 81 Cb -0.04 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 1ioe s ALA 81 CO 0.51 -0.26 0.09 0.08 0.00 0.00 0.00 175.76 176.18 1ioe s VAL 82 N 0.80 5.07 -0.01 0.00 1.01 -1.26 -2.09 120.40 123.92 1ioe s VAL 82 Ca -0.05 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.02 1ioe s VAL 82 Cb -0.03 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 1ioe s VAL 82 CO -0.11 0.61 -0.17 -1.00 0.00 0.00 0.00 175.10 174.43 1ioe s HIS 83 N -0.98 1.48 0.69 5.22 3.76 -0.22 -5.00 115.29 120.23 1ioe s HIS 83 Ca 0.15 -0.29 -0.06 0.00 -0.15 0.00 0.00 55.06 54.72 1ioe s HIS 83 Cb -0.12 -0.95 0.06 0.00 1.11 0.00 0.00 32.58 32.68 1ioe s HIS 83 CO 0.04 -0.02 0.99 -1.21 -0.85 0.00 0.00 174.74 173.68 1ioe s GLU 84 N -0.45 2.23 -0.37 1.40 2.02 -1.26 -1.58 118.70 120.69 1ioe s GLU 84 Ca 0.06 -0.33 -0.10 0.00 0.02 0.00 0.00 54.97 54.62 1ioe s GLU 84 Cb -0.06 -2.21 0.03 0.00 0.10 0.00 0.00 34.13 31.99 1ioe s GLU 84 CO -0.00 -1.18 0.19 0.08 0.02 0.00 0.00 175.26 174.37 1ioe s VAL 85 N -3.19 4.45 -0.02 2.63 1.01 -1.26 -2.10 120.40 121.93 1ioe s VAL 85 Ca 0.60 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 61.43 1ioe s VAL 85 Cb -0.11 -3.50 -0.18 0.00 0.00 0.00 0.00 36.38 32.60 1ioe s VAL 85 CO 0.44 -0.24 1.13 -0.08 0.00 0.00 0.00 175.10 176.35 1ioe h GLU 86 N 8.41 -0.20 -3.87 2.72 4.81 -1.50 -3.46 114.58 121.48 1ioe h GLU 86 Ca -0.25 0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 58.84 1ioe h GLU 86 Cb 1.10 0.05 -0.20 0.00 0.63 0.00 0.00 28.75 30.33 1ioe h GLU 86 CO 0.66 0.21 -0.63 0.14 -0.73 0.00 0.00 179.01 178.67 1ioe s VAL 87 N -4.12 0.12 -0.15 0.32 -7.23 -1.17 -5.03 120.40 103.14 1ioe s VAL 87 Ca -0.14 -0.97 0.01 0.00 -1.81 0.00 0.00 61.98 59.07 1ioe s VAL 87 Cb 0.01 -0.51 0.02 0.00 0.56 0.00 0.00 36.38 36.46 1ioe s VAL 87 CO 0.57 -0.53 -0.18 0.54 -0.31 0.00 0.00 175.10 175.18 1ioe s VAL 88 N -1.84 1.83 -0.67 1.32 0.11 -1.26 -2.32 120.40 117.58 1ioe s VAL 88 Ca -0.12 -0.82 -0.09 0.00 -2.93 0.00 0.00 61.98 58.02 1ioe s VAL 88 Cb -0.07 -1.66 0.17 0.00 -1.53 0.00 0.00 36.38 33.30 1ioe s VAL 88 CO -0.02 0.50 0.55 -0.63 -3.33 0.00 0.00 175.10 172.17 1ioe s ILE 89 N 1.12 4.58 0.33 7.04 1.01 -0.76 -5.01 121.20 129.51 1ioe s ILE 89 Ca -0.01 -2.49 -0.10 0.00 0.00 0.00 0.00 60.65 58.05 1ioe s ILE 89 Cb -0.14 -3.92 -0.07 0.00 0.01 0.00 0.00 42.46 38.34 1ioe s ILE 89 CO -0.07 -0.91 0.67 -0.75 0.00 0.00 0.00 174.94 173.88 1ioe s LYS 90 N 0.37 3.81 0.09 2.79 2.20 -1.26 -1.09 119.74 126.65 1ioe s LYS 90 Ca 0.14 0.39 -0.30 0.00 -0.36 0.00 0.00 55.97 55.85 1ioe s LYS 90 Cb -0.18 -2.50 -0.05 0.00 -1.51 0.00 0.00 37.83 33.59 1ioe s LYS 90 CO -0.05 0.13 0.99 -1.58 -0.36 0.00 0.00 175.35 174.48 1ioe s HIS 91 N -2.10 3.74 0.16 4.03 5.65 -1.13 -4.97 115.29 120.66 1ioe s HIS 91 Ca 0.50 1.74 -0.12 0.00 0.25 0.00 0.00 55.06 57.43 1ioe s HIS 91 Cb -0.11 -3.10 0.03 0.00 -1.18 0.00 0.00 32.58 28.23 1ioe s HIS 91 CO 0.25 0.03 1.63 -0.91 -0.65 0.00 0.00 174.74 175.10 1ioe h ASN 92 N 5.90 0.86 0.04 9.88 4.21 -1.92 -2.96 115.58 131.59 1ioe h ASN 92 Ca -0.42 -0.27 0.00 0.00 1.21 0.00 0.00 56.30 56.81 1ioe h ASN 92 Cb 1.21 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 38.18 1ioe h ASN 92 CO 0.73 0.92 0.00 0.54 -1.29 0.00 0.00 177.43 178.33 1ioe n ARG 93 N -4.35 0.77 -2.52 0.81 1.74 -1.26 -4.87 116.66 106.97 1ioe n ARG 93 Ca 0.02 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.75 1ioe n ARG 93 Cb 0.28 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.19 1ioe n ARG 93 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1ioe s PHE 94 N -2.05 3.04 -0.03 -1.55 5.36 -1.12 -4.79 117.98 116.85 1ioe s PHE 94 Ca 0.37 1.59 -0.29 0.00 -0.96 0.00 0.00 56.93 57.64 1ioe s PHE 94 Cb 0.18 -3.10 0.08 0.00 -0.34 0.00 0.00 43.02 39.84 1ioe s PHE 94 CO 0.30 -0.84 0.75 0.95 -1.46 0.00 0.00 175.22 174.92 1ioe s THR 95 N -1.88 0.00 -0.11 0.12 -4.23 -1.25 -5.05 115.64 103.25 1ioe s THR 95 Ca 0.65 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 61.36 1ioe s THR 95 Cb -0.18 -1.00 0.18 0.00 1.34 0.00 0.00 72.50 72.83 1ioe s THR 95 CO 0.23 0.00 1.61 0.07 -0.54 0.00 0.00 174.62 175.98 1ioe h LYS 96 N 2.63 0.00 0.00 3.99 -0.00 -1.96 0.11 116.57 121.35 1ioe h LYS 96 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.39 1ioe h LYS 96 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.42 1ioe h LYS 96 CO 0.36 0.31 0.00 1.05 -0.00 0.00 0.00 179.45 181.17 1ioe h GLU 97 N 0.00 0.00 0.00 0.07 9.09 -1.99 -3.29 114.58 118.45 1ioe h GLU 97 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1ioe h GLU 97 Cb 1.09 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.19 1ioe h GLU 97 CO 0.04 0.00 -0.26 0.25 0.05 0.00 0.00 179.01 179.09 1ioe n THR 98 N -2.90 0.00 -0.99 -1.06 -2.24 -1.22 -5.01 114.28 100.87 1ioe n THR 98 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1ioe n THR 98 Cb 0.15 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1ioe n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1ioe n TYR 99 N -0.75 0.00 -2.24 4.78 0.53 0.02 -4.98 117.16 114.52 1ioe n TYR 99 Ca 0.00 0.00 -0.37 0.00 -1.02 0.00 0.00 57.90 56.51 1ioe n TYR 99 Cb 0.09 -0.58 -0.01 0.00 -1.03 0.00 0.00 39.34 37.81 1ioe n TYR 99 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 1ioe s ASP 100 N -2.04 6.09 -0.95 7.72 2.15 -1.26 -3.20 116.67 125.18 1ioe s ASP 100 Ca 0.00 2.31 -0.06 0.00 0.43 0.00 0.00 52.55 55.24 1ioe s ASP 100 Cb 0.00 -2.60 0.01 0.00 -0.30 0.00 0.00 42.92 40.02 1ioe s ASP 100 CO 0.00 -0.97 0.75 0.49 -0.17 0.00 0.00 175.17 175.27 1ioe n PHE 101 N -0.58 -1.87 -2.46 -5.34 3.01 -1.26 -3.95 117.46 105.00 1ioe n PHE 101 Ca 0.08 0.64 -0.39 0.00 1.01 0.00 0.00 57.45 58.79 1ioe n PHE 101 Cb 0.48 -3.70 -0.03 0.00 -0.01 0.00 0.00 39.48 36.22 1ioe n PHE 101 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1ioe s ASP 102 N -3.15 6.15 -0.27 4.37 2.15 -1.19 -4.51 116.67 120.21 1ioe s ASP 102 Ca 0.37 -0.93 -0.25 0.00 0.43 0.00 0.00 52.55 52.17 1ioe s ASP 102 Cb -0.16 -2.56 0.11 0.00 -0.30 0.00 0.00 42.92 40.00 1ioe s ASP 102 CO 0.46 -1.82 0.95 -0.51 -0.17 0.00 0.00 175.17 174.08 1ioe s ILE 103 N 6.10 0.00 -0.06 4.11 2.07 -1.26 -4.45 121.20 127.71 1ioe s ILE 103 Ca 0.47 0.00 -0.23 0.00 -1.41 0.00 0.00 60.65 59.48 1ioe s ILE 103 Cb -0.04 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.60 1ioe s ILE 103 CO 0.01 0.00 0.51 0.00 -1.91 0.00 0.00 174.94 173.55 1ioe s ALA 104 N 0.21 -1.32 -0.12 1.50 0.00 0.21 -2.85 121.76 119.38 1ioe s ALA 104 Ca 0.02 0.95 0.02 0.00 0.00 0.00 0.00 51.96 52.95 1ioe s ALA 104 Cb -0.05 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 22.99 1ioe s ALA 104 CO -0.04 -0.31 -0.16 0.08 0.00 0.00 0.00 175.76 175.33 1ioe s VAL 105 N -1.04 1.60 -0.22 0.00 1.01 -0.25 -0.17 120.40 121.33 1ioe s VAL 105 Ca -0.10 -0.69 -0.14 0.00 0.00 0.00 0.00 61.98 61.04 1ioe s VAL 105 Cb -0.03 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1ioe s VAL 105 CO 0.06 0.46 0.33 -0.76 0.00 0.00 0.00 175.10 175.19 1ioe s LEU 106 N 1.08 4.13 -0.29 3.92 1.43 0.24 -1.82 118.68 127.37 1ioe s LEU 106 Ca -0.04 0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 53.32 1ioe s LEU 106 Cb -0.14 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 1ioe s LEU 106 CO -0.04 -0.05 0.20 -0.60 0.23 0.00 0.00 176.35 176.09 1ioe s ARG 107 N 1.32 3.88 0.57 1.70 3.52 -0.98 0.15 118.95 129.11 1ioe s ARG 107 Ca 0.15 -0.37 -0.18 0.00 -0.13 0.00 0.00 55.73 55.20 1ioe s ARG 107 Cb -0.14 -3.68 -0.04 0.00 -1.56 0.00 0.00 34.95 29.52 1ioe s ARG 107 CO 0.07 -0.22 1.10 -0.51 -0.81 0.00 0.00 175.30 174.93 1ioe s LEU 108 N 1.75 3.63 0.38 -0.88 1.43 0.29 -1.51 118.68 123.78 1ioe s LEU 108 Ca 0.07 2.03 0.20 0.00 -1.03 0.00 0.00 54.13 55.40 1ioe s LEU 108 Cb -0.16 -4.56 0.33 0.00 0.03 0.00 0.00 46.19 41.83 1ioe s LEU 108 CO 0.11 -1.25 1.58 0.50 0.23 0.00 0.00 176.35 177.52 1ioe h LYS 109 N 0.83 0.00 -2.94 1.70 3.11 -1.75 -3.41 116.57 114.10 1ioe h LYS 109 Ca -0.49 0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.20 1ioe h LYS 109 Cb 1.24 0.00 -0.27 0.00 -1.00 0.00 0.00 32.23 32.20 1ioe h LYS 109 CO 0.57 0.23 -0.39 0.95 -2.81 0.00 0.00 179.45 177.99 1ioe s THR 110 N -3.17 -0.02 0.05 1.00 -4.23 -1.26 -5.00 115.64 103.01 1ioe s THR 110 Ca 0.05 0.07 -0.38 0.00 -1.18 0.00 0.00 61.69 60.25 1ioe s THR 110 Cb 0.07 -0.44 -0.19 0.00 1.34 0.00 0.00 72.50 73.27 1ioe s THR 110 CO 0.69 0.03 1.06 -2.65 -0.54 0.00 0.00 174.62 173.21 1ioe n PRO 111 N 3.62 0.26 -2.38 3.99 -0.02 -1.26 -4.92 135.00 134.29 1ioe n PRO 111 Ca -0.19 0.09 -0.42 0.00 -2.02 0.00 0.00 63.50 60.96 1ioe n PRO 111 Cb 0.56 -1.56 -0.03 0.00 -0.02 0.00 0.00 33.50 32.45 1ioe n PRO 111 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ioe s ILE 112 N -0.04 4.00 -0.53 4.25 1.01 0.38 -4.97 121.20 125.30 1ioe s ILE 112 Ca 0.86 1.40 -0.19 0.00 0.00 0.00 0.00 60.65 62.72 1ioe s ILE 112 Cb -1.16 -3.90 0.07 0.00 0.01 0.00 0.00 42.46 37.48 1ioe s ILE 112 CO 0.55 0.06 0.64 0.42 0.00 0.00 0.00 174.94 176.61 1ioe s THR 113 N 1.63 4.86 0.24 2.92 -4.23 -1.26 -4.73 115.64 115.07 1ioe s THR 113 Ca 0.59 -0.60 -0.31 0.00 -1.18 0.00 0.00 61.69 60.20 1ioe s THR 113 Cb -0.29 -4.34 -0.11 0.00 1.34 0.00 0.00 72.50 69.10 1ioe s THR 113 CO 0.27 -0.88 1.58 -0.36 -0.54 0.00 0.00 174.62 174.69 1ioe s PHE 114 N 2.65 2.90 0.00 3.99 0.08 -1.26 -4.95 117.98 121.38 1ioe s PHE 114 Ca 0.14 0.72 0.00 0.00 0.12 0.00 0.00 56.93 57.91 1ioe s PHE 114 Cb -0.20 -4.00 0.00 0.00 -0.57 0.00 0.00 43.02 38.24 1ioe s PHE 114 CO 0.11 -3.51 0.00 2.89 -0.10 0.00 0.00 175.22 174.61 1ioe n ARG 115 N 2.90 0.00 -1.74 0.44 0.00 -0.39 -5.01 116.66 112.86 1ioe n ARG 115 Ca 0.10 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.54 1ioe n ARG 115 Cb 0.38 0.00 -0.02 0.00 -0.00 0.00 0.00 32.46 32.82 1ioe n ARG 115 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 1ioe n MET 116 N 0.00 2.70 -1.32 2.89 0.00 -1.26 -0.87 117.12 119.26 1ioe n MET 116 Ca 0.00 0.96 -0.11 0.00 -0.00 0.00 0.00 57.70 58.55 1ioe n MET 116 Cb 0.00 -2.75 -0.05 0.00 0.00 0.00 0.00 33.22 30.42 1ioe n MET 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1ioe n ASN 117 N 2.36 -4.41 -3.18 6.12 4.13 -1.26 -4.93 115.26 114.10 1ioe n ASN 117 Ca 0.09 0.27 -0.09 0.00 1.68 0.00 0.00 54.58 56.54 1ioe n ASN 117 Cb 0.36 -2.88 -0.04 0.00 -1.54 0.00 0.00 39.78 35.69 1ioe n ASN 117 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1ioe s VAL 118 N -2.38 -0.64 0.14 2.41 1.01 -0.05 -3.43 120.40 117.46 1ioe s VAL 118 Ca 0.00 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1ioe s VAL 118 Cb 0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1ioe s VAL 118 CO 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 175.10 174.77 1ioe s ALA 119 N 1.29 1.13 0.29 5.51 0.00 -0.60 -1.27 121.76 128.12 1ioe s ALA 119 Ca 0.21 -1.50 0.05 0.00 0.00 0.00 0.00 51.96 50.72 1ioe s ALA 119 Cb -0.06 0.51 -0.02 0.00 0.00 0.00 0.00 23.12 23.55 1ioe s ALA 119 CO -0.06 -0.34 0.43 -1.25 0.00 0.00 0.00 175.76 174.54 1ioe s PRO 120 N -3.92 3.34 0.23 0.00 0.04 -1.26 -3.05 135.00 130.37 1ioe s PRO 120 Ca 0.20 -0.76 0.03 0.00 0.04 0.00 0.00 61.00 60.51 1ioe s PRO 120 Cb 0.06 -2.83 -0.03 0.00 0.04 0.00 0.00 34.50 31.74 1ioe s PRO 120 CO 0.01 0.26 0.37 0.00 0.04 0.00 0.00 177.00 177.68 1ioe s ALA 121 N -2.10 3.89 0.08 8.56 0.00 -0.28 -4.89 121.76 127.02 1ioe s ALA 121 Ca 0.38 -1.07 -0.18 0.00 0.00 0.00 0.00 51.96 51.10 1ioe s ALA 121 Cb -0.09 -1.84 -0.07 0.00 0.00 0.00 0.00 23.12 21.12 1ioe s ALA 121 CO 0.31 0.31 0.55 0.00 0.00 0.00 0.00 175.76 176.93 1ioe s LEU 123 N -1.22 4.17 0.80 0.00 2.01 -1.26 -0.56 118.68 122.63 1ioe s LEU 123 Ca 0.30 0.34 -0.08 0.00 0.01 0.00 0.00 54.13 54.70 1ioe s LEU 123 Cb -0.19 -2.75 0.14 0.00 0.01 0.00 0.00 46.19 43.40 1ioe s LEU 123 CO 0.18 -0.46 1.11 -2.16 1.01 0.00 0.00 176.35 176.04 1ioe s PRO 124 N 2.54 1.44 0.46 1.29 0.04 -1.26 -5.00 135.00 134.51 1ioe s PRO 124 Ca 0.23 -0.66 -0.18 0.00 0.04 0.00 0.00 61.00 60.43 1ioe s PRO 124 Cb -0.15 -2.12 -0.09 0.00 0.04 0.00 0.00 34.50 32.17 1ioe s PRO 124 CO 0.12 -1.74 0.95 -2.00 0.04 0.00 0.00 177.00 174.37 1ioe s GLU 124 N -5.43 4.07 0.00 4.56 -6.30 -1.26 -4.94 118.70 109.40 1ioe s GLU 124 Ca 0.67 1.00 0.00 0.00 -2.50 0.00 0.00 54.97 54.14 1ioe s GLU 124 Cb -0.06 -2.18 0.00 0.00 0.00 0.00 0.00 34.13 31.89 1ioe s GLU 124 CO 0.47 -0.13 0.83 -2.13 0.02 0.00 0.00 175.26 174.32 1ioe n ARG 125 N -1.08 0.00 -0.34 4.30 0.63 -1.26 -1.33 116.66 117.58 1ioe n ARG 125 Ca 0.06 0.43 0.16 0.00 -0.92 0.00 0.00 57.85 57.58 1ioe n ARG 125 Cb 0.54 -1.33 0.36 0.00 0.45 0.00 0.00 32.46 32.48 1ioe n ARG 125 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1ioe h ASP 126 N 0.00 0.63 0.13 6.15 3.45 -1.95 -0.05 116.42 124.78 1ioe h ASP 126 Ca 0.00 0.13 -0.14 0.00 0.43 0.00 0.00 57.03 57.45 1ioe h ASP 126 Cb 0.00 0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 38.80 1ioe h ASP 126 CO 0.00 0.11 -0.52 -0.25 -1.57 0.00 0.00 179.24 177.01 1ioe h TRP 127 N 0.58 0.54 0.19 4.55 7.01 -1.98 -1.76 115.95 125.08 1ioe h TRP 127 Ca 0.62 -0.18 -0.01 0.00 2.11 0.00 0.00 58.89 61.42 1ioe h TRP 127 Cb 1.13 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 28.09 1ioe h TRP 127 CO -0.03 0.86 -0.09 0.00 -2.79 0.00 0.00 178.44 176.39 1ioe h ALA 128 N 1.10 -0.26 -0.85 2.65 0.00 0.25 -0.45 119.26 121.71 1ioe h ALA 128 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ioe h ALA 128 Cb 1.03 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1ioe h ALA 128 CO 0.09 -0.48 0.54 0.93 0.00 0.00 0.00 179.25 180.34 1ioe h GLU 129 N -0.59 1.13 0.10 0.00 5.08 -1.22 0.12 114.58 119.20 1ioe h GLU 129 Ca -0.03 -0.08 -0.19 0.00 -1.00 0.00 0.00 59.36 58.07 1ioe h GLU 129 Cb 0.44 -0.25 0.02 0.00 0.50 0.00 0.00 28.75 29.46 1ioe h GLU 129 CO 0.04 0.76 -0.80 1.03 -1.00 0.00 0.00 179.01 179.05 1ioe h SER 130 N 1.16 0.52 0.00 1.42 0.87 -1.31 -3.39 113.55 112.82 1ioe h SER 130 Ca 0.31 -0.89 0.00 0.00 -1.23 0.00 0.00 61.79 59.98 1ioe h SER 130 Cb -0.10 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.69 1ioe h SER 130 CO -0.06 1.37 -1.16 0.41 -0.53 0.00 0.00 176.83 176.85 1ioe n THR 131 N -4.12 0.00 -0.04 2.23 -1.04 -0.18 -4.47 114.28 106.66 1ioe n THR 131 Ca -0.13 -0.23 -0.02 0.00 -2.04 0.00 0.00 64.05 61.63 1ioe n THR 131 Cb 0.80 0.47 -0.01 0.00 -1.82 0.00 0.00 70.33 69.77 1ioe n THR 131 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1ioe h LEU 131 N 0.00 0.00 0.00 -4.42 4.07 -0.84 -3.34 115.31 110.78 1ioe h LEU 131 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1ioe h LEU 131 Cb 0.36 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.10 1ioe h LEU 131 CO 0.00 0.41 0.00 0.23 -1.08 0.00 0.00 178.44 178.00 1ioe n MET 131 N -3.57 0.49 0.00 1.13 2.81 -0.69 -0.60 117.12 116.69 1ioe n MET 131 Ca -0.04 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 55.92 1ioe n MET 131 Cb 0.14 -1.32 0.01 0.00 -0.71 0.00 0.00 33.22 31.33 1ioe n MET 131 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1ioe n THR 132 N -0.82 0.00 -1.54 2.03 -2.24 -1.26 -4.93 114.28 105.51 1ioe n THR 132 Ca 0.08 -0.37 -0.32 0.00 -2.27 0.00 0.00 64.05 61.16 1ioe n THR 132 Cb 0.03 1.19 0.07 0.00 -2.10 0.00 0.00 70.33 69.52 1ioe n THR 132 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1ioe s GLN 133 N -1.68 2.58 0.01 -0.78 2.00 0.24 -4.98 119.66 117.03 1ioe s GLN 133 Ca 0.13 1.28 -0.05 0.00 -2.00 0.00 0.00 55.36 54.72 1ioe s GLN 133 Cb 0.12 -1.93 -0.03 0.00 0.80 0.00 0.00 33.01 31.97 1ioe s GLN 133 CO 0.34 -1.41 1.01 0.87 -0.50 0.00 0.00 175.29 175.60 1ioe h LYS 134 N -0.48 -0.17 -6.10 1.67 1.79 -1.92 -3.44 116.57 107.93 1ioe h LYS 134 Ca -0.45 0.01 -0.55 0.00 -2.18 0.00 0.00 60.65 57.48 1ioe h LYS 134 Cb 1.24 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.89 1ioe h LYS 134 CO 0.53 -0.11 -0.27 0.95 -1.08 0.00 0.00 179.45 179.46 1ioe s THR 135 N -3.26 1.88 0.31 -0.16 -4.23 -1.26 -1.10 115.64 107.81 1ioe s THR 135 Ca -0.03 -1.38 -0.01 0.00 -1.18 0.00 0.00 61.69 59.09 1ioe s THR 135 Cb 0.00 -2.26 -0.01 0.00 1.34 0.00 0.00 72.50 71.57 1ioe s THR 135 CO 0.08 0.00 0.37 -0.83 -0.54 0.00 0.00 174.62 173.70 1ioe s GLY 136 N -4.33 1.56 -0.18 3.99 0.00 -0.96 -4.74 107.32 102.67 1ioe s GLY 136 Ca 0.41 -1.60 0.01 0.00 0.00 0.00 0.00 44.72 43.54 1ioe s GLY 136 CO 0.25 -1.13 -0.14 -0.42 0.00 0.00 0.00 173.10 171.66 1ioe s ILE 137 N -3.44 1.74 -0.06 0.90 -1.09 0.21 -0.85 121.20 118.60 1ioe s ILE 137 Ca 0.33 -0.86 -0.01 0.00 -2.23 0.00 0.00 60.65 57.88 1ioe s ILE 137 Cb 0.01 -1.67 -0.03 0.00 -1.58 0.00 0.00 42.46 39.19 1ioe s ILE 137 CO 0.19 0.37 0.02 0.54 -1.23 0.00 0.00 174.94 174.83 1ioe s VAL 138 N 1.40 4.38 0.07 2.92 0.11 -0.19 -0.01 120.40 129.07 1ioe s VAL 138 Ca 0.03 -0.32 -0.05 0.00 -2.93 0.00 0.00 61.98 58.71 1ioe s VAL 138 Cb -0.14 -2.88 -0.02 0.00 -1.53 0.00 0.00 36.38 31.81 1ioe s VAL 138 CO -0.10 0.53 0.10 -0.94 -3.33 0.00 0.00 175.10 171.36 1ioe s SER 139 N -1.12 0.26 0.00 3.54 1.04 -1.04 0.37 113.70 116.76 1ioe s SER 139 Ca 0.16 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1ioe s SER 139 Cb -0.11 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1ioe s SER 139 CO 0.05 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.23 1ioe n GLY 140 N 0.12 -2.43 0.79 7.32 0.00 -0.15 -3.97 105.19 106.87 1ioe n GLY 140 Ca -0.15 -1.25 0.08 0.00 0.00 0.00 0.00 46.02 44.71 1ioe n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ioe n PHE 141 N -0.08 0.27 -0.43 1.61 3.72 -1.26 -1.94 117.46 119.35 1ioe n PHE 141 Ca 0.00 -0.20 -0.24 0.00 -0.05 0.00 0.00 57.45 56.97 1ioe n PHE 141 Cb 0.00 -0.01 0.21 0.00 -0.94 0.00 0.00 39.48 38.74 1ioe n PHE 141 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ioe n GLY 142 N 0.98 -2.94 3.37 1.37 0.00 -1.26 0.12 105.19 106.83 1ioe n GLY 142 Ca 0.13 -1.14 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 1ioe n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ioe n ARG 143 N -3.35 -0.63 -0.03 1.61 1.74 0.15 -2.68 116.66 113.47 1ioe n ARG 143 Ca 0.08 -0.15 0.06 0.00 -0.77 0.00 0.00 57.85 57.07 1ioe n ARG 143 Cb 0.46 -1.81 -0.17 0.00 -1.02 0.00 0.00 32.46 29.93 1ioe n ARG 143 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1ioe n THR 144 N -3.80 0.36 -3.85 0.55 -1.04 -1.25 -0.04 114.28 105.20 1ioe n THR 144 Ca 0.05 -0.59 -0.09 0.00 -2.04 0.00 0.00 64.05 61.38 1ioe n THR 144 Cb 0.56 -0.12 -0.07 0.00 -1.82 0.00 0.00 70.33 68.88 1ioe n THR 144 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 1ioe s HIS 145 N -3.26 0.16 0.23 -1.42 0.00 -1.26 -4.11 115.29 105.64 1ioe s HIS 145 Ca -0.08 -0.57 -0.15 0.00 -3.00 0.00 0.00 55.06 51.26 1ioe s HIS 145 Cb 0.12 -0.01 0.27 0.00 -4.00 0.00 0.00 32.58 28.96 1ioe s HIS 145 CO 0.89 -0.61 1.57 1.49 -1.00 0.00 0.00 174.74 177.08 1ioe h GLU 147 N 2.65 -0.03 -0.93 -0.38 4.81 -1.93 -1.23 114.58 117.53 1ioe h GLU 147 Ca -0.33 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.53 1ioe h GLU 147 Cb 1.21 0.01 -0.22 0.00 0.63 0.00 0.00 28.75 30.38 1ioe h GLU 147 CO 0.53 -0.02 0.47 1.63 -0.73 0.00 0.00 179.01 180.89 1ioe n LYS 148 N -5.50 2.56 0.00 1.92 5.02 -1.26 -4.91 118.16 115.98 1ioe n LYS 148 Ca 0.10 -2.69 0.00 0.00 -2.02 0.00 0.00 58.31 53.70 1ioe n LYS 148 Cb 0.41 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 33.35 1ioe n LYS 148 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ioe n GLY 149 N -0.67 1.36 3.24 0.72 0.00 -0.46 -5.09 105.19 104.27 1ioe n GLY 149 Ca 0.48 -1.74 -0.21 0.00 0.00 0.00 0.00 46.02 44.55 1ioe n GLY 149 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ioe s ARG 150 N 2.16 1.00 0.26 1.61 1.70 -1.26 -4.90 118.95 119.51 1ioe s ARG 150 Ca 0.00 -1.11 -0.26 0.00 -0.47 0.00 0.00 55.73 53.89 1ioe s ARG 150 Cb 0.00 -1.09 -0.17 0.00 -0.57 0.00 0.00 34.95 33.13 1ioe s ARG 150 CO 0.00 0.24 0.40 0.94 -1.08 0.00 0.00 175.30 175.80 1ioe n GLN 151 N 1.03 0.00 -2.25 3.89 -0.06 -1.26 -3.86 117.38 114.86 1ioe n GLN 151 Ca -0.19 0.00 -0.32 0.00 -2.00 0.00 0.00 57.00 54.49 1ioe n GLN 151 Cb 0.54 -1.00 -0.02 0.00 -4.06 0.00 0.00 30.24 25.71 1ioe n GLN 151 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1ioe s SER 152 N -1.00 6.48 -0.11 1.69 0.15 0.31 -4.86 113.70 116.36 1ioe s SER 152 Ca 0.62 1.48 -0.02 0.00 0.70 0.00 0.00 55.95 58.74 1ioe s SER 152 Cb -0.85 -2.48 -0.25 0.00 -1.71 0.00 0.00 66.02 60.73 1ioe s SER 152 CO 0.58 -0.67 0.40 0.35 1.20 0.00 0.00 173.24 175.10 1ioe n THR 153 N -1.97 1.73 -3.65 6.45 -2.24 -1.26 -4.84 114.28 108.51 1ioe n THR 153 Ca 0.06 -0.69 -0.23 0.00 -2.27 0.00 0.00 64.05 60.93 1ioe n THR 153 Cb 0.54 -1.56 -0.02 0.00 -2.10 0.00 0.00 70.33 67.20 1ioe n THR 153 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ioe s ARG 154 N -2.56 3.47 -0.10 -0.78 1.81 -1.26 -0.09 118.95 119.43 1ioe s ARG 154 Ca -0.19 -0.51 -0.22 0.00 -1.72 0.00 0.00 55.73 53.08 1ioe s ARG 154 Cb 0.07 -2.77 -0.03 0.00 -0.45 0.00 0.00 34.95 31.77 1ioe s ARG 154 CO 0.78 0.28 0.66 -1.17 -0.68 0.00 0.00 175.30 175.17 1ioe s LEU 155 N -4.11 4.28 0.18 2.53 2.96 -0.71 -4.76 118.68 119.05 1ioe s LEU 155 Ca 0.37 1.08 0.09 0.00 -0.22 0.00 0.00 54.13 55.45 1ioe s LEU 155 Cb -0.09 -3.00 -0.04 0.00 0.50 0.00 0.00 46.19 43.55 1ioe s LEU 155 CO 0.33 -0.14 -0.07 -0.54 -1.32 0.00 0.00 176.35 174.61 1ioe s LYS 156 N 1.03 2.16 -0.02 1.98 1.02 -0.82 -0.39 119.74 124.69 1ioe s LYS 156 Ca 0.34 -1.24 0.02 0.00 0.02 0.00 0.00 55.97 55.11 1ioe s LYS 156 Cb -0.17 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 34.94 1ioe s LYS 156 CO 0.15 0.44 -0.05 0.00 -0.92 0.00 0.00 175.35 174.97 1ioe s MET 157 N -2.90 0.56 -0.05 1.68 0.23 -1.19 -0.98 119.30 116.65 1ioe s MET 157 Ca 0.26 -0.17 0.03 0.00 -1.03 0.00 0.00 55.69 54.77 1ioe s MET 157 Cb -0.09 -0.56 0.01 0.00 -1.53 0.00 0.00 34.83 32.66 1ioe s MET 157 CO 0.16 0.07 -0.13 -1.17 -2.03 0.00 0.00 175.02 171.92 1ioe s LEU 158 N 0.17 1.73 -0.31 0.18 0.20 0.16 -1.87 118.68 118.94 1ioe s LEU 158 Ca -0.02 -0.28 -0.27 0.00 0.69 0.00 0.00 54.13 54.25 1ioe s LEU 158 Cb -0.06 -0.79 0.01 0.00 -0.43 0.00 0.00 46.19 44.92 1ioe s LEU 158 CO -0.00 0.07 0.97 -0.70 -0.29 0.00 0.00 176.35 176.40 1ioe s GLU 159 N 0.43 4.03 -0.28 1.98 2.12 -1.26 -1.02 118.70 124.69 1ioe s GLU 159 Ca -0.10 0.90 0.01 0.00 0.36 0.00 0.00 54.97 56.14 1ioe s GLU 159 Cb -0.13 -3.73 0.05 0.00 0.26 0.00 0.00 34.13 30.58 1ioe s GLU 159 CO 0.03 -0.82 -0.06 0.14 -0.54 0.00 0.00 175.26 174.00 1ioe s VAL 160 N 3.40 2.54 0.56 3.70 -7.23 -0.03 -4.92 120.40 118.42 1ioe s VAL 160 Ca 0.41 -1.50 -0.19 0.00 -1.81 0.00 0.00 61.98 58.88 1ioe s VAL 160 Cb -0.13 -2.47 -0.08 0.00 0.56 0.00 0.00 36.38 34.27 1ioe s VAL 160 CO 0.14 -0.05 0.77 -2.65 -0.31 0.00 0.00 175.10 173.00 1ioe n PRO 161 N 4.52 0.78 -2.65 4.82 -0.02 -1.25 -2.25 135.00 138.94 1ioe n PRO 161 Ca -0.14 0.30 -0.40 0.00 -2.02 0.00 0.00 63.50 61.24 1ioe n PRO 161 Cb 0.43 -1.92 -0.05 0.00 -0.02 0.00 0.00 33.50 31.93 1ioe n PRO 161 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1ioe s TYR 162 N -1.56 3.81 -0.12 6.00 2.02 -0.26 -1.00 117.35 126.23 1ioe s TYR 162 Ca 0.71 1.83 -0.03 0.00 -0.37 0.00 0.00 57.07 59.21 1ioe s TYR 162 Cb -0.46 -3.08 -0.03 0.00 -0.40 0.00 0.00 41.96 37.99 1ioe s TYR 162 CO 0.52 0.07 -0.01 0.08 -1.57 0.00 0.00 175.55 174.63 1ioe s VAL 163 N -1.22 4.14 -0.06 0.71 1.01 -1.21 -4.86 120.40 118.91 1ioe s VAL 163 Ca 0.43 -0.29 -0.38 0.00 0.00 0.00 0.00 61.98 61.75 1ioe s VAL 163 Cb -0.27 -2.78 -0.16 0.00 0.00 0.00 0.00 36.38 33.17 1ioe s VAL 163 CO 0.34 0.55 1.56 -0.67 0.00 0.00 0.00 175.10 176.88 1ioe n ASP 164 N 2.81 2.22 -0.35 3.32 2.03 -1.26 -4.69 116.55 120.63 1ioe n ASP 164 Ca -0.18 1.09 0.13 0.00 0.52 0.00 0.00 54.79 56.34 1ioe n ASP 164 Cb 0.53 -1.21 0.32 0.00 -0.72 0.00 0.00 41.12 40.04 1ioe n ASP 164 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1ioe h ARG 165 N 6.11 0.75 0.31 -0.67 2.43 -1.96 -2.10 114.38 119.24 1ioe h ARG 165 Ca -0.47 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 58.64 1ioe h ARG 165 Cb 1.32 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1ioe h ARG 165 CO 0.87 0.50 -0.15 -0.97 -1.51 0.00 0.00 179.97 178.71 1ioe h ASN 166 N 0.77 -0.35 -0.83 -3.80 -0.73 -2.02 -2.84 115.58 105.78 1ioe h ASN 166 Ca 0.56 0.01 0.20 0.00 1.87 0.00 0.00 56.30 58.94 1ioe h ASN 166 Cb 0.86 0.09 -0.16 0.00 0.27 0.00 0.00 38.32 39.39 1ioe h ASN 166 CO -0.35 -0.24 -0.10 -1.20 -0.37 0.00 0.00 177.43 175.17 1ioe n SER 167 N -3.20 -0.20 -0.16 1.15 7.64 -1.11 -0.43 113.62 117.31 1ioe n SER 167 Ca -0.05 1.42 -0.04 0.00 1.01 0.00 0.00 58.87 61.20 1ioe n SER 167 Cb 0.17 -0.47 -0.04 0.00 -1.01 0.00 0.00 64.21 62.86 1ioe n SER 167 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ioe h LYS 169 N 0.00 0.91 0.00 0.00 6.56 -0.58 -1.41 116.57 122.04 1ioe h LYS 169 Ca 0.06 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 1ioe h LYS 169 Cb 0.16 -0.20 0.00 0.00 -0.57 0.00 0.00 32.23 31.61 1ioe h LYS 169 CO -0.36 0.60 0.00 1.28 -2.06 0.00 0.00 179.45 178.91 1ioe n LEU 170 N -4.52 0.06 -0.64 2.94 4.77 -0.24 -3.25 117.00 116.11 1ioe n LEU 170 Ca 0.15 0.81 0.50 0.00 -0.03 0.00 0.00 56.01 57.44 1ioe n LEU 170 Cb 0.27 -0.47 0.80 0.00 -2.33 0.00 0.00 43.42 41.70 1ioe n LEU 170 CO 0.31 -0.47 1.45 0.77 -1.33 0.00 0.00 177.39 178.12 1ioe h SER 171 N 0.00 0.03 -4.37 -1.43 4.64 -0.48 -3.40 113.55 108.53 1ioe h SER 171 Ca 0.00 0.02 -0.46 0.00 -0.47 0.00 0.00 61.79 60.88 1ioe h SER 171 Cb 0.00 0.02 0.12 0.00 -0.31 0.00 0.00 62.40 62.23 1ioe h SER 171 CO 0.00 -0.03 0.38 -0.55 -0.87 0.00 0.00 176.83 175.76 1ioe s SER 172 N -4.08 3.86 -0.05 4.97 0.15 -0.54 -4.69 113.70 113.32 1ioe s SER 172 Ca -0.05 0.71 0.21 0.00 0.70 0.00 0.00 55.95 57.52 1ioe s SER 172 Cb 0.27 -1.11 0.41 0.00 -1.71 0.00 0.00 66.02 63.88 1ioe s SER 172 CO 0.88 -2.30 1.18 -1.54 1.20 0.00 0.00 173.24 172.65 1ioe n SER 173 N -3.56 1.15 -3.71 5.45 3.41 -1.26 -4.97 113.62 110.12 1ioe n SER 173 Ca 0.09 -2.47 -0.14 0.00 -0.26 0.00 0.00 58.87 56.09 1ioe n SER 173 Cb 0.60 -0.35 -0.08 0.00 -0.26 0.00 0.00 64.21 64.12 1ioe n SER 173 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1ioe s PHE 174 N -0.81 -0.29 -0.52 7.33 0.08 -1.26 -5.11 117.98 117.39 1ioe s PHE 174 Ca 0.34 0.51 -0.26 0.00 0.12 0.00 0.00 56.93 57.64 1ioe s PHE 174 Cb 0.37 0.16 -0.06 0.00 -0.57 0.00 0.00 43.02 42.92 1ioe s PHE 174 CO -0.14 -0.41 2.31 0.42 -0.10 0.00 0.00 175.22 177.30 1ioe s ILE 175 N -1.14 3.07 -0.93 0.64 1.01 -1.26 -4.91 121.20 117.69 1ioe s ILE 175 Ca -0.12 0.04 -0.24 0.00 0.00 0.00 0.00 60.65 60.33 1ioe s ILE 175 Cb -0.04 -3.19 0.01 0.00 0.01 0.00 0.00 42.46 39.26 1ioe s ILE 175 CO 0.05 -0.18 1.60 -0.63 0.00 0.00 0.00 174.94 175.78 1ioe s ILE 176 N 11.72 3.72 1.18 2.92 -1.09 -1.26 -4.98 121.20 133.41 1ioe s ILE 176 Ca 0.92 -0.46 -0.20 0.00 -2.23 0.00 0.00 60.65 58.68 1ioe s ILE 176 Cb -0.16 -4.66 0.30 0.00 -1.58 0.00 0.00 42.46 36.35 1ioe s ILE 176 CO 0.24 -1.57 0.97 0.35 -1.23 0.00 0.00 174.94 173.70 1ioe n THR 177 N 7.15 0.00 0.36 2.92 -2.24 -1.26 -4.92 114.28 116.29 1ioe n THR 177 Ca 0.31 -0.36 0.14 0.00 -2.27 0.00 0.00 64.05 61.87 1ioe n THR 177 Cb 0.50 -1.16 0.47 0.00 -2.10 0.00 0.00 70.33 68.03 1ioe n THR 177 CO 0.00 0.00 0.00 0.06 -0.57 0.00 0.00 175.07 174.56 1ioe h GLN 178 N 0.00 0.00 -0.01 -0.78 -0.00 -2.03 -2.92 115.11 109.38 1ioe h GLN 178 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.27 1ioe h GLN 178 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.65 1ioe h GLN 178 CO 0.24 0.00 -0.02 0.09 -0.00 0.00 0.00 178.83 179.14 1ioe n ASN 179 N -2.71 0.72 -4.34 0.06 3.02 -1.26 -4.83 115.26 105.92 1ioe n ASN 179 Ca 0.03 -1.13 -0.20 0.00 -0.03 0.00 0.00 54.58 53.24 1ioe n ASN 179 Cb 0.36 -0.01 -0.10 0.00 -0.61 0.00 0.00 39.78 39.42 1ioe n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ioe s MET 180 N -2.09 1.62 -0.25 3.52 0.23 -1.10 0.54 119.30 121.77 1ioe s MET 180 Ca 0.40 -1.91 -0.24 0.00 -1.03 0.00 0.00 55.69 52.92 1ioe s MET 180 Cb 0.21 -0.61 0.07 0.00 -1.53 0.00 0.00 34.83 32.97 1ioe s MET 180 CO 0.38 -0.28 0.68 -0.59 -2.03 0.00 0.00 175.02 173.18 1ioe s PHE 181 N -3.44 -0.74 0.66 3.16 -0.12 0.83 -4.64 117.98 113.69 1ioe s PHE 181 Ca 0.35 1.81 -0.12 0.00 -0.05 0.00 0.00 56.93 58.92 1ioe s PHE 181 Cb 0.07 0.26 -0.01 0.00 -0.63 0.00 0.00 43.02 42.71 1ioe s PHE 181 CO 0.15 -0.36 1.05 0.00 -0.05 0.00 0.00 175.22 176.01 1ioe s ALA 183 N -2.93 -2.29 0.00 0.00 0.00 0.63 -3.28 121.76 113.89 1ioe s ALA 183 Ca 0.59 1.91 0.00 0.00 0.00 0.00 0.00 51.96 54.46 1ioe s ALA 183 Cb -0.14 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.24 1ioe s ALA 183 CO 0.50 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.44 1ioe n GLY 184 N 2.56 0.29 3.23 0.00 0.00 -0.17 -0.70 105.19 110.40 1ioe n GLY 184 Ca -0.14 -1.14 -0.17 0.00 0.00 0.00 0.00 46.02 44.57 1ioe n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ioe s TYR 185 N -4.00 1.33 -0.08 1.61 2.02 -1.26 -3.88 117.35 113.08 1ioe s TYR 185 Ca 0.00 -0.59 -0.01 0.00 -0.37 0.00 0.00 57.07 56.10 1ioe s TYR 185 Cb 0.00 -0.69 -0.00 0.00 -0.40 0.00 0.00 41.96 40.86 1ioe s TYR 185 CO 0.00 0.12 -0.03 0.22 -1.57 0.00 0.00 175.55 174.29 1ioe h ASP 185 N 3.46 0.00 0.00 2.29 -0.00 -1.91 -3.42 116.42 116.83 1ioe h ASP 185 Ca -0.39 0.00 -0.09 0.00 -0.00 0.00 0.00 57.03 56.55 1ioe h ASP 185 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.51 1ioe h ASP 185 CO 0.52 0.43 -0.90 0.35 -0.00 0.00 0.00 179.24 179.64 1ioe n THR 185 N -4.16 1.46 -0.79 2.25 -2.24 -1.26 -2.35 114.28 107.19 1ioe n THR 185 Ca -0.01 0.11 -0.27 0.00 -2.27 0.00 0.00 64.05 61.60 1ioe n THR 185 Cb 0.04 -2.27 -0.02 0.00 -2.10 0.00 0.00 70.33 65.98 1ioe n THR 185 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ioe n LYS 186 N -4.52 0.00 -1.73 -0.78 4.81 -1.26 -4.59 118.16 110.08 1ioe n LYS 186 Ca -0.17 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 56.87 1ioe n LYS 186 Cb 0.44 -0.57 -0.01 0.00 0.02 0.00 0.00 35.03 34.90 1ioe n LYS 186 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1ioe n GLN 187 N 0.57 4.26 -3.72 1.64 1.13 -1.26 -4.81 117.38 115.19 1ioe n GLN 187 Ca 0.10 -2.98 -0.16 0.00 -1.94 0.00 0.00 57.00 52.03 1ioe n GLN 187 Cb 0.14 -2.70 -0.16 0.00 0.11 0.00 0.00 30.24 27.64 1ioe n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1ioe s GLU 188 N 0.12 0.02 0.19 -1.09 2.02 -1.26 -4.11 118.70 114.59 1ioe s GLU 188 Ca 0.60 0.38 -0.23 0.00 0.02 0.00 0.00 54.97 55.75 1ioe s GLU 188 Cb 0.18 -0.27 0.07 0.00 0.10 0.00 0.00 34.13 34.21 1ioe s GLU 188 CO -0.08 -0.23 1.00 0.34 0.02 0.00 0.00 175.26 176.31 1ioe s ASP 189 N 1.58 -0.05 0.31 -0.19 -1.08 -1.17 -4.21 116.67 111.86 1ioe s ASP 189 Ca -0.04 -0.63 0.00 0.00 -0.52 0.00 0.00 52.55 51.36 1ioe s ASP 189 Cb -0.12 0.52 0.00 0.00 -1.46 0.00 0.00 42.92 41.86 1ioe s ASP 189 CO -0.05 -1.02 0.00 0.00 0.52 0.00 0.00 175.17 174.62 1ioe n ALA 190 N -0.61 0.00 -3.00 3.66 0.00 -1.26 -0.97 120.51 118.33 1ioe n ALA 190 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1ioe n ALA 190 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1ioe n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ioe n GLN 192 N 0.00 2.46 0.00 0.00 7.27 -1.26 -1.84 117.38 124.01 1ioe n GLN 192 Ca 0.00 0.87 0.00 0.00 0.07 0.00 0.00 57.00 57.94 1ioe n GLN 192 Cb 0.00 -2.55 0.00 0.00 2.41 0.00 0.00 30.24 30.10 1ioe n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ioe n GLY 193 N 0.97 2.77 0.00 1.69 0.00 -1.26 -0.67 105.19 108.70 1ioe n GLY 193 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.16 1ioe n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ioe n ASP 194 N 0.46 0.01 -4.54 1.61 10.43 -0.77 -3.88 116.55 119.87 1ioe n ASP 194 Ca 0.00 0.50 -0.38 0.00 2.57 0.00 0.00 54.79 57.48 1ioe n ASP 194 Cb 0.00 -0.50 0.05 0.00 1.84 0.00 0.00 41.12 42.50 1ioe n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1ioe n SER 195 N -1.51 -0.17 0.00 -2.24 7.64 -1.25 -1.32 113.62 114.77 1ioe n SER 195 Ca 0.05 0.76 0.00 0.00 1.01 0.00 0.00 58.87 60.69 1ioe n SER 195 Cb 0.23 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 1ioe n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ioe n GLY 196 N 1.54 2.03 3.02 0.23 0.00 -0.44 0.20 105.19 111.77 1ioe n GLY 196 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 1ioe n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ioe n GLY 197 N -1.68 -2.56 3.78 -0.02 0.00 -0.44 -3.30 105.19 100.97 1ioe n GLY 197 Ca 0.00 -0.87 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 1ioe n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ioe s PRO 198 N -3.57 3.26 -0.26 1.61 0.04 -1.25 -2.98 135.00 131.85 1ioe s PRO 198 Ca 0.38 -0.27 -0.03 0.00 0.04 0.00 0.00 61.00 61.12 1ioe s PRO 198 Cb -0.06 -3.01 0.02 0.00 0.04 0.00 0.00 34.50 31.49 1ioe s PRO 198 CO 0.34 0.72 -0.02 -1.58 0.04 0.00 0.00 177.00 176.50 1ioe s HIS 199 N -0.89 3.10 -0.00 0.56 2.46 0.41 -2.48 115.29 118.45 1ioe s HIS 199 Ca 0.14 -1.44 0.06 0.00 0.47 0.00 0.00 55.06 54.28 1ioe s HIS 199 Cb -0.12 -2.11 -0.02 0.00 -0.13 0.00 0.00 32.58 30.21 1ioe s HIS 199 CO 0.03 -0.70 -0.18 0.14 -2.47 0.00 0.00 174.74 171.57 1ioe s VAL 200 N 1.36 1.40 0.04 0.89 -7.23 0.99 -1.89 120.40 115.95 1ioe s VAL 200 Ca 0.00 -0.81 -0.03 0.00 -1.81 0.00 0.00 61.98 59.33 1ioe s VAL 200 Cb -0.17 -1.17 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 1ioe s VAL 200 CO -0.03 0.35 0.23 -0.89 -0.31 0.00 0.00 175.10 174.45 1ioe s THR 201 N -0.48 5.37 -0.18 5.32 2.01 -0.70 0.64 115.64 127.61 1ioe s THR 201 Ca 0.06 -0.17 -0.03 0.00 0.31 0.00 0.00 61.69 61.87 1ioe s THR 201 Cb -0.07 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 1ioe s THR 201 CO -0.00 0.23 -0.06 -0.60 -0.69 0.00 0.00 174.62 173.50 1ioe s ARG 202 N -2.20 3.47 -0.29 4.92 3.52 -1.26 -1.02 118.95 126.09 1ioe s ARG 202 Ca 0.32 -0.61 -0.03 0.00 -0.13 0.00 0.00 55.73 55.29 1ioe s ARG 202 Cb -0.13 -2.90 0.10 0.00 -1.56 0.00 0.00 34.95 30.46 1ioe s ARG 202 CO 0.22 0.03 0.11 0.12 -0.81 0.00 0.00 175.30 174.98 1ioe s PHE 203 N 0.87 0.97 -0.70 5.12 5.36 -1.18 -4.87 117.98 123.56 1ioe s PHE 203 Ca -0.01 -1.25 -0.04 0.00 -0.96 0.00 0.00 56.93 54.66 1ioe s PHE 203 Cb -0.15 -1.27 0.00 0.00 -0.34 0.00 0.00 43.02 41.27 1ioe s PHE 203 CO 0.01 -0.83 0.58 1.63 -1.46 0.00 0.00 175.22 175.15 1ioe n LYS 204 N 5.06 -3.96 -1.76 10.12 5.02 -1.26 -3.47 118.16 127.91 1ioe n LYS 204 Ca -0.04 0.43 -0.11 0.00 -2.02 0.00 0.00 58.31 56.56 1ioe n LYS 204 Cb 0.42 -4.24 -0.03 0.00 -0.02 0.00 0.00 35.03 31.17 1ioe n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1ioe n ASP 205 N -0.77 -3.97 -3.66 4.39 8.00 -1.26 -5.00 116.55 114.28 1ioe n ASP 205 Ca 0.00 0.13 -0.27 0.00 0.71 0.00 0.00 54.79 55.36 1ioe n ASP 205 Cb 0.53 -2.82 -0.16 0.00 -0.02 0.00 0.00 41.12 38.65 1ioe n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ioe s THR 206 N -2.48 0.23 0.32 -3.53 2.01 -1.23 -5.14 115.64 105.82 1ioe s THR 206 Ca 0.00 -0.50 -0.27 0.00 0.31 0.00 0.00 61.69 61.23 1ioe s THR 206 Cb 0.00 -0.90 -0.09 0.00 0.01 0.00 0.00 72.50 71.52 1ioe s THR 206 CO 0.00 -0.35 0.99 -0.31 -0.69 0.00 0.00 174.62 174.26 1ioe s TYR 207 N 1.98 3.64 0.10 4.92 1.51 -1.26 -3.12 117.35 125.12 1ioe s TYR 207 Ca 0.02 1.77 0.10 0.00 -1.01 0.00 0.00 57.07 57.95 1ioe s TYR 207 Cb -0.17 -3.03 -0.04 0.00 -0.11 0.00 0.00 41.96 38.62 1ioe s TYR 207 CO -0.14 -0.03 -0.25 -0.06 -1.11 0.00 0.00 175.55 173.96 1ioe s PHE 208 N -1.48 2.11 -0.84 2.71 0.08 -0.19 -3.28 117.98 117.09 1ioe s PHE 208 Ca 0.49 -0.39 -0.25 0.00 0.12 0.00 0.00 56.93 56.90 1ioe s PHE 208 Cb -0.23 -1.17 0.05 0.00 -0.57 0.00 0.00 43.02 41.10 1ioe s PHE 208 CO 0.28 0.25 1.30 0.08 -0.10 0.00 0.00 175.22 177.04 1ioe s VAL 209 N -1.04 3.90 -0.10 -0.44 1.01 0.28 -1.73 120.40 122.29 1ioe s VAL 209 Ca 0.11 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 61.98 1ioe s VAL 209 Cb -0.10 -4.94 -0.24 0.00 0.00 0.00 0.00 36.38 31.10 1ioe s VAL 209 CO 0.05 -1.83 0.46 0.35 0.00 0.00 0.00 175.10 174.12 1ioe n THR 210 N 6.46 1.65 -3.60 3.92 -2.24 -0.89 -4.67 114.28 114.91 1ioe n THR 210 Ca 0.14 -0.74 -0.14 0.00 -2.27 0.00 0.00 64.05 61.04 1ioe n THR 210 Cb 0.49 -1.27 -0.06 0.00 -2.10 0.00 0.00 70.33 67.39 1ioe n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ioe s GLY 211 N -5.40 -0.40 -0.24 3.38 0.00 -0.79 -1.81 107.32 102.07 1ioe s GLY 211 Ca -0.13 0.62 -0.10 0.00 0.00 0.00 0.00 44.72 45.10 1ioe s GLY 211 CO 0.79 0.32 0.14 -0.42 0.00 0.00 0.00 173.10 173.93 1ioe s ILE 212 N -2.21 5.15 -0.01 0.90 1.01 -0.88 -0.44 121.20 124.71 1ioe s ILE 212 Ca -0.07 0.11 -0.33 0.00 0.00 0.00 0.00 60.65 60.36 1ioe s ILE 212 Cb -0.01 -3.40 -0.12 0.00 0.01 0.00 0.00 42.46 38.95 1ioe s ILE 212 CO 0.00 0.35 1.85 0.52 0.00 0.00 0.00 174.94 177.66 1ioe n VAL 213 N 4.37 0.51 0.00 2.92 0.31 -1.16 -0.11 118.33 125.16 1ioe n VAL 213 Ca -0.15 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1ioe n VAL 213 Cb 0.52 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 1ioe n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ioe n SER 214 N 6.21 0.00 -4.06 4.52 2.88 -1.14 -1.33 113.62 120.70 1ioe n SER 214 Ca 0.21 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.65 1ioe n SER 214 Cb 0.32 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.71 1ioe n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1ioe s TRP 215 N -0.20 0.69 0.11 0.66 1.48 -0.91 -4.89 118.94 115.87 1ioe s TRP 215 Ca 0.00 -0.99 -0.26 0.00 -1.06 0.00 0.00 56.10 53.78 1ioe s TRP 215 Cb 0.00 -0.11 0.08 0.00 -1.16 0.00 0.00 33.47 32.28 1ioe s TRP 215 CO 0.00 -0.86 1.01 0.20 -4.06 0.00 0.00 176.95 173.23 1ioe s GLY 216 N -3.08 -0.28 -0.60 3.67 0.00 -1.26 -0.97 107.32 104.80 1ioe s GLY 216 Ca 0.29 0.33 -0.15 0.00 0.00 0.00 0.00 44.72 45.19 1ioe s GLY 216 CO 0.10 0.06 0.54 -0.54 0.00 0.00 0.00 173.10 173.27 1ioe s GLU 217 N -3.12 3.05 2.14 2.90 2.02 -1.26 -4.94 118.70 119.49 1ioe s GLU 217 Ca 0.12 -1.89 0.00 0.00 0.02 0.00 0.00 54.97 53.21 1ioe s GLU 217 Cb -0.00 -4.27 0.00 0.00 0.10 0.00 0.00 34.13 29.95 1ioe s GLU 217 CO 0.00 -1.30 0.00 0.41 0.02 0.00 0.00 175.26 174.39 1ioe n GLY 218 N 4.90 -0.75 2.88 -1.39 0.00 -1.26 -4.62 105.19 104.96 1ioe n GLY 218 Ca -0.07 -1.32 -0.16 0.00 0.00 0.00 0.00 46.02 44.47 1ioe n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ioe n ALA 221 N 5.33 -0.34 -2.16 0.00 0.00 -1.26 -4.54 120.51 117.55 1ioe n ALA 221 Ca -0.05 0.22 -0.42 0.00 0.00 0.00 0.00 53.44 53.19 1ioe n ALA 221 Cb 0.50 -1.77 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 1ioe n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ioe s ARG 222 N -3.93 4.40 0.29 0.00 0.52 -1.26 -4.69 118.95 114.29 1ioe s ARG 222 Ca 0.00 1.95 -0.29 0.00 -0.52 0.00 0.00 55.73 56.87 1ioe s ARG 222 Cb 0.00 -3.26 -0.13 0.00 0.52 0.00 0.00 34.95 32.08 1ioe s ARG 222 CO 0.00 -0.26 1.26 1.63 0.02 0.00 0.00 175.30 177.94 1ioe n LYS 223 N 3.27 1.90 -1.06 3.54 5.02 -1.24 -1.58 118.16 128.01 1ioe n LYS 223 Ca 0.08 0.67 -0.02 0.00 -2.02 0.00 0.00 58.31 57.02 1ioe n LYS 223 Cb 0.44 -2.22 -0.01 0.00 -0.02 0.00 0.00 35.03 33.22 1ioe n LYS 223 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ioe n GLY 223 N 1.31 0.55 3.03 0.72 0.00 -0.99 -5.01 105.19 104.81 1ioe n GLY 223 Ca 0.08 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 1ioe n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ioe s LYS 224 N -1.39 0.44 0.39 1.61 -0.14 -0.61 -4.64 119.74 115.39 1ioe s LYS 224 Ca 0.00 -0.77 0.04 0.00 -1.36 0.00 0.00 55.97 53.88 1ioe s LYS 224 Cb 0.00 -0.03 -0.05 0.00 -1.68 0.00 0.00 37.83 36.08 1ioe s LYS 224 CO 0.00 -0.02 0.06 0.71 -0.76 0.00 0.00 175.35 175.34 1ioe s TYR 225 N -1.83 1.97 -0.22 3.18 2.02 -1.26 -4.57 117.35 116.64 1ioe s TYR 225 Ca -0.10 -1.01 -0.23 0.00 -0.37 0.00 0.00 57.07 55.36 1ioe s TYR 225 Cb -0.07 -1.36 -0.01 0.00 -0.40 0.00 0.00 41.96 40.11 1ioe s TYR 225 CO -0.02 0.01 0.76 0.20 -1.57 0.00 0.00 175.55 174.93 1ioe s GLY 226 N -3.61 1.88 -0.36 0.71 0.00 0.12 -4.58 107.32 101.50 1ioe s GLY 226 Ca 0.28 -0.18 -0.19 0.00 0.00 0.00 0.00 44.72 44.64 1ioe s GLY 226 CO 0.14 1.63 0.54 -0.42 0.00 0.00 0.00 173.10 174.99 1ioe s ILE 227 N 2.49 4.99 0.23 0.90 -1.09 -0.14 -0.27 121.20 128.31 1ioe s ILE 227 Ca 0.33 0.37 0.09 0.00 -2.23 0.00 0.00 60.65 59.20 1ioe s ILE 227 Cb -0.16 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.68 1ioe s ILE 227 CO 0.09 -0.25 -0.00 -0.31 -1.23 0.00 0.00 174.94 173.23 1ioe s TYR 228 N 2.47 2.75 0.03 3.97 1.51 0.19 -2.14 117.35 126.12 1ioe s TYR 228 Ca 0.20 -0.19 -0.29 0.00 -1.01 0.00 0.00 57.07 55.77 1ioe s TYR 228 Cb -0.15 -1.27 -0.04 0.00 -0.11 0.00 0.00 41.96 40.39 1ioe s TYR 228 CO 0.14 0.57 0.94 0.99 -1.11 0.00 0.00 175.55 177.09 1ioe s THR 229 N -2.08 4.78 -0.39 -0.71 2.01 0.84 -0.12 115.64 119.98 1ioe s THR 229 Ca 0.30 2.00 -0.28 0.00 0.31 0.00 0.00 61.69 64.01 1ioe s THR 229 Cb -0.08 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.14 1ioe s THR 229 CO 0.19 0.22 1.64 -0.75 -0.69 0.00 0.00 174.62 175.23 1ioe s LYS 230 N 0.68 3.38 0.09 4.92 2.20 0.19 -2.08 119.74 129.13 1ioe s LYS 230 Ca 0.49 1.16 -0.15 0.00 -0.36 0.00 0.00 55.97 57.11 1ioe s LYS 230 Cb -0.21 -4.14 -0.13 0.00 -1.51 0.00 0.00 37.83 31.84 1ioe s LYS 230 CO 0.28 -1.80 1.34 0.28 -0.36 0.00 0.00 175.35 175.09 1ioe h VAL 231 N 6.67 1.31 -0.87 4.02 2.07 -1.66 -3.10 116.25 124.69 1ioe h VAL 231 Ca -0.31 -1.70 0.20 0.00 0.82 0.00 0.00 66.70 65.72 1ioe h VAL 231 Cb 1.14 1.84 -0.06 0.00 -1.52 0.00 0.00 31.29 32.69 1ioe h VAL 231 CO 1.07 0.53 0.58 0.71 0.02 0.00 0.00 177.57 180.48 1ioe h THR 232 N 0.40 0.69 -0.03 2.57 1.35 -1.87 0.15 112.91 116.17 1ioe h THR 232 Ca 0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1ioe h THR 232 Cb 1.08 0.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1ioe h THR 232 CO 0.10 0.07 0.00 0.00 -0.25 0.00 0.00 175.52 175.44 1ioe n ALA 233 N -2.53 2.54 -0.47 6.62 0.00 -1.17 -3.43 120.51 122.07 1ioe n ALA 233 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1ioe n ALA 233 Cb 0.68 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.13 1ioe n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ioe n PHE 234 N -0.11 0.00 -0.11 0.00 3.72 0.44 -4.96 117.46 116.44 1ioe n PHE 234 Ca 0.01 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.38 1ioe n PHE 234 Cb 0.21 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.72 1ioe n PHE 234 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1ioe n LEU 235 N 0.00 -0.28 -0.43 4.37 4.32 -0.79 0.60 117.00 124.79 1ioe n LEU 235 Ca 0.00 1.12 0.35 0.00 -0.02 0.00 0.00 56.01 57.46 1ioe n LEU 235 Cb 0.07 -0.38 0.64 0.00 -1.62 0.00 0.00 43.42 42.12 1ioe n LEU 235 CO 0.00 -0.71 1.26 0.11 -1.22 0.00 0.00 177.39 176.82 1ioe h LYS 236 N 0.00 0.13 -0.15 3.23 1.57 -1.91 0.72 116.57 120.17 1ioe h LYS 236 Ca 0.04 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.69 1ioe h LYS 236 Cb 0.11 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1ioe h LYS 236 CO -0.25 0.09 -0.40 2.35 -0.57 0.00 0.00 179.45 180.67 1ioe h TRP 237 N 0.14 0.69 -0.09 -1.35 7.01 -0.22 -2.12 115.95 120.00 1ioe h TRP 237 Ca 0.76 -0.27 0.03 0.00 2.11 0.00 0.00 58.89 61.52 1ioe h TRP 237 Cb 2.41 -0.12 -0.00 0.00 -2.10 0.00 0.00 29.16 29.34 1ioe h TRP 237 CO -0.00 1.02 0.07 0.82 -2.79 0.00 0.00 178.44 177.55 1ioe h ILE 238 N 0.16 0.90 0.25 2.65 2.04 0.32 -0.35 117.51 123.48 1ioe h ILE 238 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1ioe h ILE 238 Cb 1.01 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1ioe h ILE 238 CO 0.09 0.00 -0.12 0.44 0.00 0.00 0.00 178.15 178.55 1ioe h ASP 239 N 0.00 -0.29 0.00 1.72 5.19 -1.07 -1.85 116.42 120.13 1ioe h ASP 239 Ca 0.04 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1ioe h ASP 239 Cb 0.17 0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.76 1ioe h ASP 239 CO -0.00 0.08 0.14 -1.14 -3.12 0.00 0.00 179.24 175.20 1ioe n ARG 240 N -4.50 0.00 -0.05 3.56 0.63 -0.81 0.56 116.66 116.05 1ioe n ARG 240 Ca -0.04 0.32 -0.16 0.00 -0.92 0.00 0.00 57.85 57.05 1ioe n ARG 240 Cb 0.13 -1.64 -0.14 0.00 0.45 0.00 0.00 32.46 31.27 1ioe n ARG 240 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1ioe n SER 241 N -1.31 1.55 0.08 6.15 2.88 -0.17 -1.94 113.62 120.87 1ioe n SER 241 Ca 0.00 0.14 -0.20 0.00 -1.33 0.00 0.00 58.87 57.49 1ioe n SER 241 Cb 0.14 -0.34 -0.11 0.00 -0.75 0.00 0.00 64.21 63.14 1ioe n SER 241 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1ioe h MET 242 N 0.03 0.55 0.00 -1.46 2.86 0.99 -0.80 114.93 117.10 1ioe h MET 242 Ca -0.45 -0.71 0.00 0.00 -2.06 0.00 0.00 59.70 56.48 1ioe h MET 242 Cb 2.03 0.23 0.00 0.00 0.06 0.00 0.00 31.60 33.92 1ioe h MET 242 CO 0.04 1.31 0.00 1.63 1.06 0.00 0.00 176.91 180.94 1ioe n LYS 243 N -3.76 0.57 -2.13 1.72 4.76 0.80 -4.90 118.16 115.23 1ioe n LYS 243 Ca -0.12 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 1ioe n LYS 243 Cb 0.95 -1.23 0.00 0.00 -1.84 0.00 0.00 35.03 32.91 1ioe n LYS 243 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1ioe n THR 244 N -0.73-13.09 -0.28 -0.18 -1.04 -0.30 -5.02 114.28 93.64 1ioe n THR 244 Ca 0.06 3.19 0.00 0.00 -2.04 0.00 0.00 64.05 65.27 1ioe n THR 244 Cb 0.03 -5.67 0.00 0.00 -1.82 0.00 0.00 70.33 62.87 1ioe n THR 244 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29