#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iu3 s LEU 2 N 0.00 4.27 -0.40 -4.62 1.02 -1.26 -0.38 118.68 117.31 3iu3 s LEU 2 Ca 0.00 0.79 -0.28 0.00 0.02 0.00 0.00 54.13 54.65 3iu3 s LEU 2 Cb 0.00 -2.67 -0.00 0.00 0.02 0.00 0.00 46.19 43.54 3iu3 s LEU 2 CO 0.00 0.01 1.60 0.00 0.02 0.00 0.00 176.35 177.97 3iu3 n ASP 4 N 9.70 0.41 -4.28 0.00 10.43 -1.26 -4.45 116.55 127.10 3iu3 n ASP 4 Ca 0.19 0.55 -0.24 0.00 2.57 0.00 0.00 54.79 57.87 3iu3 n ASP 4 Cb 0.48 -0.66 -0.12 0.00 1.84 0.00 0.00 41.12 42.66 3iu3 n ASP 4 CO 0.00 0.00 0.00 1.51 -1.07 0.00 0.00 177.20 177.64 3iu3 s ASP 5 N -3.76 2.49 0.35 -2.24 -4.77 -1.26 -5.12 116.67 102.36 3iu3 s ASP 5 Ca 0.10 -0.69 -0.10 0.00 -3.30 0.00 0.00 52.55 48.56 3iu3 s ASP 5 Cb 0.14 -0.13 -0.07 0.00 -1.09 0.00 0.00 42.92 41.77 3iu3 s ASP 5 CO 0.50 0.05 0.70 1.51 0.70 0.00 0.00 175.17 178.63 3iu3 s ASP 6 N -1.92 6.56 0.76 2.11 1.47 -1.26 -4.94 116.67 119.45 3iu3 s ASP 6 Ca 0.06 1.06 -0.15 0.00 1.18 0.00 0.00 52.55 54.70 3iu3 s ASP 6 Cb -0.10 -2.29 0.01 0.00 -0.34 0.00 0.00 42.92 40.20 3iu3 s ASP 6 CO 0.04 -0.29 0.86 -2.65 0.68 0.00 0.00 175.17 173.80 3iu3 n PRO 7 N -0.94 0.32 -2.02 2.11 -0.02 -1.26 -4.94 135.00 128.26 3iu3 n PRO 7 Ca 0.02 0.17 -0.39 0.00 -2.02 0.00 0.00 63.50 61.27 3iu3 n PRO 7 Cb 0.54 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 3iu3 n PRO 7 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3iu3 s PRO 8 N -3.37 3.84 0.15 0.52 0.04 -1.26 -5.01 135.00 129.91 3iu3 s PRO 8 Ca 0.70 2.16 -0.27 0.00 0.04 0.00 0.00 61.00 63.63 3iu3 s PRO 8 Cb -0.32 -2.67 -0.07 0.00 0.04 0.00 0.00 34.50 31.48 3iu3 s PRO 8 CO 0.54 -0.60 0.83 -1.21 0.04 0.00 0.00 177.00 176.59 3iu3 s GLU 9 N -2.37 4.63 -0.11 4.56 2.02 -1.26 -5.06 118.70 121.11 3iu3 s GLU 9 Ca 0.59 1.24 0.03 0.00 0.02 0.00 0.00 54.97 56.85 3iu3 s GLU 9 Cb -0.38 -3.30 0.01 0.00 0.10 0.00 0.00 34.13 30.56 3iu3 s GLU 9 CO 0.48 0.46 -0.18 0.42 0.02 0.00 0.00 175.26 176.46 3iu3 s ILE 10 N -0.78 1.70 0.24 -1.63 1.01 -1.26 -5.04 121.20 115.44 3iu3 s ILE 10 Ca 0.39 -0.78 0.16 0.00 0.00 0.00 0.00 60.65 60.41 3iu3 s ILE 10 Cb -0.23 -1.52 0.26 0.00 0.01 0.00 0.00 42.46 40.98 3iu3 s ILE 10 CO 0.27 0.48 0.95 -2.65 0.00 0.00 0.00 174.94 173.99 3iu3 n PRO 11 N 3.93 -0.03 0.00 2.79 -0.02 -1.26 -0.87 135.00 139.54 3iu3 n PRO 11 Ca -0.20 0.79 0.01 0.00 -2.02 0.00 0.00 63.50 62.09 3iu3 n PRO 11 Cb 0.52 -1.49 -0.01 0.00 -0.02 0.00 0.00 33.50 32.50 3iu3 n PRO 11 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3iu3 n HIS 12 N -4.12 0.00 -3.52 6.00 8.25 -1.26 -5.06 115.22 115.51 3iu3 n HIS 12 Ca 0.24 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.32 3iu3 n HIS 12 Cb 0.86 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.91 3iu3 n HIS 12 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3iu3 s ALA 13 N -1.07 3.71 -0.20 -1.41 0.00 -0.05 -1.18 121.76 121.57 3iu3 s ALA 13 Ca 0.02 -0.26 -0.00 0.00 0.00 0.00 0.00 51.96 51.72 3iu3 s ALA 13 Cb 0.02 -2.35 0.02 0.00 0.00 0.00 0.00 23.12 20.81 3iu3 s ALA 13 CO 0.10 0.50 -0.15 0.99 0.00 0.00 0.00 175.76 177.20 3iu3 s THR 14 N -1.13 2.39 0.09 0.00 2.01 -0.38 -4.57 115.64 114.05 3iu3 s THR 14 Ca 0.25 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.36 3iu3 s THR 14 Cb -0.16 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 3iu3 s THR 14 CO 0.14 0.45 0.20 0.72 -0.69 0.00 0.00 174.62 175.45 3iu3 s PHE 15 N 1.32 3.44 0.01 4.92 -0.71 -1.26 -0.78 117.98 124.92 3iu3 s PHE 15 Ca 0.04 0.18 -0.28 0.00 -1.04 0.00 0.00 56.93 55.83 3iu3 s PHE 15 Cb -0.14 -1.70 0.09 0.00 -1.21 0.00 0.00 43.02 40.05 3iu3 s PHE 15 CO -0.10 0.56 0.74 -1.59 -1.34 0.00 0.00 175.22 173.49 3iu3 s LYS 16 N -2.71 1.01 -0.14 1.99 -2.85 -0.08 -4.93 119.74 112.04 3iu3 s LYS 16 Ca 0.34 -0.11 -0.06 0.00 -1.00 0.00 0.00 55.97 55.14 3iu3 s LYS 16 Cb -0.12 0.47 -0.04 0.00 -2.06 0.00 0.00 37.83 36.08 3iu3 s LYS 16 CO 0.27 -0.39 0.06 0.00 0.10 0.00 0.00 175.35 175.39 3iu3 s ALA 17 N -2.41 3.48 -0.30 0.59 0.00 -1.26 -0.19 121.76 121.67 3iu3 s ALA 17 Ca -0.02 -0.74 0.23 0.00 0.00 0.00 0.00 51.96 51.43 3iu3 s ALA 17 Cb -0.01 -1.81 0.45 0.00 0.00 0.00 0.00 23.12 21.75 3iu3 s ALA 17 CO -0.03 0.39 1.64 0.52 0.00 0.00 0.00 175.76 178.29 3iu3 h MET 18 N 5.88 0.00 -4.27 0.00 0.00 -1.98 -3.44 114.93 111.12 3iu3 h MET 18 Ca -0.45 0.00 -0.43 0.00 0.00 0.00 0.00 59.70 58.82 3iu3 h MET 18 Cb 1.19 0.00 -0.33 0.00 0.00 0.00 0.00 31.60 32.46 3iu3 h MET 18 CO 0.63 0.09 -0.78 0.00 0.00 0.00 0.00 176.91 176.85 3iu3 s ALA 19 N -3.25 0.83 -0.21 6.32 0.00 -1.26 -4.57 121.76 119.63 3iu3 s ALA 19 Ca 0.06 -0.19 -0.07 0.00 0.00 0.00 0.00 51.96 51.75 3iu3 s ALA 19 Cb 0.06 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 3iu3 s ALA 19 CO 0.67 0.06 0.06 0.71 0.00 0.00 0.00 175.76 177.26 3iu3 s TYR 20 N 0.66 3.16 0.65 0.00 1.51 -0.67 -4.88 117.35 117.79 3iu3 s TYR 20 Ca -0.10 -0.15 -0.15 0.00 -1.01 0.00 0.00 57.07 55.65 3iu3 s TYR 20 Cb -0.13 -2.15 -0.00 0.00 -0.11 0.00 0.00 41.96 39.57 3iu3 s TYR 20 CO 0.01 -0.09 1.10 0.15 -1.11 0.00 0.00 175.55 175.62 3iu3 s LYS 21 N 0.94 2.85 0.08 -0.62 1.02 -1.26 0.69 119.74 123.44 3iu3 s LYS 21 Ca 0.04 1.36 -0.31 0.00 0.02 0.00 0.00 55.97 57.08 3iu3 s LYS 21 Cb -0.14 -1.96 -0.09 0.00 -0.52 0.00 0.00 37.83 35.12 3iu3 s LYS 21 CO 0.03 -1.21 1.83 -1.21 -0.92 0.00 0.00 175.35 173.87 3iu3 s GLU 22 N -4.12 4.15 0.00 1.68 2.02 -1.26 -2.27 118.70 118.91 3iu3 s GLU 22 Ca 0.66 2.54 0.00 0.00 0.02 0.00 0.00 54.97 58.19 3iu3 s GLU 22 Cb -0.20 -3.77 0.00 0.00 0.10 0.00 0.00 34.13 30.26 3iu3 s GLU 22 CO 0.41 -0.86 0.00 0.41 0.02 0.00 0.00 175.26 175.25 3iu3 n GLY 23 N 4.28 1.38 3.77 -1.39 0.00 0.90 -4.98 105.19 109.15 3iu3 n GLY 23 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3iu3 n GLY 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iu3 s THR 24 N -2.02 3.03 0.01 2.61 -4.23 -0.96 -4.82 115.64 109.27 3iu3 s THR 24 Ca 0.00 1.04 0.09 0.00 -1.18 0.00 0.00 61.69 61.64 3iu3 s THR 24 Cb 0.00 -3.66 -0.03 0.00 1.34 0.00 0.00 72.50 70.15 3iu3 s THR 24 CO 0.00 0.25 -0.26 -0.04 -0.54 0.00 0.00 174.62 174.03 3iu3 s MET 25 N -1.65 1.96 -0.15 3.99 -1.94 -0.86 -1.84 119.30 118.81 3iu3 s MET 25 Ca 0.47 -1.02 0.00 0.00 -1.71 0.00 0.00 55.69 53.43 3iu3 s MET 25 Cb -0.37 -2.02 0.03 0.00 2.01 0.00 0.00 34.83 34.48 3iu3 s MET 25 CO 0.48 0.54 -0.10 -1.17 -0.01 0.00 0.00 175.02 174.76 3iu3 s LEU 26 N -0.96 1.64 0.25 -0.03 2.96 -0.17 -0.30 118.68 122.06 3iu3 s LEU 26 Ca 0.11 -0.55 -0.30 0.00 -0.22 0.00 0.00 54.13 53.18 3iu3 s LEU 26 Cb -0.10 -1.05 -0.10 0.00 0.50 0.00 0.00 46.19 45.45 3iu3 s LEU 26 CO 0.01 -0.12 1.36 0.20 -1.32 0.00 0.00 176.35 176.48 3iu3 s ASN 27 N 1.56 6.78 -1.12 3.68 0.02 -1.17 0.30 114.94 124.98 3iu3 s ASN 27 Ca 0.03 2.57 -0.19 0.00 -1.02 0.00 0.00 52.86 54.24 3iu3 s ASN 27 Cb -0.14 -2.62 0.09 0.00 0.02 0.00 0.00 41.25 38.59 3iu3 s ASN 27 CO -0.09 -0.59 1.49 0.00 0.02 0.00 0.00 177.10 177.93 3iu3 s GLU 29 N 3.91 3.81 0.12 0.00 2.02 -1.26 -4.89 118.70 122.41 3iu3 s GLU 29 Ca 0.46 -0.42 0.02 0.00 0.02 0.00 0.00 54.97 55.05 3iu3 s GLU 29 Cb 0.00 -3.18 -0.04 0.00 0.10 0.00 0.00 34.13 31.02 3iu3 s GLU 29 CO -0.03 0.13 0.21 0.00 0.02 0.00 0.00 175.26 175.60 3iu3 s LYS 31 N -2.90 1.01 0.45 0.00 2.20 -1.25 -4.89 119.74 114.36 3iu3 s LYS 31 Ca 0.33 0.55 0.32 0.00 -0.36 0.00 0.00 55.97 56.81 3iu3 s LYS 31 Cb -0.12 -1.80 1.44 0.00 -1.51 0.00 0.00 37.83 35.84 3iu3 s LYS 31 CO 0.27 -2.34 1.64 0.00 -0.36 0.00 0.00 175.35 174.55 3iu3 h ARG 32 N -1.61 0.09 -0.58 4.03 3.08 -1.99 -2.08 114.38 115.31 3iu3 h ARG 32 Ca -0.51 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 59.58 3iu3 h ARG 32 Cb 1.31 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.29 3iu3 h ARG 32 CO 0.58 0.06 0.31 0.78 -1.07 0.00 0.00 179.97 180.63 3iu3 h GLY 33 N 0.09 0.83 -2.81 0.04 0.00 -2.00 -3.45 103.07 95.77 3iu3 h GLY 33 Ca 0.80 -0.22 -0.45 0.00 0.00 0.00 0.00 47.33 47.47 3iu3 h GLY 33 CO -0.34 0.14 -0.74 -1.36 0.00 0.00 0.00 176.54 174.24 3iu3 s PHE 34 N -6.12 1.65 0.41 5.60 0.40 -0.78 -5.16 117.98 113.98 3iu3 s PHE 34 Ca -0.13 -0.57 0.08 0.00 -0.60 0.00 0.00 56.93 55.71 3iu3 s PHE 34 Cb 0.15 -0.79 -0.04 0.00 0.51 0.00 0.00 43.02 42.85 3iu3 s PHE 34 CO 0.75 0.31 0.27 1.03 0.70 0.00 0.00 175.22 178.27 3iu3 s ARG 35 N -3.40 2.39 0.69 0.44 0.52 -1.26 -4.36 118.95 113.96 3iu3 s ARG 35 Ca 0.19 -1.66 -0.16 0.00 -0.52 0.00 0.00 55.73 53.58 3iu3 s ARG 35 Cb -0.02 -2.19 0.02 0.00 0.52 0.00 0.00 34.95 33.28 3iu3 s ARG 35 CO 0.06 -0.12 1.24 -0.98 0.02 0.00 0.00 175.30 175.51 3iu3 s ARG 36 N -4.00 2.34 0.30 3.54 1.70 -1.26 -4.68 118.95 116.88 3iu3 s ARG 36 Ca 0.44 1.89 -0.29 0.00 -0.47 0.00 0.00 55.73 57.30 3iu3 s ARG 36 Cb -0.00 -1.84 -0.10 0.00 -0.57 0.00 0.00 34.95 32.44 3iu3 s ARG 36 CO 0.25 -1.71 1.28 0.42 -1.08 0.00 0.00 175.30 174.46 3iu3 s ILE 37 N -1.72 2.91 0.10 4.99 1.01 -1.25 -4.94 121.20 122.31 3iu3 s ILE 37 Ca 0.78 0.89 -0.34 0.00 0.00 0.00 0.00 60.65 61.97 3iu3 s ILE 37 Cb -0.33 -3.56 -0.14 0.00 0.01 0.00 0.00 42.46 38.44 3iu3 s ILE 37 CO 0.42 0.20 1.61 1.17 0.00 0.00 0.00 174.94 178.34 3iu3 n LYS 38 N 1.21 2.05 -2.19 2.79 4.81 -1.26 -0.67 118.16 124.89 3iu3 n LYS 38 Ca 0.01 0.74 -0.19 0.00 -0.87 0.00 0.00 58.31 58.00 3iu3 n LYS 38 Cb 0.42 -2.51 -0.03 0.00 0.02 0.00 0.00 35.03 32.94 3iu3 n LYS 38 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3iu3 n SER 39 N 3.92 -5.28 -1.27 3.14 3.41 -1.26 -5.00 113.62 111.28 3iu3 n SER 39 Ca 0.18 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 3iu3 n SER 39 Cb 0.28 -4.48 0.00 0.00 -0.26 0.00 0.00 64.21 59.74 3iu3 n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iu3 n GLY 40 N -0.80 0.74 3.86 5.00 0.00 0.15 -5.11 105.19 109.03 3iu3 n GLY 40 Ca -0.21 -1.38 -0.26 0.00 0.00 0.00 0.00 46.02 44.17 3iu3 n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iu3 s SER 41 N -1.04 4.62 0.00 1.61 1.04 -1.26 -5.06 113.70 113.61 3iu3 s SER 41 Ca 0.00 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.26 3iu3 s SER 41 Cb 0.00 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.25 3iu3 s SER 41 CO 0.00 -0.93 0.00 0.00 0.98 0.00 0.00 173.24 173.29 3iu3 n LEU 42 N -1.61 0.00 -3.96 2.42 -0.00 -1.26 -4.89 117.00 107.71 3iu3 n LEU 42 Ca -0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.91 3iu3 n LEU 42 Cb 0.64 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.98 3iu3 n LEU 42 CO 0.41 0.00 -0.21 -0.72 -0.00 0.00 0.00 177.39 176.86 3iu3 s TYR 43 N -0.69 0.30 -0.12 1.47 -0.85 -1.26 -0.91 117.35 115.29 3iu3 s TYR 43 Ca 0.00 -0.76 -0.04 0.00 -0.52 0.00 0.00 57.07 55.75 3iu3 s TYR 43 Cb 0.00 -0.20 -0.03 0.00 0.38 0.00 0.00 41.96 42.11 3iu3 s TYR 43 CO 0.00 -0.46 0.02 -1.64 -1.52 0.00 0.00 175.55 171.95 3iu3 s MET 44 N -3.74 3.36 -0.16 -3.49 -1.94 0.15 -4.65 119.30 108.82 3iu3 s MET 44 Ca 0.05 -0.39 0.01 0.00 -1.71 0.00 0.00 55.69 53.65 3iu3 s MET 44 Cb 0.05 -2.94 0.02 0.00 2.01 0.00 0.00 34.83 33.97 3iu3 s MET 44 CO -0.10 0.54 -0.19 -1.17 -0.01 0.00 0.00 175.02 174.09 3iu3 s LEU 45 N -0.40 2.02 -0.27 -0.03 1.98 -1.26 -1.00 118.68 119.71 3iu3 s LEU 45 Ca 0.08 -0.60 -0.28 0.00 -2.89 0.00 0.00 54.13 50.44 3iu3 s LEU 45 Cb -0.12 -1.40 0.01 0.00 0.66 0.00 0.00 46.19 45.34 3iu3 s LEU 45 CO 0.02 0.00 1.03 0.00 -1.89 0.00 0.00 176.35 175.51 3iu3 n THR 47 N 5.56 0.00 0.00 0.00 5.66 -0.45 -0.07 114.28 124.99 3iu3 n THR 47 Ca 0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 3iu3 n THR 47 Cb 0.47 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.25 3iu3 n THR 47 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3iu3 n GLY 48 N 0.00 3.70 0.00 1.09 0.00 -1.26 -1.40 105.19 107.33 3iu3 n GLY 48 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 3iu3 n GLY 48 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3iu3 n ASN 49 N 0.00 -0.37 0.13 1.61 0.23 -1.11 -4.94 115.26 110.82 3iu3 n ASN 49 Ca 0.00 -0.51 0.12 0.00 -0.53 0.00 0.00 54.58 53.67 3iu3 n ASN 49 Cb 0.00 0.00 0.50 0.00 -2.08 0.00 0.00 39.78 38.20 3iu3 n ASN 49 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3iu3 n SER 50 N -2.08 0.70 -0.06 0.53 3.41 -1.26 -4.03 113.62 110.83 3iu3 n SER 50 Ca 0.00 0.67 -0.12 0.00 -0.26 0.00 0.00 58.87 59.16 3iu3 n SER 50 Cb 0.00 -0.82 -0.04 0.00 -0.26 0.00 0.00 64.21 63.09 3iu3 n SER 50 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3iu3 n SER 51 N -2.27 1.10 -4.70 4.04 3.41 -1.26 -5.06 113.62 108.88 3iu3 n SER 51 Ca 0.02 0.18 -0.30 0.00 -0.26 0.00 0.00 58.87 58.51 3iu3 n SER 51 Cb 0.24 -0.44 -0.08 0.00 -0.26 0.00 0.00 64.21 63.67 3iu3 n SER 51 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3iu3 s HIS 52 N -2.30 3.02 -0.06 7.33 3.76 -1.26 -4.85 115.29 120.94 3iu3 s HIS 52 Ca -0.18 -0.01 0.02 0.00 -0.15 0.00 0.00 55.06 54.74 3iu3 s HIS 52 Cb 0.06 -1.56 0.02 0.00 1.11 0.00 0.00 32.58 32.21 3iu3 s HIS 52 CO 0.24 0.49 -0.08 0.45 -0.85 0.00 0.00 174.74 174.98 3iu3 s SER 53 N -2.29 1.42 0.33 1.40 0.15 -1.26 -2.74 113.70 110.71 3iu3 s SER 53 Ca 0.26 -0.22 -0.14 0.00 0.70 0.00 0.00 55.95 56.55 3iu3 s SER 53 Cb -0.12 -0.65 0.03 0.00 -1.71 0.00 0.00 66.02 63.57 3iu3 s SER 53 CO 0.18 -0.01 0.67 -0.94 1.20 0.00 0.00 173.24 174.34 3iu3 s SER 54 N 0.83 0.09 0.31 5.45 1.04 -0.49 -4.80 113.70 116.13 3iu3 s SER 54 Ca -0.12 -1.05 -0.13 0.00 0.48 0.00 0.00 55.95 55.13 3iu3 s SER 54 Cb -0.15 0.75 -0.08 0.00 0.10 0.00 0.00 66.02 66.64 3iu3 s SER 54 CO 0.02 -1.46 0.69 0.26 0.98 0.00 0.00 173.24 173.72 3iu3 s TRP 55 N -3.07 3.39 0.00 5.02 0.52 -1.26 -1.33 118.94 122.21 3iu3 s TRP 55 Ca 0.18 1.12 0.00 0.00 0.02 0.00 0.00 56.10 57.42 3iu3 s TRP 55 Cb -0.04 -2.46 0.00 0.00 -1.15 0.00 0.00 33.47 29.82 3iu3 s TRP 55 CO 0.12 0.12 0.00 -3.47 0.02 0.00 0.00 176.95 173.74 3iu3 n ASP 56 N -0.38 0.00 -4.40 2.95 4.64 -0.07 -4.94 116.55 114.35 3iu3 n ASP 56 Ca 0.03 0.23 -0.24 0.00 -1.38 0.00 0.00 54.79 53.43 3iu3 n ASP 56 Cb 0.53 -0.29 0.13 0.00 -1.04 0.00 0.00 41.12 40.45 3iu3 n ASP 56 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 3iu3 n ASN 57 N -1.53 1.11 -3.92 1.67 3.02 -1.26 -4.98 115.26 109.37 3iu3 n ASN 57 Ca 0.00 -2.01 -0.19 0.00 -0.03 0.00 0.00 54.58 52.35 3iu3 n ASN 57 Cb 0.00 -0.71 -0.16 0.00 -0.61 0.00 0.00 39.78 38.30 3iu3 n ASN 57 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3iu3 s GLN 58 N -5.24 0.79 0.33 3.52 2.00 -1.26 -4.84 119.66 114.96 3iu3 s GLN 58 Ca 0.67 -0.15 -0.23 0.00 -2.00 0.00 0.00 55.36 53.66 3iu3 s GLN 58 Cb -0.03 -0.78 -0.10 0.00 0.80 0.00 0.00 33.01 32.90 3iu3 s GLN 58 CO 0.45 -0.02 0.89 0.00 -0.50 0.00 0.00 175.29 176.11 3iu3 s GLN 60 N -2.41 0.06 0.00 0.00 -0.21 -1.26 -4.98 119.66 110.85 3iu3 s GLN 60 Ca 0.52 -0.06 0.00 0.00 0.02 0.00 0.00 55.36 55.84 3iu3 s GLN 60 Cb -0.15 -0.02 0.00 0.00 1.00 0.00 0.00 33.01 33.84 3iu3 s GLN 60 CO 0.20 0.00 0.00 0.00 -2.12 0.00 0.00 175.29 173.37 3iu3 n PRO 101 N -1.05 0.00 0.00 0.00 -0.04 -1.26 -4.65 135.00 128.00 3iu3 n PRO 101 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3iu3 n PRO 101 Cb 0.16 -0.13 0.00 0.00 -0.04 0.00 0.00 33.50 33.49 3iu3 n PRO 101 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3iu3 n GLY 102 N 0.00 0.01 3.36 0.55 0.00 -1.26 -5.15 105.19 102.70 3iu3 n GLY 102 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 3iu3 n GLY 102 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3iu3 s HIS 103 N 0.00 1.79 0.59 1.61 3.76 -1.26 -3.98 115.29 117.80 3iu3 s HIS 103 Ca 0.00 -0.54 -0.02 0.00 -0.15 0.00 0.00 55.06 54.35 3iu3 s HIS 103 Cb 0.00 -0.82 0.03 0.00 1.11 0.00 0.00 32.58 32.90 3iu3 s HIS 103 CO 0.00 0.41 0.85 0.00 -0.85 0.00 0.00 174.74 175.15 3iu3 n ARG 105 N -2.51 0.74 -2.03 0.00 1.74 -1.26 -1.66 116.66 111.68 3iu3 n ARG 105 Ca 0.07 -2.34 -0.42 0.00 -0.77 0.00 0.00 57.85 54.39 3iu3 n ARG 105 Cb 0.59 -0.11 -0.03 0.00 -1.02 0.00 0.00 32.46 31.90 3iu3 n ARG 105 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3iu3 s GLU 106 N -3.90 4.27 0.51 5.56 2.56 -1.26 -4.77 118.70 121.67 3iu3 s GLU 106 Ca 0.42 2.27 -0.20 0.00 0.00 0.00 0.00 54.97 57.46 3iu3 s GLU 106 Cb -0.03 -3.15 -0.07 0.00 2.00 0.00 0.00 34.13 32.87 3iu3 s GLU 106 CO 0.26 -0.47 1.06 -2.14 -0.56 0.00 0.00 175.26 173.41 3iu3 s PRO 107 N 0.37 3.65 0.20 4.30 0.02 -1.26 -5.04 135.00 137.25 3iu3 s PRO 107 Ca 0.63 1.40 -0.28 0.00 0.02 0.00 0.00 61.00 62.78 3iu3 s PRO 107 Cb -0.41 -2.07 -0.08 0.00 0.02 0.00 0.00 34.50 31.95 3iu3 s PRO 107 CO 0.37 -0.57 0.86 -1.25 -0.33 0.00 0.00 177.00 176.08 3iu3 s PRO 108 N -3.34 4.72 1.00 5.54 0.05 -1.26 -5.05 135.00 136.66 3iu3 s PRO 108 Ca 0.68 1.34 -0.11 0.00 0.05 0.00 0.00 61.00 62.95 3iu3 s PRO 108 Cb -0.18 -3.27 0.19 0.00 0.05 0.00 0.00 34.50 31.29 3iu3 s PRO 108 CO 0.23 0.54 1.09 -2.14 0.05 0.00 0.00 177.00 176.77 3iu3 s PRO 109 N -1.16 0.38 0.00 0.56 0.02 -1.26 -5.00 135.00 128.55 3iu3 s PRO 109 Ca 0.39 1.07 0.00 0.00 0.02 0.00 0.00 61.00 62.47 3iu3 s PRO 109 Cb -0.25 -1.69 0.00 0.00 0.02 0.00 0.00 34.50 32.59 3iu3 s PRO 109 CO 0.29 -2.91 0.00 -2.67 -0.33 0.00 0.00 177.00 171.38 3iu3 n TRP 110 N -4.38 -0.07 0.00 6.54 2.14 -1.26 -5.06 117.44 115.34 3iu3 n TRP 110 Ca 0.07 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.64 3iu3 n TRP 110 Cb 0.54 0.06 0.00 0.00 -0.81 0.00 0.00 31.31 31.10 3iu3 n TRP 110 CO 0.00 0.00 0.00 -1.91 2.07 0.00 0.00 177.69 177.85 3iu3 n GLU 111 N -1.62 0.00 -4.35 -2.67 2.13 -1.26 -4.94 120.64 107.92 3iu3 n GLU 111 Ca 0.00 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.64 3iu3 n GLU 111 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 3iu3 n GLU 111 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3iu3 s ASN 112 N 0.00 1.66 0.41 4.31 2.20 -1.26 -3.90 114.94 118.36 3iu3 s ASN 112 Ca 0.00 -1.34 -0.25 0.00 -0.94 0.00 0.00 52.86 50.33 3iu3 s ASN 112 Cb 0.00 0.06 -0.10 0.00 -2.00 0.00 0.00 41.25 39.20 3iu3 s ASN 112 CO 0.00 -0.64 1.16 -0.62 -2.94 0.00 0.00 177.10 174.06 3iu3 n GLU 113 N -0.51 1.69 -0.50 3.55 4.71 -1.26 -4.88 120.64 123.44 3iu3 n GLU 113 Ca -0.02 0.60 0.05 0.00 -0.01 0.00 0.00 57.16 57.78 3iu3 n GLU 113 Cb 0.66 -2.23 0.25 0.00 -1.01 0.00 0.00 31.44 29.10 3iu3 n GLU 113 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3iu3 n ALA 114 N -0.28 3.19 -1.82 0.62 0.00 -1.26 -4.31 120.51 116.65 3iu3 n ALA 114 Ca 0.08 -1.13 -0.39 0.00 0.00 0.00 0.00 53.44 51.99 3iu3 n ALA 114 Cb 0.39 -1.06 -0.01 0.00 0.00 0.00 0.00 19.45 18.77 3iu3 n ALA 114 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3iu3 n THR 115 N 0.49 4.98 -0.40 0.00 -1.04 -1.26 -4.67 114.28 112.38 3iu3 n THR 115 Ca 0.17 -3.89 0.00 0.00 -2.04 0.00 0.00 64.05 58.29 3iu3 n THR 115 Cb 0.76 -2.18 0.00 0.00 -1.82 0.00 0.00 70.33 67.09 3iu3 n THR 115 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3iu3 n GLU 116 N 2.11 -1.15 -1.38 -2.82 1.02 -1.26 -4.61 120.64 112.54 3iu3 n GLU 116 Ca 0.66 0.15 0.18 0.00 -0.02 0.00 0.00 57.16 58.12 3iu3 n GLU 116 Cb 0.26 -3.35 -0.06 0.00 -0.02 0.00 0.00 31.44 28.27 3iu3 n GLU 116 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3iu3 n ARG 117 N 0.07 -2.86 -3.46 3.49 1.74 -1.26 -4.60 116.66 109.78 3iu3 n ARG 117 Ca 0.00 2.03 -0.43 0.00 -0.77 0.00 0.00 57.85 58.68 3iu3 n ARG 117 Cb 0.15 -3.47 -0.05 0.00 -1.02 0.00 0.00 32.46 28.07 3iu3 n ARG 117 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3iu3 s ILE 118 N -2.78 4.90 0.33 0.55 1.01 -1.26 -5.06 121.20 118.89 3iu3 s ILE 118 Ca 0.00 -2.40 -0.11 0.00 0.00 0.00 0.00 60.65 58.14 3iu3 s ILE 118 Cb 0.00 -4.10 -0.07 0.00 0.01 0.00 0.00 42.46 38.30 3iu3 s ILE 118 CO 0.00 -0.94 0.69 -0.31 0.00 0.00 0.00 174.94 174.38 3iu3 s TYR 119 N 0.42 3.43 -0.40 3.97 1.51 -1.26 -3.07 117.35 121.95 3iu3 s TYR 119 Ca 0.14 1.01 0.03 0.00 -1.01 0.00 0.00 57.07 57.25 3iu3 s TYR 119 Cb -0.17 -2.39 0.11 0.00 -0.11 0.00 0.00 41.96 39.40 3iu3 s TYR 119 CO -0.05 0.06 0.14 -1.58 -1.11 0.00 0.00 175.55 173.00 3iu3 s HIS 120 N -2.12 3.59 0.87 2.71 2.46 0.59 -4.98 115.29 118.41 3iu3 s HIS 120 Ca 0.50 -2.96 -0.12 0.00 0.47 0.00 0.00 55.06 52.95 3iu3 s HIS 120 Cb -0.10 -2.95 0.11 0.00 -0.13 0.00 0.00 32.58 29.51 3iu3 s HIS 120 CO 0.25 -0.90 1.13 -0.06 -2.47 0.00 0.00 174.74 172.69 3iu3 s PHE 121 N 0.60 2.64 0.35 3.88 0.40 -1.26 -2.03 117.98 122.57 3iu3 s PHE 121 Ca 0.12 0.94 0.08 0.00 -0.60 0.00 0.00 56.93 57.48 3iu3 s PHE 121 Cb -0.21 -3.31 -0.04 0.00 0.51 0.00 0.00 43.02 39.97 3iu3 s PHE 121 CO -0.05 -2.15 0.16 0.14 0.70 0.00 0.00 175.22 174.02 3iu3 s VAL 122 N -3.25 2.92 0.10 -0.44 -7.23 -1.26 -0.63 120.40 110.61 3iu3 s VAL 122 Ca 0.63 -1.68 -0.31 0.00 -1.81 0.00 0.00 61.98 58.81 3iu3 s VAL 122 Cb -0.14 -2.98 -0.08 0.00 0.56 0.00 0.00 36.38 33.73 3iu3 s VAL 122 CO 0.53 -0.15 1.50 -0.69 -0.31 0.00 0.00 175.10 175.99 3iu3 s VAL 123 N -2.45 3.11 0.00 1.32 1.01 0.49 -2.76 120.40 121.12 3iu3 s VAL 123 Ca 0.39 0.72 0.00 0.00 0.00 0.00 0.00 61.98 63.08 3iu3 s VAL 123 Cb -0.02 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.90 3iu3 s VAL 123 CO 0.23 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.97 3iu3 n GLY 124 N 3.71 0.87 3.72 4.51 0.00 0.36 -5.02 105.19 113.34 3iu3 n GLY 124 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3iu3 n GLY 124 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3iu3 s GLN 125 N -0.80 4.57 0.03 1.61 2.00 -1.11 -4.80 119.66 121.16 3iu3 s GLN 125 Ca 0.00 1.53 -0.07 0.00 -2.00 0.00 0.00 55.36 54.81 3iu3 s GLN 125 Cb 0.00 -3.40 -0.05 0.00 0.80 0.00 0.00 33.01 30.36 3iu3 s GLN 125 CO 0.00 -0.03 0.31 -1.64 -0.50 0.00 0.00 175.29 173.43 3iu3 s MET 126 N 0.68 3.63 -0.03 1.67 -1.94 -1.26 -1.85 119.30 120.21 3iu3 s MET 126 Ca 0.52 -0.01 0.03 0.00 -1.71 0.00 0.00 55.69 54.52 3iu3 s MET 126 Cb -0.24 -3.05 0.00 0.00 2.01 0.00 0.00 34.83 33.56 3iu3 s MET 126 CO 0.29 0.62 -0.10 0.14 -0.01 0.00 0.00 175.02 175.95 3iu3 s VAL 127 N -1.35 0.89 -0.11 -6.03 -7.23 -0.33 -4.44 120.40 101.82 3iu3 s VAL 127 Ca 0.30 -0.43 -0.01 0.00 -1.81 0.00 0.00 61.98 60.03 3iu3 s VAL 127 Cb -0.13 -0.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.99 3iu3 s VAL 127 CO 0.17 0.27 -0.04 -0.31 -0.31 0.00 0.00 175.10 174.88 3iu3 s TYR 128 N 0.13 3.01 -0.08 2.82 1.51 0.74 -1.71 117.35 123.76 3iu3 s TYR 128 Ca -0.02 -0.08 -0.07 0.00 -1.01 0.00 0.00 57.07 55.89 3iu3 s TYR 128 Cb -0.09 -1.82 -0.04 0.00 -0.11 0.00 0.00 41.96 39.90 3iu3 s TYR 128 CO 0.01 0.21 0.18 0.71 -1.11 0.00 0.00 175.55 175.55 3iu3 s TYR 129 N -0.36 3.60 -0.12 2.71 2.02 -1.15 -0.90 117.35 123.14 3iu3 s TYR 129 Ca 0.06 0.55 -0.02 0.00 -0.37 0.00 0.00 57.07 57.28 3iu3 s TYR 129 Cb -0.12 -1.96 0.04 0.00 -0.40 0.00 0.00 41.96 39.52 3iu3 s TYR 129 CO 0.02 0.70 0.02 -0.65 -1.57 0.00 0.00 175.55 174.08 3iu3 s GLN 130 N -1.26 0.59 0.14 -0.62 -0.21 0.04 -4.91 119.66 113.44 3iu3 s GLN 130 Ca 0.19 -0.10 -0.31 0.00 0.02 0.00 0.00 55.36 55.16 3iu3 s GLN 130 Cb -0.13 -1.45 -0.09 0.00 1.00 0.00 0.00 33.01 32.35 3iu3 s GLN 130 CO 0.08 -0.45 1.42 0.00 -2.12 0.00 0.00 175.29 174.22 3iu3 s VAL 132 N 0.92 3.27 -0.69 0.00 1.01 -0.32 -3.69 120.40 120.90 3iu3 s VAL 132 Ca 0.64 0.77 -0.05 0.00 0.00 0.00 0.00 61.98 63.34 3iu3 s VAL 132 Cb -0.38 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.51 3iu3 s VAL 132 CO 0.32 0.02 0.66 1.67 0.00 0.00 0.00 175.10 177.77 3iu3 n GLN 133 N 5.00 -1.59 -0.16 2.72 0.00 -1.26 -4.32 117.38 117.77 3iu3 n GLN 133 Ca 0.14 1.45 -0.07 0.00 -0.00 0.00 0.00 57.00 58.52 3iu3 n GLN 133 Cb 0.42 -4.81 -0.02 0.00 0.00 0.00 0.00 30.24 25.83 3iu3 n GLN 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3iu3 n GLY 134 N -1.39 -0.02 0.64 1.69 0.00 -1.24 -4.92 105.19 99.95 3iu3 n GLY 134 Ca -0.05 0.14 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 3iu3 n GLY 134 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3iu3 n TYR 135 N 0.99 0.00 -3.33 1.61 4.19 -1.26 -5.06 117.16 114.30 3iu3 n TYR 135 Ca 0.07 0.00 -0.09 0.00 3.31 0.00 0.00 57.90 61.19 3iu3 n TYR 135 Cb -0.00 -0.22 -0.07 0.00 0.49 0.00 0.00 39.34 39.54 3iu3 n TYR 135 CO 0.00 0.00 0.00 -0.98 0.91 0.00 0.00 176.86 176.79 3iu3 s ARG 136 N -2.38 0.38 -0.91 2.98 3.03 -1.26 -5.00 118.95 115.79 3iu3 s ARG 136 Ca -0.12 0.36 -0.00 0.00 2.03 0.00 0.00 55.73 58.00 3iu3 s ARG 136 Cb 0.02 -0.38 0.33 0.00 -1.03 0.00 0.00 34.95 33.89 3iu3 s ARG 136 CO 0.18 -0.82 1.70 0.00 -1.13 0.00 0.00 175.30 175.24 3iu3 n ALA 137 N 5.36 5.90 -1.77 7.88 0.00 -1.26 -5.02 120.51 131.60 3iu3 n ALA 137 Ca -0.02 -4.54 -0.41 0.00 0.00 0.00 0.00 53.44 48.47 3iu3 n ALA 137 Cb 0.50 -1.88 -0.01 0.00 0.00 0.00 0.00 19.45 18.06 3iu3 n ALA 137 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3iu3 s LEU 138 N -4.14 4.33 -1.30 0.00 2.96 -1.26 -2.63 118.68 116.64 3iu3 s LEU 138 Ca 0.43 3.00 -0.12 0.00 -0.22 0.00 0.00 54.13 57.21 3iu3 s LEU 138 Cb 0.25 -3.65 0.00 0.00 0.50 0.00 0.00 46.19 43.29 3iu3 s LEU 138 CO -0.18 -0.88 0.55 1.57 -1.32 0.00 0.00 176.35 176.09 3iu3 n HIS 139 N 1.16 -1.66 -1.46 5.38 -0.00 -1.26 -4.85 115.22 112.53 3iu3 n HIS 139 Ca 0.04 0.53 -0.35 0.00 0.46 0.00 0.00 57.72 58.40 3iu3 n HIS 139 Cb 0.39 -3.42 0.09 0.00 -0.12 0.00 0.00 29.99 26.93 3iu3 n HIS 139 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 3iu3 s ARG 140 N -6.57 2.15 0.00 1.57 1.04 -1.08 -5.02 118.95 111.05 3iu3 s ARG 140 Ca 0.23 1.84 0.00 0.00 -1.04 0.00 0.00 55.73 56.77 3iu3 s ARG 140 Cb -0.10 -1.82 0.00 0.00 -2.04 0.00 0.00 34.95 30.99 3iu3 s ARG 140 CO 0.90 -1.85 0.00 0.41 -0.04 0.00 0.00 175.30 174.72 3iu3 n GLY 141 N 0.55 2.24 3.72 3.88 0.00 -1.26 -5.14 105.19 109.18 3iu3 n GLY 141 Ca 0.14 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 3iu3 n GLY 141 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3iu3 s PRO 142 N 1.38 4.48 -0.79 1.61 0.02 -1.26 -5.01 135.00 135.43 3iu3 s PRO 142 Ca 0.00 1.77 -0.07 0.00 0.02 0.00 0.00 61.00 62.73 3iu3 s PRO 142 Cb 0.00 -3.31 0.20 0.00 0.02 0.00 0.00 34.50 31.41 3iu3 s PRO 142 CO 0.00 -0.14 0.67 0.00 -0.33 0.00 0.00 177.00 177.20 3iu3 s ALA 143 N 0.53 3.98 0.17 -1.55 0.00 -1.26 -5.03 121.76 118.60 3iu3 s ALA 143 Ca 0.55 -3.47 -0.13 0.00 0.00 0.00 0.00 51.96 48.92 3iu3 s ALA 143 Cb -0.30 -3.04 0.01 0.00 0.00 0.00 0.00 23.12 19.79 3iu3 s ALA 143 CO 0.32 -2.18 0.38 -1.83 0.00 0.00 0.00 175.76 172.45 3iu3 s GLU 144 N -0.39 1.24 -0.21 0.00 -1.05 -1.26 -2.95 118.70 114.08 3iu3 s GLU 144 Ca 0.21 -1.03 -0.16 0.00 -0.15 0.00 0.00 54.97 53.84 3iu3 s GLU 144 Cb -0.14 0.44 0.06 0.00 -0.44 0.00 0.00 34.13 34.05 3iu3 s GLU 144 CO -0.07 -0.48 0.53 0.45 0.95 0.00 0.00 175.26 176.63 3iu3 s SER 145 N -2.92 -0.62 -0.08 0.83 0.15 -0.70 -4.37 113.70 106.00 3iu3 s SER 145 Ca 0.13 1.11 0.02 0.00 0.70 0.00 0.00 55.95 57.91 3iu3 s SER 145 Cb 0.02 1.06 -0.02 0.00 -1.71 0.00 0.00 66.02 65.37 3iu3 s SER 145 CO -0.02 -0.20 -0.12 -0.69 1.20 0.00 0.00 173.24 173.41 3iu3 s VAL 146 N 0.80 3.20 -0.18 4.45 1.01 -1.26 -1.18 120.40 127.24 3iu3 s VAL 146 Ca -0.04 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 3iu3 s VAL 146 Cb -0.05 -2.30 -0.00 0.00 0.00 0.00 0.00 36.38 34.03 3iu3 s VAL 146 CO -0.06 0.57 1.06 0.00 0.00 0.00 0.00 175.10 176.67 3iu3 s LYS 148 N 2.83 0.99 -0.87 0.00 1.02 0.29 -0.49 119.74 123.52 3iu3 s LYS 148 Ca 0.47 -0.96 -0.20 0.00 0.02 0.00 0.00 55.97 55.30 3iu3 s LYS 148 Cb -0.17 -1.08 0.10 0.00 -0.52 0.00 0.00 37.83 36.16 3iu3 s LYS 148 CO 0.11 0.26 1.13 1.41 -0.92 0.00 0.00 175.35 177.34 3iu3 s MET 149 N -1.57 3.47 -0.39 1.68 -2.45 -1.26 -2.01 119.30 116.77 3iu3 s MET 149 Ca 0.02 -1.43 -0.05 0.00 -1.25 0.00 0.00 55.69 52.99 3iu3 s MET 149 Cb -0.09 -4.79 0.09 0.00 1.25 0.00 0.00 34.83 31.29 3iu3 s MET 149 CO 0.02 -1.84 0.19 -0.08 1.05 0.00 0.00 175.02 174.36 3iu3 s THR 150 N 3.36 3.55 -1.18 10.11 -1.32 -0.67 -4.69 115.64 124.80 3iu3 s THR 150 Ca 0.32 -1.73 -0.08 0.00 -1.21 0.00 0.00 61.69 58.99 3iu3 s THR 150 Cb -0.07 -3.27 0.01 0.00 -1.51 0.00 0.00 72.50 67.65 3iu3 s THR 150 CO -0.04 -0.53 1.03 1.41 -2.21 0.00 0.00 174.62 174.27 3iu3 n HIS 151 N 4.71 -2.50 0.00 9.09 8.25 -1.26 -2.84 115.22 130.67 3iu3 n HIS 151 Ca -0.07 0.88 0.00 0.00 -0.26 0.00 0.00 57.72 58.27 3iu3 n HIS 151 Cb 0.42 -4.51 0.00 0.00 1.12 0.00 0.00 29.99 27.02 3iu3 n HIS 151 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3iu3 n GLY 152 N -1.80 2.73 3.74 -1.41 0.00 -1.26 -5.00 105.19 102.19 3iu3 n GLY 152 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3iu3 n GLY 152 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iu3 s LYS 153 N -0.03 4.44 -0.13 1.61 2.47 -1.13 -5.05 119.74 121.92 3iu3 s LYS 153 Ca 0.00 0.94 -0.20 0.00 -1.56 0.00 0.00 55.97 55.15 3iu3 s LYS 153 Cb 0.00 -3.38 -0.04 0.00 -1.46 0.00 0.00 37.83 32.96 3iu3 s LYS 153 CO 0.00 0.26 0.56 0.95 0.16 0.00 0.00 175.35 177.27 3iu3 s THR 154 N 0.10 5.12 0.17 3.43 -4.23 -1.26 -1.67 115.64 117.30 3iu3 s THR 154 Ca 0.36 1.11 -0.12 0.00 -1.18 0.00 0.00 61.69 61.86 3iu3 s THR 154 Cb -0.19 -3.89 0.00 0.00 1.34 0.00 0.00 72.50 69.76 3iu3 s THR 154 CO 0.20 0.26 0.35 -0.60 -0.54 0.00 0.00 174.62 174.29 3iu3 s ARG 155 N 0.97 1.20 0.34 3.99 3.52 -0.85 -4.48 118.95 123.64 3iu3 s ARG 155 Ca 0.29 -1.06 0.07 0.00 -0.13 0.00 0.00 55.73 54.90 3iu3 s ARG 155 Cb -0.16 0.42 -0.01 0.00 -1.56 0.00 0.00 34.95 33.64 3iu3 s ARG 155 CO 0.12 -0.46 0.46 -1.58 -0.81 0.00 0.00 175.30 173.03 3iu3 s TRP 156 N -3.93 3.07 -0.19 5.12 0.52 -1.26 -0.54 118.94 121.72 3iu3 s TRP 156 Ca 0.14 -0.24 0.16 0.00 0.02 0.00 0.00 56.10 56.17 3iu3 s TRP 156 Cb 0.02 -2.00 -0.23 0.00 -1.15 0.00 0.00 33.47 30.11 3iu3 s TRP 156 CO -0.02 -0.02 0.04 2.41 0.02 0.00 0.00 176.95 179.38 3iu3 n THR 157 N -1.63 1.32 -0.99 2.01 -1.04 -1.13 -4.93 114.28 107.89 3iu3 n THR 157 Ca 0.00 -0.78 0.00 0.00 -2.04 0.00 0.00 64.05 61.23 3iu3 n THR 157 Cb 0.58 -0.57 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 3iu3 n THR 157 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10