#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ix9 s LYS 3 N 0.00 4.54 0.17 1.09 2.20 -1.26 -4.95 119.74 121.52 3ix9 s LYS 3 Ca 0.00 1.94 -0.18 0.00 -0.36 0.00 0.00 55.97 57.36 3ix9 s LYS 3 Cb 0.00 -3.16 0.04 0.00 -1.51 0.00 0.00 37.83 33.20 3ix9 s LYS 3 CO 0.00 0.05 0.51 -1.59 -0.36 0.00 0.00 175.35 173.96 3ix9 s LYS 4 N -1.36 1.28 -0.23 4.03 -2.85 -1.26 -5.04 119.74 114.30 3ix9 s LYS 4 Ca 0.47 -0.74 -0.07 0.00 -1.00 0.00 0.00 55.97 54.63 3ix9 s LYS 4 Cb -0.34 0.52 -0.03 0.00 -2.06 0.00 0.00 37.83 35.92 3ix9 s LYS 4 CO 0.44 -0.54 0.07 0.42 0.10 0.00 0.00 175.35 175.84 3ix9 s ILE 5 N -3.83 4.41 -0.08 3.79 1.01 -1.26 -1.37 121.20 123.87 3ix9 s ILE 5 Ca 0.06 -0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.60 3ix9 s ILE 5 Cb -0.00 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.43 3ix9 s ILE 5 CO -0.07 0.37 -0.21 -0.69 0.00 0.00 0.00 174.94 174.33 3ix9 s VAL 6 N 1.32 1.83 -0.03 2.92 1.01 0.30 -0.59 120.40 127.15 3ix9 s VAL 6 Ca 0.05 -0.90 -0.13 0.00 0.00 0.00 0.00 61.98 61.00 3ix9 s VAL 6 Cb -0.15 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 3ix9 s VAL 6 CO 0.03 0.51 0.34 0.00 0.00 0.00 0.00 175.10 175.99 3ix9 s ALA 7 N 0.29 3.74 -0.02 5.51 0.00 -0.43 0.14 121.76 130.98 3ix9 s ALA 7 Ca -0.14 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.50 3ix9 s ALA 7 Cb -0.16 -2.28 0.02 0.00 0.00 0.00 0.00 23.12 20.70 3ix9 s ALA 7 CO 0.06 0.52 0.01 -1.50 0.00 0.00 0.00 175.76 174.85 3ix9 s ILE 8 N -1.06 0.10 0.26 0.00 2.07 -0.57 -0.81 121.20 121.19 3ix9 s ILE 8 Ca 0.22 0.09 -0.18 0.00 -1.41 0.00 0.00 60.65 59.37 3ix9 s ILE 8 Cb -0.16 -0.19 0.02 0.00 0.13 0.00 0.00 42.46 42.26 3ix9 s ILE 8 CO 0.11 0.11 0.63 -1.66 -1.91 0.00 0.00 174.94 172.22 3ix9 s TRP 9 N 0.85 -0.05 0.02 3.50 -2.14 -1.00 -4.53 118.94 115.60 3ix9 s TRP 9 Ca -0.08 -0.36 0.06 0.00 2.66 0.00 0.00 56.10 58.38 3ix9 s TRP 9 Cb -0.11 0.52 -0.02 0.00 -3.10 0.00 0.00 33.47 30.76 3ix9 s TRP 9 CO -0.02 -1.12 -0.19 0.00 -2.66 0.00 0.00 176.95 172.97 3ix9 s ALA 10 N -3.93 1.55 0.03 2.67 0.00 -1.26 -1.30 121.76 119.53 3ix9 s ALA 10 Ca 0.13 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 51.11 3ix9 s ALA 10 Cb -0.04 -0.33 -0.00 0.00 0.00 0.00 0.00 23.12 22.75 3ix9 s ALA 10 CO 0.06 0.35 0.16 1.14 0.00 0.00 0.00 175.76 177.47 3ix9 s GLN 11 N -0.86 0.63 0.38 0.00 -2.07 -0.14 -4.61 119.66 112.99 3ix9 s GLN 11 Ca 0.06 -0.63 -0.06 0.00 -1.82 0.00 0.00 55.36 52.91 3ix9 s GLN 11 Cb -0.08 0.26 0.09 0.00 -1.09 0.00 0.00 33.01 32.19 3ix9 s GLN 11 CO 0.01 -0.17 0.52 -0.40 -1.32 0.00 0.00 175.29 173.93 3ix9 n ASP 12 N 0.82 0.07 0.21 12.60 5.75 -0.52 -0.62 116.55 134.87 3ix9 n ASP 12 Ca -0.19 -1.21 0.14 0.00 -0.01 0.00 0.00 54.79 53.52 3ix9 n ASP 12 Cb 0.58 -0.40 0.77 0.00 -1.03 0.00 0.00 41.12 41.04 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 -0.39 0.11 5.08 -1.11 -2.38 114.58 115.89 3ix9 h GLU 13 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3ix9 h GLU 13 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3ix9 h GLU 13 CO 0.12 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.52 3ix9 n GLU 14 N -4.14 2.42 -0.20 2.33 -0.58 -1.26 -4.95 120.64 114.26 3ix9 n GLU 14 Ca 0.00 -2.22 0.00 0.00 -0.42 0.00 0.00 57.16 54.52 3ix9 n GLU 14 Cb 0.23 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 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 1.36 0.87 3.72 0.62 0.00 -0.90 -4.96 105.19 105.90 3ix9 n GLY 15 Ca 0.18 0.00 -0.42 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 -2.04 3.58 0.00 1.61 1.01 -1.26 -0.72 120.40 122.58 3ix9 s VAL 16 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.16 3ix9 s VAL 16 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.63 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 3.57 0.00 -3.67 2.22 -5.35 -0.18 -1.44 119.36 114.51 3ix9 n ILE 17 Ca 0.09 -0.09 -0.10 0.00 -0.27 0.00 0.00 62.75 62.38 3ix9 n ILE 17 Cb 0.44 0.53 -0.04 0.00 -1.74 0.00 0.00 39.64 38.82 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 -1.42 -0.20 -0.24 3.28 0.00 -0.46 -4.63 107.32 103.65 3ix9 s GLY 18 Ca 0.00 -0.12 -0.13 0.00 0.00 0.00 0.00 44.72 44.47 3ix9 s GLY 18 CO 0.00 -0.30 0.58 1.25 0.00 0.00 0.00 173.10 174.63 3ix9 s LYS 19 N -3.83 0.59 -1.49 2.90 2.47 0.49 -1.00 119.74 119.86 3ix9 s LYS 19 Ca 0.05 1.07 -0.05 0.00 -1.56 0.00 0.00 55.97 55.48 3ix9 s LYS 19 Cb 0.01 0.09 0.04 0.00 -1.46 0.00 0.00 37.83 36.52 3ix9 s LYS 19 CO -0.09 -0.15 0.51 -0.25 0.16 0.00 0.00 175.35 175.53 3ix9 n ASP 20 N 4.33 -1.19 -2.02 1.43 8.00 -1.26 -1.04 116.55 124.80 3ix9 n ASP 20 Ca -0.21 -1.01 -0.21 0.00 0.71 0.00 0.00 54.79 54.07 3ix9 n ASP 20 Cb 0.57 -2.95 -0.05 0.00 -0.02 0.00 0.00 41.12 38.67 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 -2.89 -5.72 -2.82 -2.24 3.02 -1.26 -4.95 115.26 98.39 3ix9 n ASN 21 Ca -0.20 0.22 -0.14 0.00 -0.03 0.00 0.00 54.58 54.43 3ix9 n ASN 21 Cb 0.63 -4.87 -0.03 0.00 -0.61 0.00 0.00 39.78 34.90 3ix9 n ASN 21 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3ix9 n ARG 22 N -2.72 0.60 -3.60 3.52 -4.01 -0.21 -4.33 116.66 105.91 3ix9 n ARG 22 Ca -0.23 -2.57 -0.37 0.00 -1.04 0.00 0.00 57.85 53.65 3ix9 n ARG 22 Cb 0.69 2.43 -0.07 0.00 -3.04 0.00 0.00 32.46 32.47 3ix9 n ARG 22 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 3ix9 s LEU 23 N 0.00 4.31 0.00 2.89 1.02 -1.26 -0.38 118.68 125.25 3ix9 s LEU 23 Ca 0.27 0.56 -0.01 0.00 0.02 0.00 0.00 54.13 54.97 3ix9 s LEU 23 Cb -0.01 -2.34 -0.06 0.00 0.02 0.00 0.00 46.19 43.80 3ix9 s LEU 23 CO 0.19 0.20 2.00 -0.81 0.02 0.00 0.00 176.35 177.95 3ix9 n PRO 24 N 2.99 1.03 -3.82 1.29 -0.04 -1.26 -4.76 135.00 130.43 3ix9 n PRO 24 Ca -0.14 -0.23 -0.00 0.00 -0.04 0.00 0.00 63.50 63.08 3ix9 n PRO 24 Cb 0.52 -1.34 0.01 0.00 -0.04 0.00 0.00 33.50 32.65 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 0.71 -0.00 -0.23 0.54 -2.14 -1.26 -4.90 118.94 111.66 3ix9 s TRP 25 Ca 0.16 -0.24 -0.03 0.00 2.66 0.00 0.00 56.10 58.65 3ix9 s TRP 25 Cb 0.08 0.62 0.12 0.00 -3.10 0.00 0.00 33.47 31.18 3ix9 s TRP 25 CO 0.00 -0.57 0.34 -0.47 -2.66 0.00 0.00 176.95 173.59 3ix9 s TYR 26 N -2.37 -0.70 -0.40 1.66 5.04 -1.26 -5.10 117.35 114.22 3ix9 s TYR 26 Ca 0.20 0.71 0.01 0.00 -2.44 0.00 0.00 57.07 55.56 3ix9 s TYR 26 Cb 0.00 -0.06 0.13 0.00 0.35 0.00 0.00 41.96 42.39 3ix9 s TYR 26 CO 0.01 -0.69 0.22 -0.51 -1.34 0.00 0.00 175.55 173.24 3ix9 s LEU 27 N 2.50 2.08 0.31 6.97 1.43 -1.26 -4.73 118.68 125.98 3ix9 s LEU 27 Ca 0.11 -2.40 0.08 0.00 -1.03 0.00 0.00 54.13 50.90 3ix9 s LEU 27 Cb -0.15 -0.81 0.85 0.00 0.03 0.00 0.00 46.19 46.10 3ix9 s LEU 27 CO -0.15 -0.29 1.73 -0.65 0.23 0.00 0.00 176.35 177.22 3ix9 h PRO 28 N 6.94 0.56 -0.50 1.29 0.11 -2.00 1.00 132.00 139.40 3ix9 h PRO 28 Ca 0.00 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 3ix9 h PRO 28 Cb 0.95 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 3ix9 h PRO 28 CO 0.41 0.37 0.23 0.00 -0.21 0.00 0.00 178.00 178.80 3ix9 h ALA 29 N 1.72 1.46 -0.17 -0.75 0.00 -1.94 0.19 119.26 119.76 3ix9 h ALA 29 Ca 0.63 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 55.25 3ix9 h ALA 29 Cb 1.16 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3ix9 h ALA 29 CO -0.47 0.42 -0.59 1.49 0.00 0.00 0.00 179.25 180.10 3ix9 h GLU 30 N 0.71 0.56 -0.24 0.00 4.22 -1.26 -2.34 114.58 116.23 3ix9 h GLU 30 Ca 0.18 -0.38 -0.09 0.00 0.08 0.00 0.00 59.36 59.15 3ix9 h GLU 30 Cb 0.10 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3ix9 h GLU 30 CO -0.02 0.99 -0.23 -0.07 -2.18 0.00 0.00 179.01 177.50 3ix9 h LEU 31 N 0.42 0.44 -0.82 1.64 3.38 -0.60 -1.55 115.31 118.22 3ix9 h LEU 31 Ca -0.00 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 3ix9 h LEU 31 Cb 1.15 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 3ix9 h LEU 31 CO 0.11 0.68 0.32 -0.61 0.09 0.00 0.00 178.44 179.03 3ix9 h GLN 32 N 0.40 1.19 -0.70 1.13 5.75 -0.38 0.86 115.11 123.36 3ix9 h GLN 32 Ca 0.06 -0.21 -0.05 0.00 -0.15 0.00 0.00 58.65 58.30 3ix9 h GLN 32 Cb 0.62 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.95 3ix9 h GLN 32 CO 0.04 0.96 0.24 1.25 -2.65 0.00 0.00 178.83 178.67 3ix9 h HIS 33 N 1.16 1.10 -0.00 3.99 2.76 -0.88 -1.15 115.15 122.13 3ix9 h HIS 33 Ca 0.27 -0.10 -0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3ix9 h HIS 33 Cb 0.21 -0.32 -0.00 0.00 1.55 0.00 0.00 27.41 28.85 3ix9 h HIS 33 CO 0.02 0.87 0.00 0.35 -1.30 0.00 0.00 177.93 177.87 3ix9 h PHE 34 N 1.01 0.00 -0.13 5.26 3.57 -0.52 -1.77 116.94 124.36 3ix9 h PHE 34 Ca 0.23 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.76 3ix9 h PHE 34 Cb 0.27 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 3ix9 h PHE 34 CO 0.02 0.04 -0.10 -0.22 -2.23 0.00 0.00 178.31 175.83 3ix9 h LYS 35 N -0.04 -0.10 -0.53 1.11 3.64 -0.55 -1.85 116.57 118.24 3ix9 h LYS 35 Ca 0.00 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3ix9 h LYS 35 Cb 0.04 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 3ix9 h LYS 35 CO -0.00 -0.07 0.23 0.93 -2.27 0.00 0.00 179.45 178.27 3ix9 h GLU 36 N -0.11 0.76 -0.19 1.90 5.08 -1.12 0.79 114.58 121.70 3ix9 h GLU 36 Ca 0.08 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 3ix9 h GLU 36 Cb 0.23 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 3ix9 h GLU 36 CO -0.20 0.62 -0.16 1.15 -1.00 0.00 0.00 179.01 179.42 3ix9 h THR 37 N 0.76 1.33 0.00 1.13 2.02 -1.05 -3.31 112.91 113.78 3ix9 h THR 37 Ca 0.18 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 66.06 3ix9 h THR 37 Cb 0.13 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 3ix9 h THR 37 CO -0.02 0.39 -0.59 0.35 0.37 0.00 0.00 175.52 176.02 3ix9 n THR 38 N -4.50 0.36 -1.56 3.16 -2.24 -0.72 -4.94 114.28 103.85 3ix9 n THR 38 Ca -0.05 -0.27 -0.50 0.00 -2.27 0.00 0.00 64.05 60.95 3ix9 n THR 38 Cb 0.38 -0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.41 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 -2.12 1.25 -1.83 3.22 7.94 0.26 -1.37 117.00 124.36 3ix9 n LEU 39 Ca 0.03 1.14 -0.18 0.00 -1.11 0.00 0.00 56.01 55.89 3ix9 n LEU 39 Cb 0.44 -1.17 -0.03 0.00 0.53 0.00 0.00 43.42 43.18 3ix9 n LEU 39 CO 0.36 -1.42 -0.21 0.59 -1.11 0.00 0.00 177.39 175.60 3ix9 n ASN 40 N 2.02 -5.23 -2.42 1.96 5.03 0.11 -4.98 115.26 111.74 3ix9 n ASN 40 Ca 0.16 0.14 -0.11 0.00 0.87 0.00 0.00 54.58 55.64 3ix9 n ASN 40 Cb 0.23 -4.31 -0.04 0.00 -1.02 0.00 0.00 39.78 34.64 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 -3.48 -0.11 -4.06 3.10 8.25 -0.47 -4.95 115.22 113.50 3ix9 n HIS 41 Ca -0.20 -1.31 -0.32 0.00 -0.26 0.00 0.00 57.72 55.63 3ix9 n HIS 41 Cb 0.64 0.05 -0.06 0.00 1.12 0.00 0.00 29.99 31.74 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 -2.59 3.63 -0.01 -1.41 0.00 -1.19 -0.95 121.76 119.24 3ix9 s ALA 42 Ca 0.14 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.20 3ix9 s ALA 42 Cb 0.01 -1.55 -0.01 0.00 0.00 0.00 0.00 23.12 21.58 3ix9 s ALA 42 CO 0.10 0.73 -0.10 0.96 0.00 0.00 0.00 175.76 177.46 3ix9 s ILE 43 N -1.32 0.77 -0.20 0.00 -4.36 -0.46 -1.54 121.20 114.09 3ix9 s ILE 43 Ca 0.27 -0.40 -0.00 0.00 -0.26 0.00 0.00 60.65 60.26 3ix9 s ILE 43 Cb -0.12 -0.65 0.01 0.00 1.25 0.00 0.00 42.46 42.95 3ix9 s ILE 43 CO 0.19 0.22 -0.14 -0.22 0.24 0.00 0.00 174.94 175.23 3ix9 s LEU 44 N -0.13 2.45 0.12 0.37 0.20 0.10 -0.60 118.68 121.20 3ix9 s LEU 44 Ca 0.02 -0.62 0.05 0.00 0.69 0.00 0.00 54.13 54.28 3ix9 s LEU 44 Cb -0.05 -1.57 -0.04 0.00 -0.43 0.00 0.00 46.19 44.11 3ix9 s LEU 44 CO -0.00 -0.02 -0.13 0.00 -0.29 0.00 0.00 176.35 175.91 3ix9 s MET 45 N 1.34 0.98 0.68 1.98 0.23 -0.88 -1.25 119.30 122.38 3ix9 s MET 45 Ca 0.04 -1.23 -0.13 0.00 -1.03 0.00 0.00 55.69 53.34 3ix9 s MET 45 Cb -0.14 -0.79 0.01 0.00 -1.53 0.00 0.00 34.83 32.38 3ix9 s MET 45 CO -0.09 0.14 1.09 0.20 -2.03 0.00 0.00 175.02 174.32 3ix9 s GLY 46 N -2.50 1.96 0.32 3.16 0.00 -1.03 -1.85 107.32 107.39 3ix9 s GLY 46 Ca 0.08 0.38 0.02 0.00 0.00 0.00 0.00 44.72 45.20 3ix9 s GLY 46 CO 0.02 0.72 1.95 -0.09 0.00 0.00 0.00 173.10 175.70 3ix9 h ARG 47 N -0.27 0.93 -0.33 2.90 1.12 -1.75 -2.33 114.38 114.66 3ix9 h ARG 47 Ca -0.46 -0.06 -0.01 0.00 -1.11 0.00 0.00 59.98 58.35 3ix9 h ARG 47 Cb 1.23 -0.21 -0.02 0.00 -0.01 0.00 0.00 29.97 30.97 3ix9 h ARG 47 CO 0.54 0.62 0.18 0.28 -3.11 0.00 0.00 179.97 178.48 3ix9 h VAL 48 N 0.96 1.13 -0.69 0.20 2.07 -1.91 -1.59 116.25 116.42 3ix9 h VAL 48 Ca 0.33 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 3ix9 h VAL 48 Cb 0.09 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3ix9 h VAL 48 CO -0.10 0.13 0.24 0.74 0.02 0.00 0.00 177.57 178.61 3ix9 h THR 49 N 0.41 1.24 -0.03 2.57 2.02 -1.80 0.10 112.91 117.43 3ix9 h THR 49 Ca 0.12 -0.81 -0.00 0.00 0.77 0.00 0.00 66.41 66.48 3ix9 h THR 49 Cb 0.05 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3ix9 h THR 49 CO -0.02 0.32 0.02 0.15 0.37 0.00 0.00 175.52 176.36 3ix9 h PHE 50 N 1.01 0.04 -0.47 3.16 3.57 -1.10 -1.23 116.94 121.92 3ix9 h PHE 50 Ca 0.23 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 3ix9 h PHE 50 Cb 0.24 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 3ix9 h PHE 50 CO 0.02 0.06 0.06 -0.44 -2.23 0.00 0.00 178.31 175.77 3ix9 h ASP 51 N 0.02 0.70 -0.62 0.41 3.32 -1.12 -0.32 116.42 118.79 3ix9 h ASP 51 Ca 0.01 -0.14 0.07 0.00 0.02 0.00 0.00 57.03 56.99 3ix9 h ASP 51 Cb 0.02 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 3ix9 h ASP 51 CO -0.00 0.73 0.41 1.23 -1.72 0.00 0.00 179.24 179.89 3ix9 h GLY 52 N 0.94 0.74 -3.46 2.75 0.00 0.04 -1.13 103.07 102.95 3ix9 h GLY 52 Ca 0.15 -0.23 -0.33 0.00 0.00 0.00 0.00 47.33 46.91 3ix9 h GLY 52 CO 0.01 0.17 0.43 1.15 0.00 0.00 0.00 176.54 178.29 3ix9 n MET 53 N -4.48 2.34 -2.23 4.80 0.00 -0.54 -4.78 117.12 112.23 3ix9 n MET 53 Ca 0.09 -2.37 -0.18 0.00 0.00 0.00 0.00 57.70 55.25 3ix9 n MET 53 Cb 0.27 -1.95 -0.02 0.00 0.00 0.00 0.00 33.22 31.52 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 -0.56 -0.08 3.16 3.17 0.00 -0.43 -2.64 105.19 107.80 3ix9 n GLY 54 Ca 0.42 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.67 -3.61 -2.56 1.61 1.74 -0.17 -4.92 116.66 106.08 3ix9 n ARG 55 Ca -0.21 0.60 -0.41 0.00 -0.77 0.00 0.00 57.85 57.06 3ix9 n ARG 55 Cb 0.65 -5.33 -0.04 0.00 -1.02 0.00 0.00 32.46 26.72 3ix9 n ARG 55 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3ix9 s ARG 56 N -5.81 4.58 -0.38 5.56 0.52 -1.08 -5.01 118.95 117.33 3ix9 s ARG 56 Ca 0.32 1.63 -0.18 0.00 -0.52 0.00 0.00 55.73 56.99 3ix9 s ARG 56 Cb -0.16 -3.34 0.01 0.00 0.52 0.00 0.00 34.95 31.98 3ix9 s ARG 56 CO 0.40 0.02 0.48 -0.51 0.02 0.00 0.00 175.30 175.71 3ix9 s LEU 57 N 0.19 4.52 0.01 2.53 1.43 -1.26 -5.03 118.68 121.06 3ix9 s LEU 57 Ca 0.51 -0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 53.03 3ix9 s LEU 57 Cb -0.27 -2.51 -0.06 0.00 0.03 0.00 0.00 46.19 43.38 3ix9 s LEU 57 CO 0.32 -0.52 1.52 -0.76 0.23 0.00 0.00 176.35 177.14 3ix9 s LEU 58 N 2.32 4.33 0.40 1.79 1.43 -1.26 -4.96 118.68 122.72 3ix9 s LEU 58 Ca 0.16 2.25 -0.27 0.00 -1.03 0.00 0.00 54.13 55.24 3ix9 s LEU 58 Cb -0.16 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.41 3ix9 s LEU 58 CO 0.14 -0.81 1.45 -2.16 0.23 0.00 0.00 176.35 175.20 3ix9 s PRO 59 N 2.76 3.97 -1.57 1.29 0.04 -1.26 -2.64 135.00 137.59 3ix9 s PRO 59 Ca 0.68 2.48 0.00 0.00 0.04 0.00 0.00 61.00 64.20 3ix9 s PRO 59 Cb -0.34 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 31.34 3ix9 s PRO 59 CO 0.29 -0.61 0.00 1.17 0.04 0.00 0.00 177.00 177.88 3ix9 n LYS 60 N 0.24 -1.07 -5.12 4.56 3.00 -1.26 -4.84 118.16 113.66 3ix9 n LYS 60 Ca 0.02 1.00 -0.30 0.00 -0.00 0.00 0.00 58.31 59.03 3ix9 n LYS 60 Cb 0.40 -5.16 -0.17 0.00 0.00 0.00 0.00 35.03 30.11 3ix9 n LYS 60 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3ix9 s ARG 61 N -3.44 2.53 -0.65 1.64 3.00 -1.08 0.05 118.95 121.00 3ix9 s ARG 61 Ca 0.00 -0.81 -0.22 0.00 0.00 0.00 0.00 55.73 54.70 3ix9 s ARG 61 Cb 0.00 -2.05 0.07 0.00 0.00 0.00 0.00 34.95 32.98 3ix9 s ARG 61 CO 0.00 0.26 0.94 -2.00 0.00 0.00 0.00 175.30 174.50 3ix9 s GLU 62 N 0.12 3.11 -0.17 3.54 2.12 -0.12 -4.85 118.70 122.44 3ix9 s GLU 62 Ca -0.10 -0.86 -0.26 0.00 0.36 0.00 0.00 54.97 54.12 3ix9 s GLU 62 Cb -0.15 -4.23 -0.01 0.00 0.26 0.00 0.00 34.13 30.00 3ix9 s GLU 62 CO 0.05 -1.78 0.85 0.99 -0.54 0.00 0.00 175.26 174.83 3ix9 s THR 63 N 3.95 4.86 -0.14 -1.70 2.01 -1.26 -1.35 115.64 122.01 3ix9 s THR 63 Ca 0.21 1.67 0.01 0.00 0.31 0.00 0.00 61.69 63.89 3ix9 s THR 63 Cb -0.17 -4.16 -0.00 0.00 0.01 0.00 0.00 72.50 68.18 3ix9 s THR 63 CO 0.10 0.01 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.12 3ix9 s LEU 64 N 2.22 2.48 -0.12 4.42 1.02 0.24 -1.97 118.68 126.97 3ix9 s LEU 64 Ca 0.39 -0.45 -0.02 0.00 0.02 0.00 0.00 54.13 54.07 3ix9 s LEU 64 Cb -0.17 -1.55 -0.03 0.00 0.02 0.00 0.00 46.19 44.46 3ix9 s LEU 64 CO 0.12 0.12 -0.05 -0.63 0.02 0.00 0.00 176.35 175.92 3ix9 s ILE 65 N 0.63 3.78 -0.24 -0.59 -1.09 0.20 -2.07 121.20 121.82 3ix9 s ILE 65 Ca -0.09 -0.42 -0.09 0.00 -2.23 0.00 0.00 60.65 57.83 3ix9 s ILE 65 Cb -0.16 -2.62 -0.04 0.00 -1.58 0.00 0.00 42.46 38.07 3ix9 s ILE 65 CO 0.03 0.53 0.11 -0.22 -1.23 0.00 0.00 174.94 174.16 3ix9 s LEU 66 N -0.03 3.76 0.17 2.97 2.96 -0.77 -0.39 118.68 127.35 3ix9 s LEU 66 Ca 0.01 -0.06 -0.12 0.00 -0.22 0.00 0.00 54.13 53.74 3ix9 s LEU 66 Cb -0.13 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.55 3ix9 s LEU 66 CO 0.03 0.01 0.37 0.28 -1.32 0.00 0.00 176.35 175.72 3ix9 s THR 67 N 1.34 0.05 -1.59 3.68 -1.32 0.00 -1.90 115.64 115.90 3ix9 s THR 67 Ca 0.06 -1.16 0.14 0.00 -1.21 0.00 0.00 61.69 59.52 3ix9 s THR 67 Cb -0.15 -1.73 0.07 0.00 -1.51 0.00 0.00 72.50 69.18 3ix9 s THR 67 CO 0.05 -0.24 0.88 0.54 -2.21 0.00 0.00 174.62 173.64 3ix9 n ARG 68 N -0.26 1.37 -2.53 7.08 1.74 -1.26 -3.81 116.66 118.99 3ix9 n ARG 68 Ca -0.08 -1.10 -0.43 0.00 -0.77 0.00 0.00 57.85 55.46 3ix9 n ARG 68 Cb 0.63 -1.25 -0.02 0.00 -1.02 0.00 0.00 32.46 30.80 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 -1.42 6.57 0.54 0.55 3.84 -1.26 -4.90 114.94 118.86 3ix9 s ASN 69 Ca 0.15 0.60 0.34 0.00 0.21 0.00 0.00 52.86 54.16 3ix9 s ASN 69 Cb 0.12 -2.55 1.49 0.00 -0.55 0.00 0.00 41.25 39.76 3ix9 s ASN 69 CO 0.25 -1.28 2.02 1.55 -2.79 0.00 0.00 177.10 176.84 3ix9 h PRO 70 N 9.58 0.00 -0.18 0.43 0.13 -2.01 -2.58 132.00 137.37 3ix9 h PRO 70 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3ix9 h PRO 70 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3ix9 h PRO 70 CO 1.11 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 178.03 3ix9 n GLU 71 N -3.02 2.28 -2.08 0.86 0.28 -1.26 -4.93 120.64 112.77 3ix9 n GLU 71 Ca 0.00 -2.03 -0.42 0.00 -0.16 0.00 0.00 57.16 54.55 3ix9 n GLU 71 Cb 0.26 -1.46 -0.03 0.00 1.43 0.00 0.00 31.44 31.65 3ix9 n GLU 71 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 3ix9 s GLU 72 N -1.68 4.21 -0.28 3.44 2.56 -0.97 -4.96 118.70 121.01 3ix9 s GLU 72 Ca 0.31 2.12 0.00 0.00 0.00 0.00 0.00 54.97 57.41 3ix9 s GLU 72 Cb 0.20 -3.79 0.15 0.00 2.00 0.00 0.00 34.13 32.68 3ix9 s GLU 72 CO 0.29 -0.75 0.35 0.21 -0.56 0.00 0.00 175.26 174.81 3ix9 s LYS 73 N 3.33 0.36 -0.15 4.30 2.47 -1.26 -4.95 119.74 123.84 3ix9 s LYS 73 Ca 0.70 0.06 -0.06 0.00 -1.56 0.00 0.00 55.97 55.10 3ix9 s LYS 73 Cb -0.33 -0.49 -0.04 0.00 -1.46 0.00 0.00 37.83 35.51 3ix9 s LYS 73 CO 0.28 -0.99 0.07 0.42 0.16 0.00 0.00 175.35 175.29 3ix9 s ILE 74 N 2.46 4.84 0.32 5.43 1.09 -1.26 -5.08 121.20 128.99 3ix9 s ILE 74 Ca 0.10 -0.03 -0.27 0.00 -1.10 0.00 0.00 60.65 59.35 3ix9 s ILE 74 Cb -0.13 -3.14 -0.09 0.00 -1.06 0.00 0.00 42.46 38.03 3ix9 s ILE 74 CO -0.30 0.52 1.00 -0.62 -0.10 0.00 0.00 174.94 175.45 3ix9 s ASP 75 N -0.13 7.22 0.00 3.58 -1.08 -1.26 -3.13 116.67 121.87 3ix9 s ASP 75 Ca 0.07 2.00 0.00 0.00 -0.52 0.00 0.00 52.55 54.11 3ix9 s ASP 75 Cb -0.12 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 3ix9 s ASP 75 CO 0.01 -0.16 0.00 0.61 0.52 0.00 0.00 175.17 176.16 3ix9 n GLY 76 N 0.80 0.66 3.14 2.66 0.00 -1.26 -5.04 105.19 106.14 3ix9 n GLY 76 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.26 0.62 -0.17 1.61 -7.23 -1.18 -4.65 120.40 107.14 3ix9 s VAL 77 Ca 0.00 -1.74 -0.08 0.00 -1.81 0.00 0.00 61.98 58.35 3ix9 s VAL 77 Cb 0.00 -1.44 -0.04 0.00 0.56 0.00 0.00 36.38 35.46 3ix9 s VAL 77 CO 0.00 -0.78 0.10 0.00 -0.31 0.00 0.00 175.10 174.11 3ix9 s ALA 78 N -3.18 3.62 -0.08 1.32 0.00 -0.83 -4.74 121.76 117.87 3ix9 s ALA 78 Ca 0.07 -0.70 -0.05 0.00 0.00 0.00 0.00 51.96 51.27 3ix9 s ALA 78 Cb 0.02 -1.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 3ix9 s ALA 78 CO -0.04 0.30 0.16 0.99 0.00 0.00 0.00 175.76 177.17 3ix9 s THR 79 N -0.05 5.48 0.02 0.00 2.01 -1.26 -0.63 115.64 121.20 3ix9 s THR 79 Ca 0.08 0.06 0.04 0.00 0.31 0.00 0.00 61.69 62.19 3ix9 s THR 79 Cb -0.12 -3.46 -0.02 0.00 0.01 0.00 0.00 72.50 68.92 3ix9 s THR 79 CO 0.00 0.50 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.94 3ix9 s PHE 80 N -1.15 1.16 -0.96 4.92 0.08 0.47 -4.92 117.98 117.59 3ix9 s PHE 80 Ca 0.20 -0.30 0.08 0.00 0.12 0.00 0.00 56.93 57.03 3ix9 s PHE 80 Cb -0.12 -0.71 0.05 0.00 -0.57 0.00 0.00 43.02 41.67 3ix9 s PHE 80 CO 0.10 0.01 0.71 0.72 -0.10 0.00 0.00 175.22 176.66 3ix9 n HIS 81 N 2.24 0.00 -3.87 0.36 8.25 -1.25 -0.82 115.22 120.13 3ix9 n HIS 81 Ca -0.16 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.22 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 -0.81 -0.25 0.09 0.41 1.47 -1.26 -4.69 116.67 111.62 3ix9 s ASP 82 Ca 0.09 -0.63 -0.17 0.00 1.18 0.00 0.00 52.55 53.02 3ix9 s ASP 82 Cb 0.07 0.72 -0.07 0.00 -0.34 0.00 0.00 42.92 43.30 3ix9 s ASP 82 CO 0.13 -1.34 1.49 0.58 0.68 0.00 0.00 175.17 176.71 3ix9 h VAL 83 N 2.01 1.28 -0.84 2.11 2.07 -1.96 -3.14 116.25 117.78 3ix9 h VAL 83 Ca -0.19 -1.09 0.12 0.00 0.82 0.00 0.00 66.70 66.35 3ix9 h VAL 83 Cb 1.25 1.40 -0.08 0.00 -1.52 0.00 0.00 31.29 32.34 3ix9 h VAL 83 CO 0.24 0.35 0.46 -0.61 0.02 0.00 0.00 177.57 178.03 3ix9 h GLN 84 N 0.32 0.71 -0.99 1.57 5.75 -1.99 -0.29 115.11 120.18 3ix9 h GLN 84 Ca 0.07 -0.04 0.05 0.00 -0.15 0.00 0.00 58.65 58.58 3ix9 h GLN 84 Cb 0.54 -0.16 -0.06 0.00 1.07 0.00 0.00 27.48 28.87 3ix9 h GLN 84 CO 0.03 0.47 0.65 1.03 -2.65 0.00 0.00 178.83 178.35 3ix9 h SER 85 N 0.73 1.06 -0.03 -0.69 0.87 -1.96 -0.93 113.55 112.58 3ix9 h SER 85 Ca 0.43 -0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.80 3ix9 h SER 85 Cb 0.49 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 3ix9 h SER 85 CO -0.29 0.70 -0.62 0.58 -0.53 0.00 0.00 176.83 176.67 3ix9 h VAL 86 N 1.21 1.31 -0.18 2.23 2.07 -1.09 -2.20 116.25 119.60 3ix9 h VAL 86 Ca 0.41 -1.87 -0.09 0.00 0.82 0.00 0.00 66.70 65.97 3ix9 h VAL 86 Cb 0.08 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3ix9 h VAL 86 CO -0.14 0.59 -0.28 -0.07 0.02 0.00 0.00 177.57 177.68 3ix9 h LEU 87 N 0.48 0.34 -0.20 2.57 3.38 -0.58 0.52 115.31 121.83 3ix9 h LEU 87 Ca -0.01 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 3ix9 h LEU 87 Cb 1.19 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 3ix9 h LEU 87 CO 0.12 0.62 -0.24 0.44 0.09 0.00 0.00 178.44 179.48 3ix9 h ASP 88 N 0.30 0.55 -0.10 -0.43 3.32 -1.11 -1.57 116.42 117.38 3ix9 h ASP 88 Ca 0.04 -0.50 0.03 0.00 0.02 0.00 0.00 57.03 56.63 3ix9 h ASP 88 Cb 0.66 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 3ix9 h ASP 88 CO 0.05 0.93 -0.07 -0.25 -1.72 0.00 0.00 179.24 178.18 3ix9 h TRP 89 N 0.18 -0.18 -0.63 4.55 7.01 -1.12 -2.09 115.95 123.67 3ix9 h TRP 89 Ca 0.03 0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.12 3ix9 h TRP 89 Cb 0.80 0.10 -0.06 0.00 -2.10 0.00 0.00 29.16 27.89 3ix9 h TRP 89 CO 0.08 -0.12 0.30 -0.92 -2.79 0.00 0.00 178.44 174.99 3ix9 h TYR 90 N -0.08 0.54 0.00 2.65 3.20 -0.79 -2.02 116.97 120.46 3ix9 h TYR 90 Ca 0.07 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 3ix9 h TYR 90 Cb 0.18 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.30 3ix9 h TYR 90 CO -0.19 0.21 -0.15 0.66 -1.64 0.00 0.00 178.16 177.04 3ix9 h SER 91 N 0.54 0.00 -0.23 -2.11 4.64 -0.92 -2.89 113.55 112.57 3ix9 h SER 91 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3ix9 h SER 91 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3ix9 h SER 91 CO -0.24 0.15 0.00 0.00 -0.87 0.00 0.00 176.83 175.87 3ix9 n ALA 92 N -2.21 2.48 -4.01 5.18 0.00 -0.77 -4.91 120.51 116.28 3ix9 n ALA 92 Ca -0.00 -0.45 -0.17 0.00 0.00 0.00 0.00 53.44 52.81 3ix9 n ALA 92 Cb 0.36 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.74 3ix9 n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ix9 n GLN 93 N 0.22 0.43 -0.03 0.00 -0.00 -1.09 -5.07 117.38 111.83 3ix9 n GLN 93 Ca 0.10 -2.68 -0.03 0.00 -0.00 0.00 0.00 57.00 54.39 3ix9 n GLN 93 Cb 0.23 2.31 -0.06 0.00 -0.00 0.00 0.00 30.24 32.72 3ix9 n GLN 93 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3ix9 n GLU 94 N -0.52 2.48 -1.22 2.61 -0.58 -1.26 -4.98 120.64 117.17 3ix9 n GLU 94 Ca 0.05 -0.01 -0.36 0.00 -0.42 0.00 0.00 57.16 56.42 3ix9 n GLU 94 Cb 0.51 -1.19 0.08 0.00 -0.57 0.00 0.00 31.44 30.26 3ix9 n GLU 94 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3ix9 n LYS 95 N -2.23 0.27 -2.39 3.49 5.02 -1.26 -4.63 118.16 116.44 3ix9 n LYS 95 Ca -0.11 0.14 -0.33 0.00 -2.02 0.00 0.00 58.31 55.98 3ix9 n LYS 95 Cb 0.69 -1.92 -0.02 0.00 -0.02 0.00 0.00 35.03 33.76 3ix9 n LYS 95 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3ix9 s ASN 96 N -1.58 6.31 -0.17 4.39 -0.87 -1.26 -4.68 114.94 117.08 3ix9 s ASN 96 Ca 0.66 1.77 0.01 0.00 -1.57 0.00 0.00 52.86 53.73 3ix9 s ASN 96 Cb -0.33 -2.54 0.01 0.00 -0.02 0.00 0.00 41.25 38.37 3ix9 s ASN 96 CO 0.57 -0.80 -0.17 -0.22 -2.57 0.00 0.00 177.10 173.91 3ix9 s LEU 97 N -3.91 2.32 -0.25 0.60 2.96 -0.47 -3.15 118.68 116.78 3ix9 s LEU 97 Ca 0.63 -0.55 -0.09 0.00 -0.22 0.00 0.00 54.13 53.90 3ix9 s LEU 97 Cb -0.14 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 3ix9 s LEU 97 CO 0.27 0.04 0.12 -0.31 -1.32 0.00 0.00 176.35 175.15 3ix9 s TYR 98 N 1.05 3.18 -0.37 5.38 2.02 -0.59 -0.54 117.35 127.48 3ix9 s TYR 98 Ca -0.01 -0.10 -0.25 0.00 -0.37 0.00 0.00 57.07 56.34 3ix9 s TYR 98 Cb -0.14 -2.26 0.01 0.00 -0.40 0.00 0.00 41.96 39.17 3ix9 s TYR 98 CO -0.05 -0.16 0.90 0.42 -1.57 0.00 0.00 175.55 175.08 3ix9 s ILE 99 N 1.38 4.61 -0.88 2.71 -1.09 0.12 -0.72 121.20 127.34 3ix9 s ILE 99 Ca 0.06 1.11 0.19 0.00 -2.23 0.00 0.00 60.65 59.77 3ix9 s ILE 99 Cb -0.15 -4.31 -0.21 0.00 -1.58 0.00 0.00 42.46 36.21 3ix9 s ILE 99 CO 0.06 -0.53 0.80 0.52 -1.23 0.00 0.00 174.94 174.55 3ix9 n VAL 100 N 5.96 0.00 0.00 2.92 0.31 -0.38 -1.52 118.33 125.63 3ix9 n VAL 100 Ca 0.06 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3ix9 n VAL 100 Cb 0.48 0.99 0.00 0.00 -0.91 0.00 0.00 33.84 34.40 3ix9 n VAL 100 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ix9 n GLY 101 N 1.45 2.72 0.00 2.92 0.00 -1.25 -4.85 105.19 106.18 3ix9 n GLY 101 Ca 0.03 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.32 1.38 0.31 -0.02 0.00 -1.26 -2.46 105.19 101.82 3ix9 n GLY 102 Ca 0.00 -1.34 0.06 0.00 0.00 0.00 0.00 46.02 44.74 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 0.68 -0.63 1.61 3.64 -1.99 -1.66 116.57 118.23 3ix9 h LYS 103 Ca 0.00 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 3ix9 h LYS 103 Cb 0.00 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 3ix9 h LYS 103 CO 0.00 0.45 0.19 1.96 -2.27 0.00 0.00 179.45 179.78 3ix9 h GLN 104 N 0.70 0.96 -0.19 1.90 4.20 -1.96 -0.18 115.11 120.54 3ix9 h GLN 104 Ca 0.44 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.91 3ix9 h GLN 104 Cb 0.54 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3ix9 h GLN 104 CO -0.31 0.83 -0.08 0.82 -0.67 0.00 0.00 178.83 179.42 3ix9 h ILE 105 N 0.93 1.30 -0.76 2.54 5.03 -1.66 -0.46 117.51 124.43 3ix9 h ILE 105 Ca 0.21 -1.11 0.07 0.00 -0.12 0.00 0.00 64.86 63.90 3ix9 h ILE 105 Cb 0.27 1.63 -0.06 0.00 -3.03 0.00 0.00 36.82 35.64 3ix9 h ILE 105 CO -0.01 0.33 0.44 -0.26 -0.68 0.00 0.00 178.15 177.98 3ix9 h PHE 106 N 0.09 0.81 -0.50 1.37 0.04 -0.88 -1.90 116.94 115.97 3ix9 h PHE 106 Ca 0.04 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.80 3ix9 h PHE 106 Cb 0.55 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.43 3ix9 h PHE 106 CO 0.06 0.39 0.14 1.96 -0.60 0.00 0.00 178.31 180.26 3ix9 h GLN 107 N 0.80 0.79 -0.04 1.51 4.20 -0.81 -2.49 115.11 119.07 3ix9 h GLN 107 Ca 0.34 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 3ix9 h GLN 107 Cb 0.21 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3ix9 h GLN 107 CO -0.19 0.75 -0.25 0.00 -0.67 0.00 0.00 178.83 178.47 3ix9 h ALA 108 N 1.00 1.52 -0.03 3.87 0.00 -0.56 -3.12 119.26 121.94 3ix9 h ALA 108 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3ix9 h ALA 108 Cb 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ix9 h ALA 108 CO -0.00 0.36 -0.07 1.19 0.00 0.00 0.00 179.25 180.73 3ix9 n PHE 109 N -4.22 0.00 -0.29 0.00 3.72 -0.76 -4.60 117.46 111.31 3ix9 n PHE 109 Ca -0.02 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.49 3ix9 n PHE 109 Cb 0.32 0.00 0.27 0.00 -0.94 0.00 0.00 39.48 39.13 3ix9 n PHE 109 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3ix9 h GLU 110 N 4.33 0.32 0.00 -1.08 4.81 -1.39 -0.48 114.58 121.08 3ix9 h GLU 110 Ca 0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3ix9 h GLU 110 Cb 0.95 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.26 3ix9 h GLU 110 CO 0.00 0.21 -0.02 -1.35 -0.73 0.00 0.00 179.01 177.12 3ix9 h PRO 111 N 0.32 0.00 -0.52 0.92 0.11 -1.83 -3.01 132.00 127.99 3ix9 h PRO 111 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 3ix9 h PRO 111 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3ix9 h PRO 111 CO -0.55 0.02 0.00 0.66 -0.21 0.00 0.00 178.00 177.92 3ix9 n TYR 112 N -3.19 0.76 -2.63 0.65 4.01 -0.20 -5.00 117.16 111.56 3ix9 n TYR 112 Ca -0.02 -0.52 -0.42 0.00 -0.16 0.00 0.00 57.90 56.78 3ix9 n TYR 112 Cb 0.18 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.15 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 -1.12 4.29 0.07 7.72 1.43 -1.14 -4.65 118.68 125.28 3ix9 s LEU 113 Ca 0.36 1.64 0.15 0.00 -1.03 0.00 0.00 54.13 55.26 3ix9 s LEU 113 Cb 0.20 -3.56 -0.13 0.00 0.03 0.00 0.00 46.19 42.72 3ix9 s LEU 113 CO 0.23 -0.43 0.90 0.44 0.23 0.00 0.00 176.35 177.72 3ix9 h ASP 114 N 7.08 0.00 -4.95 2.29 3.32 -1.22 -3.46 116.42 119.47 3ix9 h ASP 114 Ca -0.35 0.00 0.05 0.00 0.02 0.00 0.00 57.03 56.76 3ix9 h ASP 114 Cb 1.17 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.61 3ix9 h ASP 114 CO 0.83 0.67 0.32 -0.70 -1.72 0.00 0.00 179.24 178.64 3ix9 s GLU 115 N -2.86 1.25 0.01 3.56 2.12 -1.19 -1.96 118.70 119.63 3ix9 s GLU 115 Ca -0.02 -0.55 0.02 0.00 0.36 0.00 0.00 54.97 54.78 3ix9 s GLU 115 Cb 0.08 0.52 -0.01 0.00 0.26 0.00 0.00 34.13 34.98 3ix9 s GLU 115 CO 0.81 -0.56 -0.07 0.14 -0.54 0.00 0.00 175.26 175.04 3ix9 s VAL 116 N -3.57 0.53 -0.29 3.70 -7.23 -0.01 -1.32 120.40 112.21 3ix9 s VAL 116 Ca 0.05 -0.47 0.02 0.00 -1.81 0.00 0.00 61.98 59.78 3ix9 s VAL 116 Cb -0.02 -0.48 0.08 0.00 0.56 0.00 0.00 36.38 36.52 3ix9 s VAL 116 CO -0.06 0.02 -0.00 -0.63 -0.31 0.00 0.00 175.10 174.12 3ix9 s ILE 117 N -0.44 1.88 -0.12 -0.62 1.01 0.01 -0.88 121.20 122.04 3ix9 s ILE 117 Ca -0.00 -1.80 -0.00 0.00 0.00 0.00 0.00 60.65 58.85 3ix9 s ILE 117 Cb -0.04 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 3ix9 s ILE 117 CO -0.00 -0.37 -0.12 0.54 0.00 0.00 0.00 174.94 174.99 3ix9 s VAL 118 N 1.16 3.16 -0.26 2.92 0.11 -0.12 -2.36 120.40 125.01 3ix9 s VAL 118 Ca 0.03 -0.63 -0.10 0.00 -2.93 0.00 0.00 61.98 58.35 3ix9 s VAL 118 Cb -0.19 -2.33 -0.05 0.00 -1.53 0.00 0.00 36.38 32.29 3ix9 s VAL 118 CO -0.09 0.53 0.15 -0.89 -3.33 0.00 0.00 175.10 171.47 3ix9 s THR 119 N 0.22 5.09 -0.45 5.04 2.01 -0.42 -0.58 115.64 126.54 3ix9 s THR 119 Ca -0.08 0.09 -0.16 0.00 0.31 0.00 0.00 61.69 61.86 3ix9 s THR 119 Cb -0.15 -3.40 0.05 0.00 0.01 0.00 0.00 72.50 69.01 3ix9 s THR 119 CO 0.05 0.30 0.38 -1.00 -0.69 0.00 0.00 174.62 173.66 3ix9 s HIS 120 N 1.51 3.23 -0.15 4.92 3.76 0.18 -0.97 115.29 127.77 3ix9 s HIS 120 Ca 0.07 -0.78 -0.25 0.00 -0.15 0.00 0.00 55.06 53.95 3ix9 s HIS 120 Cb -0.15 -3.01 -0.02 0.00 1.11 0.00 0.00 32.58 30.51 3ix9 s HIS 120 CO 0.08 -0.74 0.80 0.42 -0.85 0.00 0.00 174.74 174.44 3ix9 s ILE 121 N 1.73 4.92 -1.43 0.60 1.01 0.21 -1.08 121.20 127.16 3ix9 s ILE 121 Ca 0.05 1.58 -0.13 0.00 0.00 0.00 0.00 60.65 62.15 3ix9 s ILE 121 Cb -0.22 -4.11 0.06 0.00 0.01 0.00 0.00 42.46 38.20 3ix9 s ILE 121 CO 0.08 0.08 2.19 1.41 0.00 0.00 0.00 174.94 178.70 3ix9 n HIS 122 N 4.92 3.35 -3.80 3.97 8.25 -0.41 -2.78 115.22 128.73 3ix9 n HIS 122 Ca 0.03 -2.94 -0.07 0.00 -0.26 0.00 0.00 57.72 54.47 3ix9 n HIS 122 Cb 0.49 -2.42 -0.02 0.00 1.12 0.00 0.00 29.99 29.16 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 2.51 -1.30 -0.17 -1.41 0.00 -1.26 -4.49 121.76 115.63 3ix9 s ALA 123 Ca 0.47 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.25 3ix9 s ALA 123 Cb 0.13 0.84 0.04 0.00 0.00 0.00 0.00 23.12 24.13 3ix9 s ALA 123 CO -0.07 -1.00 -0.08 1.03 0.00 0.00 0.00 175.76 175.64 3ix9 s ARG 124 N -3.85 1.72 0.43 0.00 0.52 -1.26 -1.59 118.95 114.92 3ix9 s ARG 124 Ca 0.10 -0.62 0.06 0.00 -0.52 0.00 0.00 55.73 54.75 3ix9 s ARG 124 Cb -0.05 -2.13 -0.06 0.00 0.52 0.00 0.00 34.95 33.22 3ix9 s ARG 124 CO 0.04 -0.40 0.02 0.14 0.02 0.00 0.00 175.30 175.12 3ix9 s VAL 125 N 1.54 1.83 -0.17 3.52 -7.23 -1.26 -5.08 120.40 113.56 3ix9 s VAL 125 Ca 0.01 -1.98 -0.14 0.00 -1.81 0.00 0.00 61.98 58.05 3ix9 s VAL 125 Cb -0.15 -2.81 -0.05 0.00 0.56 0.00 0.00 36.38 33.93 3ix9 s VAL 125 CO -0.08 0.00 0.31 -0.70 -0.31 0.00 0.00 175.10 174.32 3ix9 s GLU 126 N -3.76 4.25 0.07 4.82 -6.30 -1.26 -4.98 118.70 111.53 3ix9 s GLU 126 Ca 0.29 0.12 -0.05 0.00 -2.50 0.00 0.00 54.97 52.82 3ix9 s GLU 126 Cb 0.08 -3.45 -0.02 0.00 0.00 0.00 0.00 34.13 30.74 3ix9 s GLU 126 CO 0.15 0.19 0.09 0.20 0.02 0.00 0.00 175.26 175.91 3ix9 s GLY 127 N 0.58 0.25 0.00 -1.50 0.00 -1.26 -4.84 107.32 100.55 3ix9 s GLY 127 Ca 0.17 -0.85 0.13 0.00 0.00 0.00 0.00 44.72 44.16 3ix9 s GLY 127 CO 0.05 -1.00 0.75 2.09 0.00 0.00 0.00 173.10 174.99 3ix9 n ASP 128 N 0.09 1.48 -3.87 1.64 5.68 -0.17 -4.95 116.55 116.44 3ix9 n ASP 128 Ca -0.15 -1.24 -0.20 0.00 -0.50 0.00 0.00 54.79 52.70 3ix9 n ASP 128 Cb 0.61 0.41 -0.16 0.00 -1.14 0.00 0.00 41.12 40.84 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 -1.54 0.50 0.24 2.12 2.01 -0.77 -5.00 115.64 113.19 3ix9 s THR 129 Ca 0.11 -0.08 0.10 0.00 0.31 0.00 0.00 61.69 62.13 3ix9 s THR 129 Cb 0.10 -0.54 -0.05 0.00 0.01 0.00 0.00 72.50 72.03 3ix9 s THR 129 CO 0.30 0.22 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.02 3ix9 s TYR 130 N 1.03 2.49 0.49 4.92 2.02 -1.26 -1.01 117.35 126.03 3ix9 s TYR 130 Ca -0.09 -0.28 -0.24 0.00 -0.37 0.00 0.00 57.07 56.09 3ix9 s TYR 130 Cb -0.14 -1.14 -0.07 0.00 -0.40 0.00 0.00 41.96 40.21 3ix9 s TYR 130 CO -0.01 0.61 1.41 0.12 -1.57 0.00 0.00 175.55 176.11 3ix9 s PHE 131 N -2.13 2.36 -0.32 2.71 5.36 0.10 -4.79 117.98 121.27 3ix9 s PHE 131 Ca 0.28 1.29 -0.35 0.00 -0.96 0.00 0.00 56.93 57.19 3ix9 s PHE 131 Cb -0.07 -3.90 -0.11 0.00 -0.34 0.00 0.00 43.02 38.61 3ix9 s PHE 131 CO 0.16 -3.00 2.16 -2.30 -1.46 0.00 0.00 175.22 170.77 3ix9 n PRO 132 N -0.55 1.22 0.26 10.12 -0.02 -1.26 -4.83 135.00 139.93 3ix9 n PRO 132 Ca 0.07 0.34 0.09 0.00 -2.02 0.00 0.00 63.50 61.99 3ix9 n PRO 132 Cb 0.43 -2.53 0.68 0.00 -0.02 0.00 0.00 33.50 32.06 3ix9 n PRO 132 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ix9 h ALA 133 N 12.29 1.79 -0.00 3.55 0.00 -1.98 -1.38 119.26 133.52 3ix9 h ALA 133 Ca -0.30 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3ix9 h ALA 133 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3ix9 h ALA 133 CO 1.01 0.06 -0.02 -0.85 0.00 0.00 0.00 179.25 179.45 3ix9 n GLU 134 N -4.28 0.54 -1.98 0.00 0.00 -1.26 -4.83 120.64 108.82 3ix9 n GLU 134 Ca -0.03 -0.03 -0.42 0.00 0.00 0.00 0.00 57.16 56.68 3ix9 n GLU 134 Cb 0.13 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.04 3ix9 n GLU 134 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 3ix9 s PHE 135 N -2.49 2.27 -0.96 -1.84 2.19 -0.52 -4.91 117.98 111.71 3ix9 s PHE 135 Ca 0.31 0.30 -0.21 0.00 0.33 0.00 0.00 56.93 57.66 3ix9 s PHE 135 Cb 0.20 -3.92 0.09 0.00 -1.31 0.00 0.00 43.02 38.08 3ix9 s PHE 135 CO 0.45 -3.75 1.28 0.34 1.83 0.00 0.00 175.22 175.37 3ix9 s ASP 136 N 2.76 6.53 0.03 6.13 -1.08 -1.26 -4.83 116.67 124.96 3ix9 s ASP 136 Ca 0.73 -1.67 0.21 0.00 -0.52 0.00 0.00 52.55 51.30 3ix9 s ASP 136 Cb -0.36 -2.49 0.86 0.00 -1.46 0.00 0.00 42.92 39.47 3ix9 s ASP 136 CO 0.31 -1.32 1.65 0.18 0.52 0.00 0.00 175.17 176.51 3ix9 n LEU 137 N 7.81 0.10 0.24 -1.34 7.99 -1.26 -3.46 117.00 127.09 3ix9 n LEU 137 Ca 0.27 0.52 0.12 0.00 -0.01 0.00 0.00 56.01 56.90 3ix9 n LEU 137 Cb 0.50 -0.50 0.60 0.00 -0.11 0.00 0.00 43.42 43.91 3ix9 n LEU 137 CO 0.59 -0.20 0.89 0.77 -1.51 0.00 0.00 177.39 177.93 3ix9 h SER 138 N 0.00 0.00 0.10 -1.43 4.64 -2.02 -2.35 113.55 112.49 3ix9 h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ix9 h SER 138 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3ix9 h SER 138 CO 0.00 0.17 0.00 0.18 -0.87 0.00 0.00 176.83 176.31 3ix9 n LEU 139 N -3.45 0.00 -4.59 5.97 7.99 -1.22 -4.76 117.00 116.94 3ix9 n LEU 139 Ca -0.01 0.08 -0.25 0.00 -0.01 0.00 0.00 56.01 55.81 3ix9 n LEU 139 Cb 0.34 -0.08 -0.09 0.00 -0.11 0.00 0.00 43.42 43.49 3ix9 n LEU 139 CO 0.31 -0.03 -0.39 -0.36 -1.51 0.00 0.00 177.39 175.42 3ix9 s PHE 140 N -2.15 2.63 -0.03 -1.77 0.08 -0.89 0.18 117.98 116.03 3ix9 s PHE 140 Ca 0.28 -0.23 0.03 0.00 0.12 0.00 0.00 56.93 57.13 3ix9 s PHE 140 Cb 0.14 -1.24 0.00 0.00 -0.57 0.00 0.00 43.02 41.35 3ix9 s PHE 140 CO 0.26 0.56 -0.11 -1.83 -0.10 0.00 0.00 175.22 173.99 3ix9 s GLU 141 N -3.11 1.15 -0.02 0.44 -1.05 0.82 -4.79 118.70 112.13 3ix9 s GLU 141 Ca 0.27 -0.37 -0.30 0.00 -0.15 0.00 0.00 54.97 54.42 3ix9 s GLU 141 Cb -0.08 -1.05 -0.06 0.00 -0.44 0.00 0.00 34.13 32.51 3ix9 s GLU 141 CO 0.17 0.14 1.58 0.99 0.95 0.00 0.00 175.26 179.09 3ix9 s THR 142 N 0.17 3.51 -0.17 1.83 2.01 -1.26 -0.91 115.64 120.82 3ix9 s THR 142 Ca -0.03 0.77 0.18 0.00 0.31 0.00 0.00 61.69 62.92 3ix9 s THR 142 Cb -0.09 -3.50 -0.26 0.00 0.01 0.00 0.00 72.50 68.66 3ix9 s THR 142 CO 0.01 -0.04 0.13 1.33 -0.69 0.00 0.00 174.62 175.36 3ix9 n VAL 143 N 5.12 1.14 -3.55 3.82 0.24 0.18 -4.94 118.33 120.34 3ix9 n VAL 143 Ca 0.16 -0.78 -0.07 0.00 -2.04 0.00 0.00 64.34 61.61 3ix9 n VAL 143 Cb 0.42 -0.40 -0.02 0.00 -1.47 0.00 0.00 33.84 32.38 3ix9 n VAL 143 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3ix9 s SER 144 N -5.26 -0.31 0.22 -1.34 1.04 -1.10 -5.01 113.70 101.94 3ix9 s SER 144 Ca -0.09 -0.05 -0.23 0.00 0.48 0.00 0.00 55.95 56.06 3ix9 s SER 144 Cb 0.07 0.36 0.04 0.00 0.10 0.00 0.00 66.02 66.60 3ix9 s SER 144 CO 0.82 -0.60 0.75 -0.94 0.98 0.00 0.00 173.24 174.25 3ix9 s SER 145 N -2.51 -0.31 -0.17 7.02 1.04 -1.26 -0.48 113.70 117.02 3ix9 s SER 145 Ca 0.07 -0.42 -0.15 0.00 0.48 0.00 0.00 55.95 55.93 3ix9 s SER 145 Cb -0.01 0.64 0.05 0.00 0.10 0.00 0.00 66.02 66.79 3ix9 s SER 145 CO -0.07 -1.15 0.44 -0.75 0.98 0.00 0.00 173.24 172.70 3ix9 s LYS 146 N -3.72 0.50 -0.12 4.02 2.20 -0.68 -4.98 119.74 116.96 3ix9 s LYS 146 Ca 0.09 0.65 -0.14 0.00 -0.36 0.00 0.00 55.97 56.21 3ix9 s LYS 146 Cb -0.04 0.21 -0.05 0.00 -1.51 0.00 0.00 37.83 36.45 3ix9 s LYS 146 CO 0.01 -0.08 0.33 0.12 -0.36 0.00 0.00 175.35 175.38 3ix9 s PHE 147 N 0.43 3.53 -0.27 4.03 5.36 -1.26 -1.78 117.98 128.00 3ix9 s PHE 147 Ca -0.02 0.71 -0.02 0.00 -0.96 0.00 0.00 56.93 56.64 3ix9 s PHE 147 Cb -0.04 -2.34 0.03 0.00 -0.34 0.00 0.00 43.02 40.34 3ix9 s PHE 147 CO -0.02 0.34 -0.02 0.71 -1.46 0.00 0.00 175.22 174.77 3ix9 s TYR 148 N 0.11 3.15 0.14 10.12 2.02 0.04 -5.02 117.35 127.91 3ix9 s TYR 148 Ca 0.19 -1.61 -0.30 0.00 -0.37 0.00 0.00 57.07 54.97 3ix9 s TYR 148 Cb -0.14 -2.10 -0.07 0.00 -0.40 0.00 0.00 41.96 39.25 3ix9 s TYR 148 CO 0.07 -0.74 1.21 0.99 -1.57 0.00 0.00 175.55 175.50 3ix9 s THR 149 N 1.32 3.72 0.96 -0.71 2.01 -1.26 -2.28 115.64 119.40 3ix9 s THR 149 Ca -0.02 1.36 -0.11 0.00 0.31 0.00 0.00 61.69 63.23 3ix9 s THR 149 Cb -0.18 -3.87 0.17 0.00 0.01 0.00 0.00 72.50 68.64 3ix9 s THR 149 CO -0.02 0.17 1.12 -1.59 -0.69 0.00 0.00 174.62 173.61 3ix9 s LYS 150 N 0.27 0.63 0.00 4.92 -2.85 -1.26 -4.93 119.74 116.52 3ix9 s LYS 150 Ca 0.55 1.41 0.00 0.00 -1.00 0.00 0.00 55.97 56.93 3ix9 s LYS 150 Cb -0.32 -1.69 0.00 0.00 -2.06 0.00 0.00 37.83 33.76 3ix9 s LYS 150 CO 0.34 -2.85 0.00 -0.40 0.10 0.00 0.00 175.35 172.54 3ix9 n ASP 151 N -4.37 0.00 -0.02 0.03 5.68 -0.48 -4.98 116.55 112.40 3ix9 n ASP 151 Ca 0.10 -0.83 -0.09 0.00 -0.50 0.00 0.00 54.79 53.46 3ix9 n ASP 151 Cb 0.52 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.48 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 -0.30 0.00 0.11 4.57 -1.98 -2.59 114.58 114.39 3ix9 h GLU 152 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3ix9 h GLU 152 Cb 0.00 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 3ix9 h GLU 152 CO 0.00 -0.20 -0.02 1.63 -1.18 0.00 0.00 179.01 179.24 3ix9 n LYS 153 N -5.39 0.19 -3.45 1.92 5.02 -1.26 -4.32 118.16 110.88 3ix9 n LYS 153 Ca -0.02 0.15 -0.27 0.00 -2.02 0.00 0.00 58.31 56.16 3ix9 n LYS 153 Cb 0.30 -1.72 -0.10 0.00 -0.02 0.00 0.00 35.03 33.50 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 -2.05 0.55 0.07 4.39 3.02 -0.99 -4.35 115.26 115.89 3ix9 n ASN 154 Ca 0.06 -2.66 0.03 0.00 -0.03 0.00 0.00 54.58 51.98 3ix9 n ASN 154 Cb 0.41 -0.61 0.17 0.00 -0.61 0.00 0.00 39.78 39.13 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 2.27 0.04 -4.99 3.52 -0.04 -1.15 -1.39 135.00 133.26 3ix9 n PRO 155 Ca 0.26 0.44 -0.27 0.00 -0.04 0.00 0.00 63.50 63.89 3ix9 n PRO 155 Cb 0.46 -1.81 -0.16 0.00 -0.04 0.00 0.00 33.50 31.95 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 -2.97 1.89 0.70 0.54 2.02 -1.26 -4.84 117.35 113.43 3ix9 s TYR 156 Ca -0.01 -0.45 -0.13 0.00 -0.37 0.00 0.00 57.07 56.11 3ix9 s TYR 156 Cb 0.02 -1.24 0.02 0.00 -0.40 0.00 0.00 41.96 40.36 3ix9 s TYR 156 CO 0.06 -0.10 1.10 -0.51 -1.57 0.00 0.00 175.55 174.52 3ix9 s ASP 157 N -0.27 4.94 0.06 2.29 1.01 -1.26 -4.41 116.67 119.03 3ix9 s ASP 157 Ca 0.02 1.93 -0.21 0.00 0.71 0.00 0.00 52.55 55.00 3ix9 s ASP 157 Cb -0.10 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.34 3ix9 s ASP 157 CO 0.01 -1.75 0.50 0.72 0.21 0.00 0.00 175.17 174.87 3ix9 s PHE 158 N -2.55 -0.39 0.02 4.23 -0.71 -0.97 -1.28 117.98 116.33 3ix9 s PHE 158 Ca 0.65 0.38 0.07 0.00 -1.04 0.00 0.00 56.93 56.99 3ix9 s PHE 158 Cb -0.19 0.34 -0.02 0.00 -1.21 0.00 0.00 43.02 41.93 3ix9 s PHE 158 CO 0.46 -0.66 -0.22 0.99 -1.34 0.00 0.00 175.22 174.46 3ix9 s THR 159 N -2.67 1.75 -0.19 -4.49 2.01 -0.24 -0.78 115.64 111.03 3ix9 s THR 159 Ca -0.04 -1.13 -0.01 0.00 0.31 0.00 0.00 61.69 60.82 3ix9 s THR 159 Cb -0.00 -1.49 0.00 0.00 0.01 0.00 0.00 72.50 71.02 3ix9 s THR 159 CO -0.04 0.33 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.47 3ix9 s ILE 160 N -0.70 2.80 -0.10 1.82 1.01 -0.74 0.48 121.20 125.78 3ix9 s ILE 160 Ca 0.08 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.04 3ix9 s ILE 160 Cb -0.09 -2.23 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 3ix9 s ILE 160 CO 0.01 0.48 -0.11 -1.10 0.00 0.00 0.00 174.94 174.22 3ix9 s GLN 161 N 1.22 3.06 -0.25 2.79 -0.21 0.25 -1.69 119.66 124.83 3ix9 s GLN 161 Ca 0.02 -0.64 -0.07 0.00 0.02 0.00 0.00 55.36 54.69 3ix9 s GLN 161 Cb -0.14 -2.59 -0.03 0.00 1.00 0.00 0.00 33.01 31.25 3ix9 s GLN 161 CO -0.05 0.41 0.06 0.71 -2.12 0.00 0.00 175.29 174.30 3ix9 s TYR 162 N -0.16 3.07 -0.09 0.91 2.02 0.36 -0.94 117.35 122.52 3ix9 s TYR 162 Ca 0.00 -0.47 0.01 0.00 -0.37 0.00 0.00 57.07 56.24 3ix9 s TYR 162 Cb -0.13 -2.23 0.02 0.00 -0.40 0.00 0.00 41.96 39.22 3ix9 s TYR 162 CO 0.03 -0.38 -0.10 1.03 -1.57 0.00 0.00 175.55 174.56 3ix9 s ARG 163 N 1.60 1.67 0.21 -0.62 0.52 -0.06 0.50 118.95 122.78 3ix9 s ARG 163 Ca 0.06 -0.35 0.02 0.00 -0.52 0.00 0.00 55.73 54.93 3ix9 s ARG 163 Cb -0.15 -1.54 -0.04 0.00 0.52 0.00 0.00 34.95 33.74 3ix9 s ARG 163 CO 0.03 -0.12 0.37 0.15 0.02 0.00 0.00 175.30 175.75 3ix9 s LYS 164 N 1.19 3.48 -0.07 3.54 1.02 -0.09 -0.83 119.74 127.98 3ix9 s LYS 164 Ca -0.04 -0.50 -0.30 0.00 0.02 0.00 0.00 55.97 55.15 3ix9 s LYS 164 Cb -0.14 -2.86 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 3ix9 s LYS 164 CO -0.03 0.41 1.51 0.50 -0.92 0.00 0.00 175.35 176.82 3ix9 s ARG 165 N -3.56 4.21 0.27 1.68 3.52 -0.83 -0.13 118.95 124.12 3ix9 s ARG 165 Ca 0.37 2.02 -0.30 0.00 -0.13 0.00 0.00 55.73 57.68 3ix9 s ARG 165 Cb -0.10 -3.85 -0.13 0.00 -1.56 0.00 0.00 34.95 29.31 3ix9 s ARG 165 CO 0.30 -0.76 1.42 1.63 -0.81 0.00 0.00 175.30 177.07 3ix9 n LYS 166 N 6.68 2.20 0.00 5.12 5.02 0.13 -4.90 118.16 132.40 3ix9 n LYS 166 Ca 0.16 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 57.23 3ix9 n LYS 166 Cb 0.43 -2.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.00 3ix9 n LYS 166 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27