#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ix9 n LYS 3 N 0.00 1.87 -3.90 -0.78 4.81 -1.26 -4.99 118.16 113.90 3ix9 n LYS 3 Ca 0.00 0.66 -0.08 0.00 -0.87 0.00 0.00 58.31 58.01 3ix9 n LYS 3 Cb 0.00 -2.17 -0.04 0.00 0.02 0.00 0.00 35.03 32.85 3ix9 n LYS 3 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 3ix9 s LYS 4 N -1.75 1.64 -0.26 1.64 -2.85 -1.26 -5.03 119.74 111.87 3ix9 s LYS 4 Ca 0.57 -1.09 -0.12 0.00 -1.00 0.00 0.00 55.97 54.33 3ix9 s LYS 4 Cb -0.61 0.54 -0.05 0.00 -2.06 0.00 0.00 37.83 35.65 3ix9 s LYS 4 CO 0.61 -0.72 0.22 0.42 0.10 0.00 0.00 175.35 175.98 3ix9 s ILE 5 N -3.96 5.30 -0.08 3.79 1.01 -1.26 -1.77 121.20 124.23 3ix9 s ILE 5 Ca 0.16 0.26 0.05 0.00 0.00 0.00 0.00 60.65 61.11 3ix9 s ILE 5 Cb -0.03 -3.56 -0.00 0.00 0.01 0.00 0.00 42.46 38.88 3ix9 s ILE 5 CO 0.07 0.26 -0.24 -0.69 0.00 0.00 0.00 174.94 174.34 3ix9 s VAL 6 N 1.57 2.09 -0.14 2.92 1.01 0.40 0.04 120.40 128.30 3ix9 s VAL 6 Ca 0.09 -1.03 -0.09 0.00 0.00 0.00 0.00 61.98 60.95 3ix9 s VAL 6 Cb -0.15 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 3ix9 s VAL 6 CO 0.09 0.56 0.18 0.00 0.00 0.00 0.00 175.10 175.93 3ix9 s ALA 7 N 0.15 3.78 -0.02 5.51 0.00 -0.24 -0.44 121.76 130.50 3ix9 s ALA 7 Ca -0.13 -0.60 0.04 0.00 0.00 0.00 0.00 51.96 51.27 3ix9 s ALA 7 Cb -0.16 -2.11 -0.01 0.00 0.00 0.00 0.00 23.12 20.84 3ix9 s ALA 7 CO 0.07 0.41 -0.12 -1.50 0.00 0.00 0.00 175.76 174.62 3ix9 s ILE 8 N -0.45 1.00 0.10 0.00 2.07 -0.93 -0.47 121.20 122.51 3ix9 s ILE 8 Ca 0.14 -0.52 -0.26 0.00 -1.41 0.00 0.00 60.65 58.60 3ix9 s ILE 8 Cb -0.12 -0.85 0.08 0.00 0.13 0.00 0.00 42.46 41.69 3ix9 s ILE 8 CO 0.03 0.29 0.91 -1.66 -1.91 0.00 0.00 174.94 172.60 3ix9 s TRP 9 N -0.13 -0.23 -0.02 3.50 -2.14 -0.98 -4.52 118.94 114.42 3ix9 s TRP 9 Ca 0.02 -0.02 0.04 0.00 2.66 0.00 0.00 56.10 58.80 3ix9 s TRP 9 Cb -0.07 0.60 -0.01 0.00 -3.10 0.00 0.00 33.47 30.90 3ix9 s TRP 9 CO 0.00 -0.74 -0.14 0.00 -2.66 0.00 0.00 176.95 173.40 3ix9 s ALA 10 N -3.28 1.25 0.04 2.67 0.00 -1.26 -0.92 121.76 120.27 3ix9 s ALA 10 Ca 0.09 -0.59 -0.06 0.00 0.00 0.00 0.00 51.96 51.40 3ix9 s ALA 10 Cb -0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 3ix9 s ALA 10 CO -0.02 0.26 0.11 1.14 0.00 0.00 0.00 175.76 177.24 3ix9 s GLN 11 N -0.10 0.61 0.43 0.00 -2.07 -0.71 -4.61 119.66 113.20 3ix9 s GLN 11 Ca 0.01 -0.76 -0.06 0.00 -1.82 0.00 0.00 55.36 52.73 3ix9 s GLN 11 Cb -0.08 0.24 0.10 0.00 -1.09 0.00 0.00 33.01 32.17 3ix9 s GLN 11 CO 0.01 -0.16 0.58 -0.40 -1.32 0.00 0.00 175.29 174.00 3ix9 n ASP 12 N 0.71 0.20 0.32 12.60 5.75 -0.67 -0.99 116.55 134.47 3ix9 n ASP 12 Ca -0.19 -1.30 0.19 0.00 -0.01 0.00 0.00 54.79 53.48 3ix9 n ASP 12 Cb 0.59 -0.43 1.07 0.00 -1.03 0.00 0.00 41.12 41.32 3ix9 n ASP 12 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3ix9 h GLU 13 N 0.00 0.00 -0.54 0.11 5.08 -1.28 -1.78 114.58 116.17 3ix9 h GLU 13 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3ix9 h GLU 13 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3ix9 h GLU 13 CO 0.15 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.55 3ix9 n GLU 14 N -3.43 2.79 -0.72 2.33 -0.58 -1.26 -4.95 120.64 114.81 3ix9 n GLU 14 Ca -0.03 -2.36 0.00 0.00 -0.42 0.00 0.00 57.16 54.35 3ix9 n GLU 14 Cb 0.09 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 3ix9 n GLU 14 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ix9 n GLY 15 N 1.09 0.64 3.75 0.62 0.00 -0.67 -4.94 105.19 105.68 3ix9 n GLY 15 Ca 0.18 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3ix9 n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ix9 s VAL 16 N -2.00 2.85 0.00 1.61 1.01 -1.26 -1.26 120.40 121.36 3ix9 s VAL 16 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.70 3ix9 s VAL 16 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.92 3ix9 s VAL 16 CO 0.00 0.12 0.00 2.30 0.00 0.00 0.00 175.10 177.52 3ix9 n ILE 17 N 2.26 0.00 -3.71 2.22 -5.35 0.06 -1.66 119.36 113.18 3ix9 n ILE 17 Ca 0.06 -0.16 -0.10 0.00 -0.27 0.00 0.00 62.75 62.28 3ix9 n ILE 17 Cb 0.41 0.65 -0.04 0.00 -1.74 0.00 0.00 39.64 38.92 3ix9 n ILE 17 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3ix9 s GLY 18 N -1.00 -0.14 -0.29 3.28 0.00 -0.96 -4.60 107.32 103.60 3ix9 s GLY 18 Ca 0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 44.72 44.42 3ix9 s GLY 18 CO 0.00 -0.25 0.75 1.25 0.00 0.00 0.00 173.10 174.85 3ix9 s LYS 19 N -3.86 0.56 -1.45 2.90 2.47 -0.05 -0.80 119.74 119.51 3ix9 s LYS 19 Ca 0.08 1.18 -0.03 0.00 -1.56 0.00 0.00 55.97 55.64 3ix9 s LYS 19 Cb -0.00 0.48 0.03 0.00 -1.46 0.00 0.00 37.83 36.87 3ix9 s LYS 19 CO -0.05 -0.16 0.51 -0.25 0.16 0.00 0.00 175.35 175.57 3ix9 n ASP 20 N 4.81 -1.01 -2.43 1.43 8.00 -1.26 -1.28 116.55 124.81 3ix9 n ASP 20 Ca -0.15 -0.99 -0.18 0.00 0.71 0.00 0.00 54.79 54.18 3ix9 n ASP 20 Cb 0.54 -3.11 -0.01 0.00 -0.02 0.00 0.00 41.12 38.52 3ix9 n ASP 20 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ix9 n ASN 21 N -2.94 -5.30 -3.03 -2.24 5.03 -1.26 -4.97 115.26 100.55 3ix9 n ASN 21 Ca -0.24 0.04 -0.16 0.00 0.87 0.00 0.00 54.58 55.09 3ix9 n ASN 21 Cb 0.65 -4.43 -0.05 0.00 -1.02 0.00 0.00 39.78 34.93 3ix9 n ASN 21 CO 0.00 0.00 0.00 -2.11 -1.83 0.00 0.00 177.26 173.32 3ix9 n ARG 22 N -2.97 0.55 -3.58 3.52 1.85 -0.40 -4.72 116.66 110.90 3ix9 n ARG 22 Ca -0.21 -2.94 -0.36 0.00 -1.00 0.00 0.00 57.85 53.33 3ix9 n ARG 22 Cb 0.66 2.62 -0.08 0.00 -1.05 0.00 0.00 32.46 34.61 3ix9 n ARG 22 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3ix9 s LEU 23 N 0.00 4.17 -0.08 2.89 1.02 -1.26 -0.87 118.68 124.55 3ix9 s LEU 23 Ca 0.33 0.32 -0.04 0.00 0.02 0.00 0.00 54.13 54.75 3ix9 s LEU 23 Cb 0.00 -2.26 -0.18 0.00 0.02 0.00 0.00 46.19 43.77 3ix9 s LEU 23 CO 0.23 0.07 2.71 -0.81 0.02 0.00 0.00 176.35 178.57 3ix9 n PRO 24 N 3.99 1.51 -3.75 1.29 -0.04 -1.26 -4.74 135.00 131.99 3ix9 n PRO 24 Ca -0.13 -0.78 0.02 0.00 -0.04 0.00 0.00 63.50 62.57 3ix9 n PRO 24 Cb 0.52 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 3ix9 n PRO 24 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3ix9 s TRP 25 N 1.67 -0.01 -0.20 0.54 -2.14 -1.26 -4.89 118.94 112.64 3ix9 s TRP 25 Ca 0.48 -0.11 -0.04 0.00 2.66 0.00 0.00 56.10 59.09 3ix9 s TRP 25 Cb 0.22 0.56 0.10 0.00 -3.10 0.00 0.00 33.47 31.25 3ix9 s TRP 25 CO -0.00 -0.31 0.29 -0.47 -2.66 0.00 0.00 176.95 173.79 3ix9 s TYR 26 N -2.29 -0.49 -0.36 1.66 5.04 -1.26 -5.10 117.35 114.55 3ix9 s TYR 26 Ca 0.19 0.60 -0.00 0.00 -2.44 0.00 0.00 57.07 55.42 3ix9 s TYR 26 Cb 0.03 -0.16 0.12 0.00 0.35 0.00 0.00 41.96 42.30 3ix9 s TYR 26 CO -0.02 -0.59 0.18 -0.51 -1.34 0.00 0.00 175.55 173.27 3ix9 s LEU 27 N 2.42 1.70 0.38 6.97 1.43 -1.26 -4.73 118.68 125.59 3ix9 s LEU 27 Ca 0.07 -2.06 0.13 0.00 -1.03 0.00 0.00 54.13 51.25 3ix9 s LEU 27 Cb -0.15 -0.68 0.94 0.00 0.03 0.00 0.00 46.19 46.33 3ix9 s LEU 27 CO -0.13 -0.34 1.83 1.55 0.23 0.00 0.00 176.35 179.50 3ix9 h PRO 28 N 7.39 0.54 0.00 1.29 0.13 -2.00 0.14 132.00 139.49 3ix9 h PRO 28 Ca -0.04 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.99 3ix9 h PRO 28 Cb 0.97 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.97 3ix9 h PRO 28 CO 0.40 0.36 -0.31 0.00 -0.23 0.00 0.00 178.00 178.22 3ix9 h ALA 29 N 1.61 1.35 0.06 -0.56 0.00 -1.95 0.58 119.26 120.35 3ix9 h ALA 29 Ca 0.50 -0.28 -0.24 0.00 0.00 0.00 0.00 54.91 54.89 3ix9 h ALA 29 Cb 1.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3ix9 h ALA 29 CO -0.24 0.38 -1.07 1.49 0.00 0.00 0.00 179.25 179.81 3ix9 h GLU 30 N 0.00 0.23 -0.04 0.00 4.22 -1.20 -2.19 114.58 115.60 3ix9 h GLU 30 Ca -0.00 -0.32 -0.14 0.00 0.08 0.00 0.00 59.36 58.98 3ix9 h GLU 30 Cb 0.59 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 3ix9 h GLU 30 CO 0.04 1.10 -0.60 -0.07 -2.18 0.00 0.00 179.01 177.31 3ix9 h LEU 31 N 0.09 0.16 -0.51 1.64 3.38 -0.83 -1.03 115.31 118.21 3ix9 h LEU 31 Ca -0.08 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.67 3ix9 h LEU 31 Cb 1.77 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.46 3ix9 h LEU 31 CO 0.17 0.72 -0.17 1.56 0.09 0.00 0.00 178.44 180.81 3ix9 h GLN 32 N 0.11 1.02 -0.45 1.13 4.20 -0.81 -1.81 115.11 118.49 3ix9 h GLN 32 Ca -0.01 -0.41 0.03 0.00 0.06 0.00 0.00 58.65 58.32 3ix9 h GLN 32 Cb 1.08 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.78 3ix9 h GLN 32 CO 0.09 1.10 0.25 1.25 -0.67 0.00 0.00 178.83 180.84 3ix9 h HIS 33 N 0.88 0.46 -0.69 2.96 -0.00 -1.06 -0.52 115.15 117.18 3ix9 h HIS 33 Ca 0.12 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.54 3ix9 h HIS 33 Cb 0.75 -0.14 -0.04 0.00 -0.00 0.00 0.00 27.41 27.97 3ix9 h HIS 33 CO 0.05 0.25 0.43 0.35 -0.00 0.00 0.00 177.93 179.01 3ix9 h PHE 34 N 0.49 0.81 -0.27 5.26 3.57 -0.79 -1.60 116.94 124.41 3ix9 h PHE 34 Ca 0.19 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 3ix9 h PHE 34 Cb 0.06 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 3ix9 h PHE 34 CO -0.09 0.46 0.01 -0.22 -2.23 0.00 0.00 178.31 176.25 3ix9 h LYS 35 N 0.84 0.47 -0.82 1.11 3.64 -0.94 -2.25 116.57 118.63 3ix9 h LYS 35 Ca 0.28 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 59.55 3ix9 h LYS 35 Cb 0.02 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 3ix9 h LYS 35 CO -0.11 0.61 0.52 1.49 -2.27 0.00 0.00 179.45 179.70 3ix9 h GLU 36 N 0.26 0.99 -0.34 1.90 4.22 -0.76 0.46 114.58 121.32 3ix9 h GLU 36 Ca 0.08 -0.06 -0.04 0.00 0.08 0.00 0.00 59.36 59.42 3ix9 h GLU 36 Cb 0.39 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3ix9 h GLU 36 CO 0.01 0.66 0.07 1.15 -2.18 0.00 0.00 179.01 178.71 3ix9 h THR 37 N 1.02 1.23 0.00 0.32 2.02 -1.19 -3.30 112.91 113.01 3ix9 h THR 37 Ca 0.32 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.70 3ix9 h THR 37 Cb -0.00 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 3ix9 h THR 37 CO -0.11 0.27 -0.97 0.35 0.37 0.00 0.00 175.52 175.43 3ix9 n THR 38 N -4.60 0.07 -1.53 3.16 -2.24 -0.86 -4.96 114.28 103.33 3ix9 n THR 38 Ca -0.02 -0.13 -0.48 0.00 -2.27 0.00 0.00 64.05 61.15 3ix9 n THR 38 Cb 0.21 0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 68.86 3ix9 n THR 38 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3ix9 n LEU 39 N -1.74 0.80 -0.90 3.22 7.94 0.14 -1.42 117.00 125.05 3ix9 n LEU 39 Ca 0.03 1.15 -0.12 0.00 -1.11 0.00 0.00 56.01 55.97 3ix9 n LEU 39 Cb 0.39 -1.15 -0.05 0.00 0.53 0.00 0.00 43.42 43.14 3ix9 n LEU 39 CO 0.40 -1.82 -0.11 0.59 -1.11 0.00 0.00 177.39 175.34 3ix9 n ASN 40 N 1.69 -5.05 -2.21 1.96 5.03 0.17 -4.97 115.26 111.87 3ix9 n ASN 40 Ca 0.14 0.29 -0.07 0.00 0.87 0.00 0.00 54.58 55.81 3ix9 n ASN 40 Cb 0.26 -3.58 -0.02 0.00 -1.02 0.00 0.00 39.78 35.42 3ix9 n ASN 40 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3ix9 n HIS 41 N -2.45 0.09 -3.95 3.10 8.25 -0.51 -4.95 115.22 114.81 3ix9 n HIS 41 Ca -0.12 -0.66 -0.32 0.00 -0.26 0.00 0.00 57.72 56.36 3ix9 n HIS 41 Cb 0.49 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.53 3ix9 n HIS 41 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ix9 s ALA 42 N -2.27 3.88 -0.02 -1.41 0.00 -1.21 -0.89 121.76 119.84 3ix9 s ALA 42 Ca 0.04 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.17 3ix9 s ALA 42 Cb 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.37 3ix9 s ALA 42 CO 0.03 0.79 -0.10 0.96 0.00 0.00 0.00 175.76 177.44 3ix9 s ILE 43 N -1.43 0.87 -0.18 0.00 -4.36 0.05 -1.62 121.20 114.52 3ix9 s ILE 43 Ca 0.31 -0.42 -0.01 0.00 -0.26 0.00 0.00 60.65 60.27 3ix9 s ILE 43 Cb -0.13 -0.76 -0.00 0.00 1.25 0.00 0.00 42.46 42.82 3ix9 s ILE 43 CO 0.24 0.26 -0.11 -0.22 0.24 0.00 0.00 174.94 175.35 3ix9 s LEU 44 N 0.09 2.63 0.08 0.37 0.20 0.41 -0.20 118.68 122.25 3ix9 s LEU 44 Ca -0.02 -0.45 0.05 0.00 0.69 0.00 0.00 54.13 54.40 3ix9 s LEU 44 Cb -0.08 -1.63 -0.03 0.00 -0.43 0.00 0.00 46.19 44.02 3ix9 s LEU 44 CO 0.00 0.04 -0.13 0.00 -0.29 0.00 0.00 176.35 175.97 3ix9 s MET 45 N 1.11 0.82 0.63 1.98 0.23 -0.81 -1.29 119.30 121.98 3ix9 s MET 45 Ca 0.01 -1.00 -0.15 0.00 -1.03 0.00 0.00 55.69 53.52 3ix9 s MET 45 Cb -0.14 -0.74 -0.01 0.00 -1.53 0.00 0.00 34.83 32.40 3ix9 s MET 45 CO -0.03 0.15 1.09 0.20 -2.03 0.00 0.00 175.02 174.40 3ix9 s GLY 46 N -1.91 2.12 0.36 3.16 0.00 -1.09 -2.31 107.32 107.65 3ix9 s GLY 46 Ca -0.00 0.46 0.10 0.00 0.00 0.00 0.00 44.72 45.28 3ix9 s GLY 46 CO 0.02 0.80 1.86 -0.09 0.00 0.00 0.00 173.10 175.69 3ix9 h ARG 47 N 0.15 0.63 0.07 2.90 1.12 -1.78 -1.68 114.38 115.79 3ix9 h ARG 47 Ca -0.47 -0.04 0.01 0.00 -1.11 0.00 0.00 59.98 58.37 3ix9 h ARG 47 Cb 1.23 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 31.04 3ix9 h ARG 47 CO 0.55 0.42 -0.09 0.28 -3.11 0.00 0.00 179.97 178.02 3ix9 h VAL 48 N 0.65 0.78 -0.60 0.20 2.07 -1.91 -0.85 116.25 116.60 3ix9 h VAL 48 Ca 0.46 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.95 3ix9 h VAL 48 Cb 0.80 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 3ix9 h VAL 48 CO -0.22 0.00 0.24 0.74 0.02 0.00 0.00 177.57 178.35 3ix9 h THR 49 N -0.20 1.23 -0.54 2.57 2.02 -1.75 0.13 112.91 116.37 3ix9 h THR 49 Ca 0.01 -0.71 0.08 0.00 0.77 0.00 0.00 66.41 66.56 3ix9 h THR 49 Cb 0.21 0.58 -0.06 0.00 -1.74 0.00 0.00 68.15 67.14 3ix9 h THR 49 CO -0.05 0.28 0.19 0.15 0.37 0.00 0.00 175.52 176.46 3ix9 h PHE 50 N 0.83 0.33 -0.67 3.16 3.57 -0.96 -0.04 116.94 123.16 3ix9 h PHE 50 Ca 0.20 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.65 3ix9 h PHE 50 Cb 0.20 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 3ix9 h PHE 50 CO 0.01 0.09 0.10 -0.44 -2.23 0.00 0.00 178.31 175.85 3ix9 h ASP 51 N 0.36 1.07 -0.11 0.41 3.32 -0.73 -0.66 116.42 120.09 3ix9 h ASP 51 Ca 0.26 -0.26 0.03 0.00 0.02 0.00 0.00 57.03 57.08 3ix9 h ASP 51 Cb 0.30 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 3ix9 h ASP 51 CO -0.27 1.06 0.10 1.23 -1.72 0.00 0.00 179.24 179.63 3ix9 h GLY 52 N 1.04 0.00 -2.98 2.75 0.00 0.11 -1.24 103.07 102.74 3ix9 h GLY 52 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.33 3ix9 h GLY 52 CO 0.01 0.00 0.19 1.15 0.00 0.00 0.00 176.54 177.89 3ix9 n MET 53 N -4.13 3.04 -1.89 4.80 0.00 -0.52 -4.92 117.12 113.50 3ix9 n MET 53 Ca -0.00 -3.06 -0.14 0.00 0.00 0.00 0.00 57.70 54.50 3ix9 n MET 53 Cb 0.21 -2.06 -0.03 0.00 0.00 0.00 0.00 33.22 31.34 3ix9 n MET 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3ix9 n GLY 54 N -0.53 0.52 2.36 3.17 0.00 -0.47 -2.62 105.19 107.63 3ix9 n GLY 54 Ca 0.38 -0.33 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 3ix9 n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ix9 n ARG 55 N -2.45 -1.54 -1.89 1.61 1.74 -0.27 -4.88 116.66 108.97 3ix9 n ARG 55 Ca -0.15 0.97 -0.43 0.00 -0.77 0.00 0.00 57.85 57.47 3ix9 n ARG 55 Cb 0.55 -5.39 -0.03 0.00 -1.02 0.00 0.00 32.46 26.57 3ix9 n ARG 55 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3ix9 s ARG 56 N -3.95 3.78 -0.30 5.56 3.52 -1.08 -4.96 118.95 121.54 3ix9 s ARG 56 Ca 0.00 2.02 -0.25 0.00 -0.13 0.00 0.00 55.73 57.37 3ix9 s ARG 56 Cb 0.00 -4.13 0.00 0.00 -1.56 0.00 0.00 34.95 29.26 3ix9 s ARG 56 CO 0.00 -1.33 0.88 -0.51 -0.81 0.00 0.00 175.30 173.53 3ix9 s LEU 57 N 5.53 4.05 0.40 -0.88 1.43 -1.26 -5.03 118.68 122.92 3ix9 s LEU 57 Ca 0.82 0.84 -0.25 0.00 -1.03 0.00 0.00 54.13 54.51 3ix9 s LEU 57 Cb -0.32 -3.24 -0.08 0.00 0.03 0.00 0.00 46.19 42.58 3ix9 s LEU 57 CO 0.33 -0.68 1.13 -0.76 0.23 0.00 0.00 176.35 176.61 3ix9 s LEU 58 N 3.14 4.17 0.51 1.79 1.43 -1.26 -5.01 118.68 123.44 3ix9 s LEU 58 Ca 0.37 2.25 -0.20 0.00 -1.03 0.00 0.00 54.13 55.52 3ix9 s LEU 58 Cb -0.14 -4.08 -0.07 0.00 0.03 0.00 0.00 46.19 41.93 3ix9 s LEU 58 CO 0.12 -0.64 1.08 -2.16 0.23 0.00 0.00 176.35 174.99 3ix9 s PRO 59 N -2.37 3.62 -1.43 1.29 0.04 -1.26 -3.87 135.00 131.02 3ix9 s PRO 59 Ca 0.58 1.48 -0.06 0.00 0.04 0.00 0.00 61.00 63.03 3ix9 s PRO 59 Cb -0.28 -2.07 0.04 0.00 0.04 0.00 0.00 34.50 32.23 3ix9 s PRO 59 CO 0.35 -0.60 0.74 1.63 0.04 0.00 0.00 177.00 179.16 3ix9 n LYS 60 N -1.08 -4.66 -3.76 4.56 5.02 -1.26 -4.81 118.16 112.17 3ix9 n LYS 60 Ca 0.10 0.55 -0.13 0.00 -2.02 0.00 0.00 58.31 56.81 3ix9 n LYS 60 Cb 0.52 -5.14 -0.10 0.00 -0.02 0.00 0.00 35.03 30.28 3ix9 n LYS 60 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3ix9 s ARG 61 N -6.38 0.46 -0.35 1.97 6.06 -1.25 0.43 118.95 119.88 3ix9 s ARG 61 Ca 0.28 0.29 -0.13 0.00 -2.50 0.00 0.00 55.73 53.67 3ix9 s ARG 61 Cb -0.14 0.21 -0.01 0.00 0.06 0.00 0.00 34.95 35.07 3ix9 s ARG 61 CO 0.84 -0.08 0.25 -2.00 -2.50 0.00 0.00 175.30 171.81 3ix9 s GLU 62 N -0.21 3.42 -0.13 5.12 2.12 -0.07 -4.91 118.70 124.03 3ix9 s GLU 62 Ca -0.03 -0.70 -0.17 0.00 0.36 0.00 0.00 54.97 54.42 3ix9 s GLU 62 Cb -0.03 -3.83 -0.04 0.00 0.26 0.00 0.00 34.13 30.48 3ix9 s GLU 62 CO 0.01 -0.49 0.44 0.99 -0.54 0.00 0.00 175.26 175.67 3ix9 s THR 63 N 1.72 5.21 -0.11 -1.70 2.01 -1.26 -0.77 115.64 120.74 3ix9 s THR 63 Ca 0.06 0.86 0.02 0.00 0.31 0.00 0.00 61.69 62.94 3ix9 s THR 63 Cb -0.18 -3.78 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 3ix9 s THR 63 CO 0.10 0.33 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.42 3ix9 s LEU 64 N 0.65 2.39 -0.10 4.42 1.02 0.72 -2.02 118.68 125.75 3ix9 s LEU 64 Ca 0.24 -0.44 0.02 0.00 0.02 0.00 0.00 54.13 53.97 3ix9 s LEU 64 Cb -0.15 -1.50 -0.01 0.00 0.02 0.00 0.00 46.19 44.55 3ix9 s LEU 64 CO 0.09 0.17 -0.17 -0.63 0.02 0.00 0.00 176.35 175.83 3ix9 s ILE 65 N 0.29 2.74 -0.21 -0.59 -1.09 -0.02 -1.92 121.20 120.39 3ix9 s ILE 65 Ca -0.14 -0.79 -0.08 0.00 -2.23 0.00 0.00 60.65 57.41 3ix9 s ILE 65 Cb -0.17 -2.10 -0.04 0.00 -1.58 0.00 0.00 42.46 38.57 3ix9 s ILE 65 CO 0.07 0.55 0.09 -0.22 -1.23 0.00 0.00 174.94 174.20 3ix9 s LEU 66 N 0.05 3.78 0.15 2.97 2.96 -0.98 -0.93 118.68 126.69 3ix9 s LEU 66 Ca -0.07 0.01 -0.21 0.00 -0.22 0.00 0.00 54.13 53.64 3ix9 s LEU 66 Cb -0.15 -1.99 0.06 0.00 0.50 0.00 0.00 46.19 44.61 3ix9 s LEU 66 CO 0.05 0.09 0.54 0.28 -1.32 0.00 0.00 176.35 175.99 3ix9 s THR 67 N 0.88 0.02 -2.10 3.68 -1.32 -0.62 -2.02 115.64 114.17 3ix9 s THR 67 Ca 0.05 -0.18 0.23 0.00 -1.21 0.00 0.00 61.69 60.58 3ix9 s THR 67 Cb -0.14 -1.05 0.04 0.00 -1.51 0.00 0.00 72.50 69.84 3ix9 s THR 67 CO 0.03 -0.10 1.16 0.54 -2.21 0.00 0.00 174.62 174.03 3ix9 n ARG 68 N -0.32 1.27 -1.82 7.08 1.74 -1.26 -4.03 116.66 119.33 3ix9 n ARG 68 Ca -0.17 -1.03 -0.42 0.00 -0.77 0.00 0.00 57.85 55.46 3ix9 n ARG 68 Cb 0.65 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.58 3ix9 n ARG 68 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3ix9 s ASN 69 N -2.44 6.54 0.56 0.55 3.84 -1.26 -4.84 114.94 117.89 3ix9 s ASN 69 Ca 0.20 2.52 0.39 0.00 0.21 0.00 0.00 52.86 56.18 3ix9 s ASN 69 Cb 0.18 -2.54 1.52 0.00 -0.55 0.00 0.00 41.25 39.87 3ix9 s ASN 69 CO 0.54 -0.99 1.68 -0.65 -2.79 0.00 0.00 177.10 174.89 3ix9 h PRO 70 N 9.78 0.00 -5.76 0.43 0.11 -2.02 -3.43 132.00 131.10 3ix9 h PRO 70 Ca -0.45 0.00 -0.78 0.00 0.11 0.00 0.00 66.00 64.88 3ix9 h PRO 70 Cb 1.21 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.36 3ix9 h PRO 70 CO 0.94 0.00 0.22 -0.85 -0.21 0.00 0.00 178.00 178.10 3ix9 n GLU 71 N -3.93 0.00 0.22 1.05 0.28 -1.26 -4.83 120.64 112.17 3ix9 n GLU 71 Ca 0.30 0.00 0.14 0.00 -0.16 0.00 0.00 57.16 57.43 3ix9 n GLU 71 Cb 1.47 -1.44 0.37 0.00 1.43 0.00 0.00 31.44 33.27 3ix9 n GLU 71 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 3ix9 h GLU 72 N 3.40 0.00 -3.26 3.44 5.08 -1.98 -3.47 114.58 117.79 3ix9 h GLU 72 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3ix9 h GLU 72 Cb 1.36 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.55 3ix9 h GLU 72 CO 0.71 0.00 0.11 -1.59 -1.00 0.00 0.00 179.01 177.24 3ix9 s LYS 73 N -3.35 1.78 0.00 2.33 -2.85 -1.26 -4.55 119.74 111.83 3ix9 s LYS 73 Ca 0.05 -1.17 0.00 0.00 -1.00 0.00 0.00 55.97 53.86 3ix9 s LYS 73 Cb 0.07 0.56 0.00 0.00 -2.06 0.00 0.00 37.83 36.40 3ix9 s LYS 73 CO 0.61 -0.79 0.00 -0.89 0.10 0.00 0.00 175.35 174.38 3ix9 n ILE 74 N -0.45 0.00 0.00 3.79 5.41 -1.26 -5.01 119.36 121.84 3ix9 n ILE 74 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.71 3ix9 n ILE 74 Cb 0.60 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.53 3ix9 n ILE 74 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3ix9 n ASP 75 N 0.00 0.00 -2.09 4.38 10.43 -1.26 -4.87 116.55 123.14 3ix9 n ASP 75 Ca 0.00 0.00 -0.16 0.00 2.57 0.00 0.00 54.79 57.20 3ix9 n ASP 75 Cb 0.00 0.00 -0.09 0.00 1.84 0.00 0.00 41.12 42.87 3ix9 n ASP 75 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3ix9 n GLY 76 N 5.00 3.49 3.24 0.44 0.00 -1.26 -4.81 105.19 111.29 3ix9 n GLY 76 Ca 0.00 -1.28 -0.14 0.00 0.00 0.00 0.00 46.02 44.61 3ix9 n GLY 76 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ix9 s VAL 77 N -0.49 0.75 -0.11 1.61 -7.23 -1.26 -4.70 120.40 108.96 3ix9 s VAL 77 Ca 0.53 -1.99 -0.10 0.00 -1.81 0.00 0.00 61.98 58.61 3ix9 s VAL 77 Cb 0.30 -2.07 -0.05 0.00 0.56 0.00 0.00 36.38 35.12 3ix9 s VAL 77 CO -0.07 -0.52 0.22 0.00 -0.31 0.00 0.00 175.10 174.41 3ix9 s ALA 78 N -3.61 3.77 -0.13 1.32 0.00 -0.86 -4.44 121.76 117.81 3ix9 s ALA 78 Ca 0.22 -0.53 -0.05 0.00 0.00 0.00 0.00 51.96 51.60 3ix9 s ALA 78 Cb 0.06 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.99 3ix9 s ALA 78 CO 0.03 0.45 0.06 0.99 0.00 0.00 0.00 175.76 177.29 3ix9 s THR 79 N -0.62 4.80 0.02 0.00 2.01 -1.26 -0.84 115.64 119.74 3ix9 s THR 79 Ca 0.16 -0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.17 3ix9 s THR 79 Cb -0.13 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.26 3ix9 s THR 79 CO 0.05 0.55 -0.15 -0.36 -0.69 0.00 0.00 174.62 174.02 3ix9 s PHE 80 N -0.39 1.37 -1.82 4.92 0.08 -0.10 -4.96 117.98 117.07 3ix9 s PHE 80 Ca 0.09 -0.31 0.15 0.00 0.12 0.00 0.00 56.93 56.98 3ix9 s PHE 80 Cb -0.12 -0.84 0.11 0.00 -0.57 0.00 0.00 43.02 41.60 3ix9 s PHE 80 CO 0.02 0.02 0.96 0.72 -0.10 0.00 0.00 175.22 176.84 3ix9 n HIS 81 N 2.24 0.00 -3.67 0.36 8.25 -1.26 -1.58 115.22 119.56 3ix9 n HIS 81 Ca -0.16 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.23 3ix9 n HIS 81 Cb 0.55 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.64 3ix9 n HIS 81 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 3ix9 s ASP 82 N -1.30 -0.32 0.09 0.41 1.47 -1.26 -4.68 116.67 111.08 3ix9 s ASP 82 Ca 0.17 -0.31 -0.28 0.00 1.18 0.00 0.00 52.55 53.31 3ix9 s ASP 82 Cb 0.12 0.56 -0.13 0.00 -0.34 0.00 0.00 42.92 43.14 3ix9 s ASP 82 CO 0.21 -1.00 1.65 0.58 0.68 0.00 0.00 175.17 177.29 3ix9 h VAL 83 N 2.00 0.50 -0.99 2.11 2.07 -1.97 -2.88 116.25 117.10 3ix9 h VAL 83 Ca -0.24 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.50 3ix9 h VAL 83 Cb 1.25 0.50 -0.09 0.00 -1.52 0.00 0.00 31.29 31.43 3ix9 h VAL 83 CO 0.28 0.00 0.63 -0.61 0.02 0.00 0.00 177.57 177.89 3ix9 h GLN 84 N -0.54 0.53 -0.75 1.57 5.75 -1.99 -0.63 115.11 119.05 3ix9 h GLN 84 Ca -0.02 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.46 3ix9 h GLN 84 Cb 0.48 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.87 3ix9 h GLN 84 CO -0.02 0.35 0.49 1.03 -2.65 0.00 0.00 178.83 178.03 3ix9 h SER 85 N 0.55 0.86 -0.17 -0.69 0.87 -1.92 -0.96 113.55 112.08 3ix9 h SER 85 Ca 0.56 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 61.07 3ix9 h SER 85 Cb 1.17 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.91 3ix9 h SER 85 CO -0.30 0.62 0.02 0.58 -0.53 0.00 0.00 176.83 177.23 3ix9 h VAL 86 N 1.01 1.23 -0.92 2.23 2.07 -1.12 -1.82 116.25 118.93 3ix9 h VAL 86 Ca 0.27 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 67.10 3ix9 h VAL 86 Cb -0.11 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 3ix9 h VAL 86 CO -0.06 0.22 0.60 -0.07 0.02 0.00 0.00 177.57 178.29 3ix9 h LEU 87 N 0.06 0.99 -0.38 2.57 3.38 -1.12 0.99 115.31 121.79 3ix9 h LEU 87 Ca 0.05 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3ix9 h LEU 87 Cb 0.32 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3ix9 h LEU 87 CO 0.00 0.67 -0.07 0.44 0.09 0.00 0.00 178.44 179.57 3ix9 h ASP 88 N 1.14 0.72 -0.22 -0.43 3.32 -1.04 0.35 116.42 120.26 3ix9 h ASP 88 Ca 0.37 -0.35 0.01 0.00 0.02 0.00 0.00 57.03 57.08 3ix9 h ASP 88 Cb 0.05 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3ix9 h ASP 88 CO -0.12 0.90 0.13 -0.25 -1.72 0.00 0.00 179.24 178.18 3ix9 h TRP 89 N 0.53 0.24 -0.88 4.55 7.01 -0.76 -2.19 115.95 124.45 3ix9 h TRP 89 Ca 0.10 0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.19 3ix9 h TRP 89 Cb 0.57 -0.08 -0.07 0.00 -2.10 0.00 0.00 29.16 27.48 3ix9 h TRP 89 CO 0.05 0.15 0.53 -0.92 -2.79 0.00 0.00 178.44 175.46 3ix9 h TYR 90 N 0.27 0.98 -0.02 2.65 3.20 -0.52 -2.02 116.97 121.50 3ix9 h TYR 90 Ca 0.09 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 3ix9 h TYR 90 Cb -0.01 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 37.95 3ix9 h TYR 90 CO -0.08 0.44 -0.29 0.77 -1.64 0.00 0.00 178.16 177.36 3ix9 h SER 91 N 0.92 0.04 -0.06 -2.11 0.02 -0.43 -2.96 113.55 108.96 3ix9 h SER 91 Ca 0.41 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 3ix9 h SER 91 Cb 0.31 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.84 3ix9 h SER 91 CO -0.22 0.33 0.00 0.00 -1.14 0.00 0.00 176.83 175.80 3ix9 n ALA 92 N -2.48 2.57 -2.34 3.77 0.00 -0.77 -4.88 120.51 116.39 3ix9 n ALA 92 Ca -0.02 -0.27 -0.20 0.00 0.00 0.00 0.00 53.44 52.95 3ix9 n ALA 92 Cb 0.35 -1.21 -0.08 0.00 0.00 0.00 0.00 19.45 18.50 3ix9 n ALA 92 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3ix9 s GLN 93 N -1.92 1.74 0.00 0.00 1.03 -1.12 -5.09 119.66 114.30 3ix9 s GLN 93 Ca 0.29 -2.02 0.09 0.00 0.04 0.00 0.00 55.36 53.76 3ix9 s GLN 93 Cb 0.14 0.06 0.03 0.00 0.03 0.00 0.00 33.01 33.26 3ix9 s GLN 93 CO 0.23 -0.57 0.66 0.39 -2.54 0.00 0.00 175.29 173.46 3ix9 n GLU 94 N -0.66 1.44 -2.73 9.60 4.71 -1.26 -4.97 120.64 126.77 3ix9 n GLU 94 Ca 0.03 -0.74 -0.31 0.00 -0.01 0.00 0.00 57.16 56.13 3ix9 n GLU 94 Cb 0.63 -1.09 -0.03 0.00 -1.01 0.00 0.00 31.44 29.94 3ix9 n GLU 94 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3ix9 s LYS 95 N -1.05 3.85 0.55 3.49 1.02 -1.26 -4.77 119.74 121.57 3ix9 s LYS 95 Ca 0.08 0.64 -0.20 0.00 0.02 0.00 0.00 55.97 56.51 3ix9 s LYS 95 Cb 0.07 -2.31 -0.05 0.00 -0.52 0.00 0.00 37.83 35.02 3ix9 s LYS 95 CO 0.18 -0.10 1.16 -0.80 -0.92 0.00 0.00 175.35 174.87 3ix9 s ASN 96 N -3.07 5.62 -0.19 2.83 0.01 -1.26 -4.74 114.94 114.14 3ix9 s ASN 96 Ca 0.54 2.28 -0.03 0.00 -0.71 0.00 0.00 52.86 54.94 3ix9 s ASN 96 Cb -0.10 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 38.96 3ix9 s ASN 96 CO 0.30 -1.29 -0.07 -0.22 -1.51 0.00 0.00 177.10 174.31 3ix9 s LEU 97 N -3.75 2.86 -0.27 0.60 2.96 -0.73 -3.34 118.68 117.01 3ix9 s LEU 97 Ca 0.73 -0.36 -0.09 0.00 -0.22 0.00 0.00 54.13 54.18 3ix9 s LEU 97 Cb -0.27 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 3ix9 s LEU 97 CO 0.30 0.04 0.14 -0.31 -1.32 0.00 0.00 176.35 175.20 3ix9 s TYR 98 N 1.11 3.16 -0.39 5.38 2.02 -0.64 -0.45 117.35 127.54 3ix9 s TYR 98 Ca 0.01 -0.13 -0.24 0.00 -0.37 0.00 0.00 57.07 56.34 3ix9 s TYR 98 Cb -0.15 -2.32 0.02 0.00 -0.40 0.00 0.00 41.96 39.11 3ix9 s TYR 98 CO -0.01 -0.25 0.85 0.42 -1.57 0.00 0.00 175.55 174.98 3ix9 s ILE 99 N 1.70 4.63 -1.52 2.71 -1.09 0.41 -0.45 121.20 127.60 3ix9 s ILE 99 Ca 0.07 0.89 0.13 0.00 -2.23 0.00 0.00 60.65 59.51 3ix9 s ILE 99 Cb -0.16 -4.30 0.07 0.00 -1.58 0.00 0.00 42.46 36.49 3ix9 s ILE 99 CO 0.08 -0.57 0.86 1.33 -1.23 0.00 0.00 174.94 175.41 3ix9 n VAL 100 N 6.00 0.00 0.00 2.92 0.24 -0.41 -2.19 118.33 124.89 3ix9 n VAL 100 Ca 0.05 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 3ix9 n VAL 100 Cb 0.48 1.24 0.00 0.00 -1.47 0.00 0.00 33.84 34.09 3ix9 n VAL 100 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ix9 n GLY 101 N 0.85 2.74 0.00 7.63 0.00 -1.25 -4.87 105.19 110.29 3ix9 n GLY 101 Ca 0.07 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.19 3ix9 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ix9 n GLY 102 N -0.91 1.48 0.25 -0.02 0.00 -1.26 -2.65 105.19 102.08 3ix9 n GLY 102 Ca 0.00 -1.30 0.03 0.00 0.00 0.00 0.00 46.02 44.75 3ix9 n GLY 102 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ix9 h LYS 103 N 0.00 0.29 -0.81 1.61 3.64 -1.99 -1.08 116.57 118.24 3ix9 h LYS 103 Ca 0.00 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3ix9 h LYS 103 Cb 0.00 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 3ix9 h LYS 103 CO 0.00 0.19 0.38 1.96 -2.27 0.00 0.00 179.45 179.72 3ix9 h GLN 104 N 0.30 1.17 -0.36 1.90 4.20 -1.96 -1.36 115.11 119.01 3ix9 h GLN 104 Ca 0.37 -0.17 -0.16 0.00 0.06 0.00 0.00 58.65 58.75 3ix9 h GLN 104 Cb 0.58 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 3ix9 h GLN 104 CO -0.44 0.90 -0.39 0.82 -0.67 0.00 0.00 178.83 179.05 3ix9 h ILE 105 N 1.16 1.28 -0.17 2.54 5.03 -1.59 -1.26 117.51 124.49 3ix9 h ILE 105 Ca 0.28 -1.57 -0.01 0.00 -0.12 0.00 0.00 64.86 63.45 3ix9 h ILE 105 Cb 0.12 1.41 -0.01 0.00 -3.03 0.00 0.00 36.82 35.32 3ix9 h ILE 105 CO -0.03 0.52 0.08 -0.26 -0.68 0.00 0.00 178.15 177.78 3ix9 h PHE 106 N 0.71 0.25 -0.67 1.37 0.04 -1.04 -2.31 116.94 115.29 3ix9 h PHE 106 Ca 0.06 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.83 3ix9 h PHE 106 Cb 0.97 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 39.01 3ix9 h PHE 106 CO 0.06 0.27 0.44 0.37 -0.60 0.00 0.00 178.31 178.85 3ix9 h GLN 107 N 0.15 0.86 -0.46 1.51 4.15 -1.14 -2.26 115.11 117.92 3ix9 h GLN 107 Ca 0.06 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 3ix9 h GLN 107 Cb 0.12 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 3ix9 h GLN 107 CO -0.01 0.57 0.19 0.00 -1.93 0.00 0.00 178.83 177.65 3ix9 h ALA 108 N 1.26 1.48 -0.07 3.38 0.00 -1.00 -3.07 119.26 121.24 3ix9 h ALA 108 Ca 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3ix9 h ALA 108 Cb -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3ix9 h ALA 108 CO -0.07 0.40 0.00 1.19 0.00 0.00 0.00 179.25 180.78 3ix9 n PHE 109 N -4.37 0.06 -0.30 0.00 3.72 -0.89 -4.54 117.46 111.14 3ix9 n PHE 109 Ca 0.03 -0.03 0.11 0.00 -0.05 0.00 0.00 57.45 57.52 3ix9 n PHE 109 Cb 0.14 0.00 0.35 0.00 -0.94 0.00 0.00 39.48 39.03 3ix9 n PHE 109 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3ix9 h GLU 110 N 4.47 0.73 0.00 -1.08 5.08 -1.31 -1.44 114.58 121.03 3ix9 h GLU 110 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3ix9 h GLU 110 Cb 0.95 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3ix9 h GLU 110 CO 0.00 0.49 0.00 -2.30 -1.00 0.00 0.00 179.01 176.20 3ix9 n PRO 111 N -4.59 0.14 -0.08 2.33 -0.02 -1.26 -2.82 135.00 128.69 3ix9 n PRO 111 Ca 0.18 0.40 0.05 0.00 -2.02 0.00 0.00 63.50 62.11 3ix9 n PRO 111 Cb 0.46 -1.77 0.09 0.00 -0.02 0.00 0.00 33.50 32.26 3ix9 n PRO 111 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3ix9 n TYR 112 N -2.03 0.21 -2.28 6.00 4.01 -0.56 -5.02 117.16 117.49 3ix9 n TYR 112 Ca 0.02 -0.25 -0.41 0.00 -0.16 0.00 0.00 57.90 57.10 3ix9 n TYR 112 Cb 0.20 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.18 3ix9 n TYR 112 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3ix9 s LEU 113 N -0.91 4.44 -0.11 7.72 1.43 -1.13 -4.65 118.68 125.46 3ix9 s LEU 113 Ca 0.16 2.37 0.17 0.00 -1.03 0.00 0.00 54.13 55.80 3ix9 s LEU 113 Cb 0.10 -3.61 -0.24 0.00 0.03 0.00 0.00 46.19 42.46 3ix9 s LEU 113 CO 0.13 -0.45 0.35 0.47 0.23 0.00 0.00 176.35 177.09 3ix9 n ASP 114 N 2.26 0.31 -3.58 2.29 8.00 0.11 -4.86 116.55 121.07 3ix9 n ASP 114 Ca 0.04 0.14 -0.12 0.00 0.71 0.00 0.00 54.79 55.56 3ix9 n ASP 114 Cb 0.43 0.76 -0.05 0.00 -0.02 0.00 0.00 41.12 42.25 3ix9 n ASP 114 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3ix9 s GLU 115 N -2.69 1.06 0.02 -1.24 2.12 -1.11 -1.61 118.70 115.26 3ix9 s GLU 115 Ca -0.08 -0.43 0.05 0.00 0.36 0.00 0.00 54.97 54.88 3ix9 s GLU 115 Cb 0.08 0.48 -0.02 0.00 0.26 0.00 0.00 34.13 34.93 3ix9 s GLU 115 CO 0.84 -0.40 -0.16 0.14 -0.54 0.00 0.00 175.26 175.13 3ix9 s VAL 116 N -3.04 1.25 -0.33 3.70 -7.23 0.12 -1.08 120.40 113.80 3ix9 s VAL 116 Ca -0.02 -0.92 0.01 0.00 -1.81 0.00 0.00 61.98 59.24 3ix9 s VAL 116 Cb 0.00 -1.09 0.10 0.00 0.56 0.00 0.00 36.38 35.95 3ix9 s VAL 116 CO -0.06 0.16 0.09 -0.63 -0.31 0.00 0.00 175.10 174.34 3ix9 s ILE 117 N -0.67 1.52 -0.19 -0.62 1.01 0.38 -1.07 121.20 121.55 3ix9 s ILE 117 Ca 0.04 -1.90 -0.05 0.00 0.00 0.00 0.00 60.65 58.75 3ix9 s ILE 117 Cb -0.07 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 3ix9 s ILE 117 CO 0.01 -0.66 -0.00 -0.69 0.00 0.00 0.00 174.94 173.59 3ix9 s VAL 118 N 1.21 3.99 -0.21 2.92 1.01 -0.38 -2.32 120.40 126.63 3ix9 s VAL 118 Ca 0.11 -0.31 -0.15 0.00 0.00 0.00 0.00 61.98 61.64 3ix9 s VAL 118 Cb -0.19 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 3ix9 s VAL 118 CO -0.16 0.44 0.34 -0.89 0.00 0.00 0.00 175.10 174.83 3ix9 s THR 119 N 0.81 5.24 -0.55 3.92 2.01 -0.09 -0.59 115.64 126.39 3ix9 s THR 119 Ca 0.00 0.58 -0.14 0.00 0.31 0.00 0.00 61.69 62.44 3ix9 s THR 119 Cb -0.14 -3.67 0.13 0.00 0.01 0.00 0.00 72.50 68.83 3ix9 s THR 119 CO 0.02 0.28 0.48 -1.00 -0.69 0.00 0.00 174.62 173.72 3ix9 s HIS 120 N 1.19 3.33 -0.25 4.92 3.76 0.23 -1.75 115.29 126.72 3ix9 s HIS 120 Ca 0.16 -1.49 -0.29 0.00 -0.15 0.00 0.00 55.06 53.29 3ix9 s HIS 120 Cb -0.14 -3.73 0.01 0.00 1.11 0.00 0.00 32.58 29.83 3ix9 s HIS 120 CO 0.07 -1.01 1.09 0.42 -0.85 0.00 0.00 174.74 174.46 3ix9 s ILE 121 N 1.42 4.56 -1.37 0.60 1.01 -0.17 -1.59 121.20 125.66 3ix9 s ILE 121 Ca 0.05 1.85 -0.16 0.00 0.00 0.00 0.00 60.65 62.40 3ix9 s ILE 121 Cb -0.28 -4.30 0.06 0.00 0.01 0.00 0.00 42.46 37.96 3ix9 s ILE 121 CO 0.01 -0.28 1.97 1.41 0.00 0.00 0.00 174.94 178.05 3ix9 n HIS 122 N 6.58 4.08 -3.64 3.97 8.25 0.29 -3.02 115.22 131.72 3ix9 n HIS 122 Ca 0.12 -2.92 -0.07 0.00 -0.26 0.00 0.00 57.72 54.59 3ix9 n HIS 122 Cb 0.46 -2.56 -0.02 0.00 1.12 0.00 0.00 29.99 28.99 3ix9 n HIS 122 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ix9 s ALA 123 N 3.50 -1.63 -0.18 -1.41 0.00 -1.26 -4.50 121.76 116.28 3ix9 s ALA 123 Ca 0.50 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.86 3ix9 s ALA 123 Cb 0.09 0.65 0.03 0.00 0.00 0.00 0.00 23.12 23.88 3ix9 s ALA 123 CO -0.01 -0.89 -0.16 1.03 0.00 0.00 0.00 175.76 175.74 3ix9 s ARG 124 N -3.41 2.58 0.37 0.00 0.52 -1.26 -1.87 118.95 115.87 3ix9 s ARG 124 Ca 0.08 -0.82 0.05 0.00 -0.52 0.00 0.00 55.73 54.53 3ix9 s ARG 124 Cb -0.02 -2.46 -0.07 0.00 0.52 0.00 0.00 34.95 32.92 3ix9 s ARG 124 CO -0.03 -0.29 0.03 0.14 0.02 0.00 0.00 175.30 175.18 3ix9 s VAL 125 N 1.34 1.58 -0.21 3.52 -7.23 -1.26 -5.08 120.40 113.06 3ix9 s VAL 125 Ca 0.03 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 57.97 3ix9 s VAL 125 Cb -0.14 -2.89 -0.02 0.00 0.56 0.00 0.00 36.38 33.89 3ix9 s VAL 125 CO -0.11 0.00 0.71 -0.70 -0.31 0.00 0.00 175.10 174.69 3ix9 s GLU 126 N -3.80 4.20 0.16 4.82 2.12 -1.26 -4.97 118.70 119.97 3ix9 s GLU 126 Ca 0.36 0.75 0.06 0.00 0.36 0.00 0.00 54.97 56.50 3ix9 s GLU 126 Cb 0.09 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 3ix9 s GLU 126 CO 0.17 -0.36 -0.13 0.20 -0.54 0.00 0.00 175.26 174.60 3ix9 s GLY 127 N 1.28 1.21 0.00 -1.50 0.00 -1.26 -4.75 107.32 102.31 3ix9 s GLY 127 Ca 0.31 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.55 3ix9 s GLY 127 CO 0.10 -1.57 0.48 2.09 0.00 0.00 0.00 173.10 174.20 3ix9 n ASP 128 N -0.01 0.96 -3.82 1.64 5.68 0.02 -4.97 116.55 116.05 3ix9 n ASP 128 Ca -0.11 -1.01 -0.20 0.00 -0.50 0.00 0.00 54.79 52.97 3ix9 n ASP 128 Cb 0.59 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.41 3ix9 n ASP 128 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3ix9 s THR 129 N -0.01 0.32 0.13 2.12 2.01 -1.06 -4.99 115.64 114.15 3ix9 s THR 129 Ca 0.00 0.05 0.09 0.00 0.31 0.00 0.00 61.69 62.14 3ix9 s THR 129 Cb 0.00 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 72.05 3ix9 s THR 129 CO 0.00 0.20 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.66 3ix9 s TYR 130 N 1.29 2.57 0.22 4.92 2.02 -1.26 -0.76 117.35 126.35 3ix9 s TYR 130 Ca -0.06 -0.25 -0.31 0.00 -0.37 0.00 0.00 57.07 56.09 3ix9 s TYR 130 Cb -0.13 -1.34 -0.10 0.00 -0.40 0.00 0.00 41.96 39.98 3ix9 s TYR 130 CO -0.02 0.41 1.55 0.12 -1.57 0.00 0.00 175.55 176.05 3ix9 s PHE 131 N -1.25 2.98 -0.86 2.71 5.36 -0.39 -4.86 117.98 121.67 3ix9 s PHE 131 Ca 0.19 0.74 -0.25 0.00 -0.96 0.00 0.00 56.93 56.65 3ix9 s PHE 131 Cb -0.10 -3.95 0.01 0.00 -0.34 0.00 0.00 43.02 38.64 3ix9 s PHE 131 CO 0.11 -3.34 1.63 -1.25 -1.46 0.00 0.00 175.22 170.91 3ix9 s PRO 132 N 0.42 3.05 -1.25 10.12 0.04 -1.26 -4.90 135.00 141.23 3ix9 s PRO 132 Ca 0.66 -0.42 -0.12 0.00 0.04 0.00 0.00 61.00 61.16 3ix9 s PRO 132 Cb -0.45 -4.88 0.16 0.00 0.04 0.00 0.00 34.50 29.38 3ix9 s PRO 132 CO 0.38 -2.62 1.65 0.00 0.04 0.00 0.00 177.00 176.45 3ix9 n ALA 133 N 11.09 4.51 -1.52 8.56 0.00 -1.26 -4.64 120.51 137.25 3ix9 n ALA 133 Ca 0.27 -4.25 -0.09 0.00 0.00 0.00 0.00 53.44 49.37 3ix9 n ALA 133 Cb 0.50 -3.06 0.17 0.00 0.00 0.00 0.00 19.45 17.06 3ix9 n ALA 133 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ix9 n GLU 134 N 5.05 2.07 -3.68 0.00 4.71 -1.26 -5.00 120.64 122.53 3ix9 n GLU 134 Ca 0.39 -3.31 -0.37 0.00 -0.01 0.00 0.00 57.16 53.86 3ix9 n GLU 134 Cb 0.40 -1.90 -0.06 0.00 -1.01 0.00 0.00 31.44 28.87 3ix9 n GLU 134 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3ix9 s PHE 135 N -3.33 3.59 -1.05 -0.32 0.08 -1.26 -5.00 117.98 110.69 3ix9 s PHE 135 Ca 0.47 0.67 -0.20 0.00 0.12 0.00 0.00 56.93 57.98 3ix9 s PHE 135 Cb 0.42 -2.15 0.09 0.00 -0.57 0.00 0.00 43.02 40.80 3ix9 s PHE 135 CO -0.00 0.56 1.40 0.34 -0.10 0.00 0.00 175.22 177.42 3ix9 s ASP 136 N -0.60 6.63 0.42 1.36 -1.08 -1.26 -4.81 116.67 117.32 3ix9 s ASP 136 Ca 0.17 -1.88 0.26 0.00 -0.52 0.00 0.00 52.55 50.58 3ix9 s ASP 136 Cb -0.14 -2.51 1.32 0.00 -1.46 0.00 0.00 42.92 40.14 3ix9 s ASP 136 CO 0.06 -1.28 1.66 -0.07 0.52 0.00 0.00 175.17 176.06 3ix9 h LEU 137 N 11.84 0.31 -1.75 -1.34 3.38 -1.95 0.62 115.31 126.44 3ix9 h LEU 137 Ca 0.23 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3ix9 h LEU 137 Cb 0.98 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3ix9 h LEU 137 CO 1.33 -0.13 0.32 -1.28 0.09 0.00 0.00 178.44 178.77 3ix9 h SER 138 N 0.17 0.00 1.69 -0.43 0.87 -2.04 -0.07 113.55 113.74 3ix9 h SER 138 Ca 0.76 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.32 3ix9 h SER 138 Cb 2.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.20 3ix9 h SER 138 CO -0.42 0.00 0.00 -0.07 -0.53 0.00 0.00 176.83 175.81 3ix9 h LEU 139 N 0.00 0.00 -9.41 2.23 4.07 -0.14 -3.46 115.31 108.60 3ix9 h LEU 139 Ca 0.00 0.00 -0.61 0.00 0.08 0.00 0.00 57.88 57.35 3ix9 h LEU 139 Cb 0.65 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 42.26 3ix9 h LEU 139 CO 0.00 0.00 -0.69 -0.36 -1.08 0.00 0.00 178.44 176.31 3ix9 s PHE 140 N -3.24 2.71 -0.06 1.13 0.08 -0.04 -0.81 117.98 117.75 3ix9 s PHE 140 Ca 0.07 -0.19 0.03 0.00 0.12 0.00 0.00 56.93 56.96 3ix9 s PHE 140 Cb 0.08 -1.31 0.00 0.00 -0.57 0.00 0.00 43.02 41.22 3ix9 s PHE 140 CO 0.62 0.53 -0.15 -1.83 -0.10 0.00 0.00 175.22 174.29 3ix9 s GLU 141 N -2.97 1.87 -0.30 0.44 -1.05 0.12 -4.82 118.70 111.98 3ix9 s GLU 141 Ca 0.27 -0.54 -0.29 0.00 -0.15 0.00 0.00 54.97 54.26 3ix9 s GLU 141 Cb -0.09 -1.55 -0.00 0.00 -0.44 0.00 0.00 34.13 32.05 3ix9 s GLU 141 CO 0.17 0.13 1.36 0.99 0.95 0.00 0.00 175.26 178.86 3ix9 s THR 142 N 0.37 4.05 0.10 1.83 2.01 -1.26 -0.93 115.64 121.81 3ix9 s THR 142 Ca -0.11 1.18 0.03 0.00 0.31 0.00 0.00 61.69 63.10 3ix9 s THR 142 Cb -0.14 -4.10 -0.24 0.00 0.01 0.00 0.00 72.50 68.03 3ix9 s THR 142 CO 0.04 -0.48 1.20 -0.37 -0.69 0.00 0.00 174.62 174.32 3ix9 h VAL 143 N 6.04 1.60 0.00 3.82 -1.51 -0.83 -3.49 116.25 121.88 3ix9 h VAL 143 Ca -0.27 -3.26 0.00 0.00 -1.23 0.00 0.00 66.70 61.93 3ix9 h VAL 143 Cb 1.11 2.86 0.00 0.00 -2.13 0.00 0.00 31.29 33.13 3ix9 h VAL 143 CO 1.03 0.93 0.00 -1.54 -1.23 0.00 0.00 177.57 176.76 3ix9 n SER 144 N -3.40 0.00 -3.69 4.19 3.41 -1.13 -5.03 113.62 107.97 3ix9 n SER 144 Ca -0.04 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.43 3ix9 n SER 144 Cb 0.97 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.84 3ix9 n SER 144 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3ix9 s SER 145 N 0.00 -0.48 0.10 4.04 1.04 -1.26 0.22 113.70 117.36 3ix9 s SER 145 Ca 0.00 0.83 0.09 0.00 0.48 0.00 0.00 55.95 57.35 3ix9 s SER 145 Cb 0.00 0.86 -0.04 0.00 0.10 0.00 0.00 66.02 66.94 3ix9 s SER 145 CO 0.00 -0.26 -0.23 -1.59 0.98 0.00 0.00 173.24 172.14 3ix9 s LYS 146 N -0.14 1.26 -0.07 4.02 -2.85 -0.58 -4.94 119.74 116.45 3ix9 s LYS 146 Ca -0.03 -1.20 -0.05 0.00 -1.00 0.00 0.00 55.97 53.70 3ix9 s LYS 146 Cb -0.03 -1.58 -0.04 0.00 -2.06 0.00 0.00 37.83 34.12 3ix9 s LYS 146 CO 0.02 0.37 0.15 0.12 0.10 0.00 0.00 175.35 176.11 3ix9 s PHE 147 N -1.08 3.54 -0.26 1.78 5.36 -1.26 -1.11 117.98 124.94 3ix9 s PHE 147 Ca 0.09 0.42 0.01 0.00 -0.96 0.00 0.00 56.93 56.50 3ix9 s PHE 147 Cb -0.10 -1.87 0.07 0.00 -0.34 0.00 0.00 43.02 40.78 3ix9 s PHE 147 CO 0.04 0.68 -0.04 0.71 -1.46 0.00 0.00 175.22 175.15 3ix9 s TYR 148 N -1.16 2.68 0.36 10.12 2.02 0.01 -5.01 117.35 126.37 3ix9 s TYR 148 Ca 0.21 -2.02 -0.27 0.00 -0.37 0.00 0.00 57.07 54.61 3ix9 s TYR 148 Cb -0.12 -1.83 -0.09 0.00 -0.40 0.00 0.00 41.96 39.51 3ix9 s TYR 148 CO 0.11 -0.82 1.21 -0.08 -1.57 0.00 0.00 175.55 174.40 3ix9 s THR 149 N 1.29 3.02 0.61 -0.71 -1.32 -1.26 -2.49 115.64 114.77 3ix9 s THR 149 Ca -0.03 0.95 -0.18 0.00 -1.21 0.00 0.00 61.69 61.22 3ix9 s THR 149 Cb -0.19 -3.57 -0.03 0.00 -1.51 0.00 0.00 72.50 67.20 3ix9 s THR 149 CO -0.08 0.17 1.17 -1.59 -2.21 0.00 0.00 174.62 172.08 3ix9 s LYS 150 N -1.97 2.96 0.21 7.08 -2.85 -1.26 -4.92 119.74 118.99 3ix9 s LYS 150 Ca 0.52 1.68 -0.00 0.00 -1.00 0.00 0.00 55.97 57.17 3ix9 s LYS 150 Cb -0.35 -1.94 0.00 0.00 -2.06 0.00 0.00 37.83 33.48 3ix9 s LYS 150 CO 0.45 -1.18 0.27 -0.40 0.10 0.00 0.00 175.35 174.59 3ix9 n ASP 151 N -1.77 -0.74 -0.17 0.03 5.68 -0.61 -4.99 116.55 113.97 3ix9 n ASP 151 Ca 0.12 -2.17 -0.05 0.00 -0.50 0.00 0.00 54.79 52.20 3ix9 n ASP 151 Cb 0.50 1.42 0.01 0.00 -1.14 0.00 0.00 41.12 41.92 3ix9 n ASP 151 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3ix9 h GLU 152 N 0.00 -0.16 0.00 0.11 4.57 -1.98 -2.20 114.58 114.92 3ix9 h GLU 152 Ca -0.16 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 3ix9 h GLU 152 Cb 0.71 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 3ix9 h GLU 152 CO 0.22 -0.11 -0.09 1.63 -1.18 0.00 0.00 179.01 179.48 3ix9 n LYS 153 N -5.43 0.27 -3.58 1.92 5.02 -1.26 -4.31 118.16 110.80 3ix9 n LYS 153 Ca 0.04 0.20 -0.27 0.00 -2.02 0.00 0.00 58.31 56.26 3ix9 n LYS 153 Cb 0.34 -1.80 -0.10 0.00 -0.02 0.00 0.00 35.03 33.45 3ix9 n LYS 153 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ix9 n ASN 154 N -2.27 1.24 0.00 4.39 3.02 -0.84 -4.39 115.26 116.41 3ix9 n ASN 154 Ca 0.05 -2.80 0.00 0.00 -0.03 0.00 0.00 54.58 51.80 3ix9 n ASN 154 Cb 0.43 -0.65 0.01 0.00 -0.61 0.00 0.00 39.78 38.97 3ix9 n ASN 154 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3ix9 n PRO 155 N 2.24 0.00 -5.03 3.52 -0.04 -1.12 -1.57 135.00 133.00 3ix9 n PRO 155 Ca 0.25 0.39 -0.27 0.00 -0.04 0.00 0.00 63.50 63.83 3ix9 n PRO 155 Cb 0.43 -1.62 -0.16 0.00 -0.04 0.00 0.00 33.50 32.11 3ix9 n PRO 155 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3ix9 s TYR 156 N -2.79 1.88 0.53 0.54 2.02 -1.26 -4.87 117.35 113.41 3ix9 s TYR 156 Ca -0.00 -0.35 -0.18 0.00 -0.37 0.00 0.00 57.07 56.16 3ix9 s TYR 156 Cb 0.00 -1.21 -0.06 0.00 -0.40 0.00 0.00 41.96 40.29 3ix9 s TYR 156 CO 0.00 -0.03 1.05 -0.51 -1.57 0.00 0.00 175.55 174.49 3ix9 s ASP 157 N -0.49 6.08 -0.00 2.29 1.01 -1.26 -4.39 116.67 119.89 3ix9 s ASP 157 Ca 0.08 1.89 -0.17 0.00 0.71 0.00 0.00 52.55 55.06 3ix9 s ASP 157 Cb -0.08 -2.55 0.03 0.00 1.01 0.00 0.00 42.92 41.33 3ix9 s ASP 157 CO -0.01 -0.96 0.37 0.72 0.21 0.00 0.00 175.17 175.49 3ix9 s PHE 158 N -2.18 -0.24 -0.06 4.23 -0.12 -1.04 -0.55 117.98 118.03 3ix9 s PHE 158 Ca 0.66 0.32 0.06 0.00 -0.05 0.00 0.00 56.93 57.92 3ix9 s PHE 158 Cb -0.17 0.15 -0.01 0.00 -0.63 0.00 0.00 43.02 42.37 3ix9 s PHE 158 CO 0.28 -0.46 -0.24 0.99 -0.05 0.00 0.00 175.22 175.74 3ix9 s THR 159 N -1.64 2.00 -0.27 -4.49 2.01 -0.62 -0.81 115.64 111.82 3ix9 s THR 159 Ca -0.11 -1.03 -0.08 0.00 0.31 0.00 0.00 61.69 60.78 3ix9 s THR 159 Cb -0.03 -1.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.76 3ix9 s THR 159 CO 0.03 0.56 0.09 -0.63 -0.69 0.00 0.00 174.62 173.98 3ix9 s ILE 160 N -0.11 4.32 -0.16 1.82 1.01 -0.27 0.78 121.20 128.60 3ix9 s ILE 160 Ca -0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 60.65 60.28 3ix9 s ILE 160 Cb -0.14 -3.09 -0.02 0.00 0.01 0.00 0.00 42.46 39.22 3ix9 s ILE 160 CO 0.04 0.24 -0.08 -1.10 0.00 0.00 0.00 174.94 174.04 3ix9 s GLN 161 N 1.60 3.51 -0.27 2.79 -0.21 0.24 -1.53 119.66 125.78 3ix9 s GLN 161 Ca 0.05 -0.60 -0.11 0.00 0.02 0.00 0.00 55.36 54.72 3ix9 s GLN 161 Cb -0.16 -2.81 -0.05 0.00 1.00 0.00 0.00 33.01 30.99 3ix9 s GLN 161 CO 0.04 0.16 0.17 0.71 -2.12 0.00 0.00 175.29 174.25 3ix9 s TYR 162 N 0.53 3.23 -0.06 0.91 1.51 0.13 -1.24 117.35 122.36 3ix9 s TYR 162 Ca -0.05 0.09 0.03 0.00 -1.01 0.00 0.00 57.07 56.13 3ix9 s TYR 162 Cb -0.15 -2.34 0.01 0.00 -0.11 0.00 0.00 41.96 39.37 3ix9 s TYR 162 CO 0.03 -0.13 -0.14 1.03 -1.11 0.00 0.00 175.55 175.23 3ix9 s ARG 163 N 1.59 1.76 0.15 -0.62 0.52 -0.24 -0.05 118.95 122.06 3ix9 s ARG 163 Ca 0.07 -0.49 0.07 0.00 -0.52 0.00 0.00 55.73 54.86 3ix9 s ARG 163 Cb -0.15 -1.47 -0.04 0.00 0.52 0.00 0.00 34.95 33.81 3ix9 s ARG 163 CO 0.09 0.10 -0.03 0.15 0.02 0.00 0.00 175.30 175.63 3ix9 s LYS 164 N 0.43 2.34 -0.08 3.54 1.02 -0.10 -0.70 119.74 126.19 3ix9 s LYS 164 Ca -0.11 -1.06 -0.30 0.00 0.02 0.00 0.00 55.97 54.52 3ix9 s LYS 164 Cb -0.14 -2.36 -0.03 0.00 -0.52 0.00 0.00 37.83 34.77 3ix9 s LYS 164 CO 0.03 0.48 1.31 0.50 -0.92 0.00 0.00 175.35 176.75 3ix9 s ARG 165 N -2.68 4.28 0.00 1.68 3.52 -0.63 0.13 118.95 125.24 3ix9 s ARG 165 Ca 0.26 1.79 0.00 0.00 -0.13 0.00 0.00 55.73 57.64 3ix9 s ARG 165 Cb -0.10 -3.67 0.00 0.00 -1.56 0.00 0.00 34.95 29.62 3ix9 s ARG 165 CO 0.17 -0.60 0.00 0.36 -0.81 0.00 0.00 175.30 174.42 3ix9 n LYS 166 N 5.90 -0.01 -0.30 5.12 2.85 0.01 -4.90 118.16 126.83 3ix9 n LYS 166 Ca 0.13 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.39 3ix9 n LYS 166 Cb 0.45 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.83 3ix9 n LYS 166 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74