#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 4.19 -0.25 -1.84 1.43 -1.26 -0.37 118.68 120.57 3iu3 s LEU 2 Ca 0.00 0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 53.09 3iu3 s LEU 2 Cb 0.00 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 3iu3 s LEU 2 CO 0.00 0.25 1.72 0.00 0.23 0.00 0.00 176.35 178.55 3iu3 n ASP 4 N 9.21 0.93 -4.34 0.00 8.00 -1.26 -4.49 116.55 124.60 3iu3 n ASP 4 Ca 0.21 -2.01 -0.31 0.00 0.71 0.00 0.00 54.79 53.39 3iu3 n ASP 4 Cb 0.46 -0.13 -0.15 0.00 -0.02 0.00 0.00 41.12 41.27 3iu3 n ASP 4 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3iu3 s ASP 5 N -0.96 3.17 0.26 -2.24 3.68 -1.26 -5.09 116.67 114.23 3iu3 s ASP 5 Ca 0.11 -0.49 -0.17 0.00 2.13 0.00 0.00 52.55 54.13 3iu3 s ASP 5 Cb 0.06 -0.36 -0.08 0.00 -1.45 0.00 0.00 42.92 41.08 3iu3 s ASP 5 CO 0.07 0.30 0.71 -1.81 0.13 0.00 0.00 175.17 174.58 3iu3 s ASP 6 N -0.85 6.91 0.57 -0.34 1.11 -1.26 -4.95 116.67 117.86 3iu3 s ASP 6 Ca 0.11 1.33 -0.21 0.00 0.18 0.00 0.00 52.55 53.96 3iu3 s ASP 6 Cb -0.10 -2.39 -0.04 0.00 1.07 0.00 0.00 42.92 41.46 3iu3 s ASP 6 CO 0.00 -0.07 1.35 -2.65 1.18 0.00 0.00 175.17 174.99 3iu3 n PRO 7 N 0.24 1.59 -2.02 8.23 -0.02 -1.26 -4.85 135.00 136.90 3iu3 n PRO 7 Ca 0.00 0.59 -0.41 0.00 -2.02 0.00 0.00 63.50 61.66 3iu3 n PRO 7 Cb 0.52 -2.57 -0.02 0.00 -0.02 0.00 0.00 33.50 31.40 3iu3 n PRO 7 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3iu3 s PRO 8 N -2.98 4.27 -0.72 0.52 0.02 -1.26 -4.96 135.00 129.89 3iu3 s PRO 8 Ca 0.74 2.29 -0.22 0.00 0.02 0.00 0.00 61.00 63.83 3iu3 s PRO 8 Cb -0.41 -3.11 0.08 0.00 0.02 0.00 0.00 34.50 31.09 3iu3 s PRO 8 CO 0.47 -0.40 0.99 -1.21 -0.33 0.00 0.00 177.00 176.52 3iu3 s GLU 9 N -0.46 3.22 -0.09 5.54 0.41 -1.26 -5.02 118.70 121.04 3iu3 s GLU 9 Ca 0.59 -1.06 -0.16 0.00 -0.41 0.00 0.00 54.97 53.92 3iu3 s GLU 9 Cb -0.42 -4.40 -0.05 0.00 -1.78 0.00 0.00 34.13 27.49 3iu3 s GLU 9 CO 0.44 -1.80 0.42 0.42 -0.49 0.00 0.00 175.26 174.25 3iu3 s ILE 10 N 3.71 5.17 0.33 -1.63 1.01 -1.26 -5.05 121.20 123.47 3iu3 s ILE 10 Ca 0.24 0.83 -0.29 0.00 0.00 0.00 0.00 60.65 61.43 3iu3 s ILE 10 Cb -0.15 -3.75 -0.12 0.00 0.01 0.00 0.00 42.46 38.46 3iu3 s ILE 10 CO 0.05 0.42 1.44 -2.65 0.00 0.00 0.00 174.94 174.20 3iu3 n PRO 11 N 3.10 2.43 -2.55 2.79 -0.02 -1.26 -2.65 135.00 136.83 3iu3 n PRO 11 Ca -0.10 0.86 -0.20 0.00 -2.02 0.00 0.00 63.50 62.03 3iu3 n PRO 11 Cb 0.52 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 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 0.93 -1.22 -4.12 6.00 8.25 -1.26 -5.00 115.22 118.80 3iu3 n HIS 12 Ca 0.05 0.14 -0.15 0.00 -0.26 0.00 0.00 57.72 57.51 3iu3 n HIS 12 Cb 0.37 -4.00 -0.13 0.00 1.12 0.00 0.00 29.99 27.35 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 -3.04 0.48 -0.15 -1.41 0.00 -1.09 -4.19 121.76 112.37 3iu3 s ALA 13 Ca 0.08 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 51.63 3iu3 s ALA 13 Cb -0.04 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.05 3iu3 s ALA 13 CO 0.10 0.06 -0.20 -0.08 0.00 0.00 0.00 175.76 175.64 3iu3 s THR 14 N -0.60 1.94 -0.21 0.00 -1.32 -0.98 -4.79 115.64 109.68 3iu3 s THR 14 Ca -0.03 -0.90 -0.09 0.00 -1.21 0.00 0.00 61.69 59.47 3iu3 s THR 14 Cb -0.05 -1.74 -0.04 0.00 -1.51 0.00 0.00 72.50 69.16 3iu3 s THR 14 CO 0.00 0.53 0.11 0.72 -2.21 0.00 0.00 174.62 173.77 3iu3 s PHE 15 N 1.00 3.29 -0.01 9.09 -0.71 -1.26 -1.47 117.98 127.91 3iu3 s PHE 15 Ca -0.03 0.13 -0.01 0.00 -1.04 0.00 0.00 56.93 55.98 3iu3 s PHE 15 Cb -0.15 -2.18 0.01 0.00 -1.21 0.00 0.00 43.02 39.49 3iu3 s PHE 15 CO -0.05 0.10 0.03 0.15 -1.34 0.00 0.00 175.22 174.11 3iu3 s LYS 16 N 0.75 0.03 0.15 1.99 3.01 -0.67 -4.93 119.74 120.06 3iu3 s LYS 16 Ca 0.06 0.06 -0.20 0.00 -1.01 0.00 0.00 55.97 54.88 3iu3 s LYS 16 Cb -0.13 -0.01 -0.07 0.00 -1.01 0.00 0.00 37.83 36.61 3iu3 s LYS 16 CO 0.02 -0.02 0.66 0.00 0.51 0.00 0.00 175.35 176.52 3iu3 s ALA 17 N 0.12 3.50 -0.13 5.17 0.00 -1.26 -0.56 121.76 128.61 3iu3 s ALA 17 Ca -0.01 0.13 -0.26 0.00 0.00 0.00 0.00 51.96 51.83 3iu3 s ALA 17 Cb -0.01 -2.76 -0.26 0.00 0.00 0.00 0.00 23.12 20.09 3iu3 s ALA 17 CO -0.00 0.36 0.72 1.98 0.00 0.00 0.00 175.76 178.82 3iu3 h MET 18 N 4.03 0.08 -4.79 0.00 4.05 -1.97 -3.46 114.93 112.87 3iu3 h MET 18 Ca -0.48 -0.14 -0.58 0.00 -0.28 0.00 0.00 59.70 58.22 3iu3 h MET 18 Cb 1.20 0.05 -0.34 0.00 -0.80 0.00 0.00 31.60 31.71 3iu3 h MET 18 CO 0.65 1.07 -0.84 0.00 0.23 0.00 0.00 176.91 178.02 3iu3 s ALA 19 N -2.30 1.66 -0.10 0.39 0.00 -1.26 -4.47 121.76 115.69 3iu3 s ALA 19 Ca -0.19 -0.69 -0.21 0.00 0.00 0.00 0.00 51.96 50.87 3iu3 s ALA 19 Cb -0.01 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 3iu3 s ALA 19 CO 0.71 0.02 0.59 0.71 0.00 0.00 0.00 175.76 177.80 3iu3 s TYR 20 N 0.81 3.54 0.44 0.00 1.51 -0.68 -4.85 117.35 118.12 3iu3 s TYR 20 Ca -0.10 1.07 -0.22 0.00 -1.01 0.00 0.00 57.07 56.80 3iu3 s TYR 20 Cb -0.16 -2.69 -0.08 0.00 -0.11 0.00 0.00 41.96 38.92 3iu3 s TYR 20 CO 0.01 0.11 1.07 0.21 -1.11 0.00 0.00 175.55 175.84 3iu3 s LYS 21 N 0.76 3.95 -0.20 -0.62 2.20 -1.26 -0.41 119.74 124.15 3iu3 s LYS 21 Ca 0.32 1.51 -0.28 0.00 -0.36 0.00 0.00 55.97 57.15 3iu3 s LYS 21 Cb -0.16 -2.35 -0.05 0.00 -1.51 0.00 0.00 37.83 33.76 3iu3 s LYS 21 CO 0.14 -0.33 2.17 -2.00 -0.36 0.00 0.00 175.35 174.97 3iu3 s GLU 22 N -2.81 3.23 0.00 4.03 2.12 -1.26 -2.28 118.70 121.74 3iu3 s GLU 22 Ca 0.62 2.04 0.00 0.00 0.36 0.00 0.00 54.97 57.99 3iu3 s GLU 22 Cb -0.21 -4.34 0.00 0.00 0.26 0.00 0.00 34.13 29.84 3iu3 s GLU 22 CO 0.26 -1.99 0.00 0.41 -0.54 0.00 0.00 175.26 173.40 3iu3 n GLY 23 N 5.63 0.52 3.77 -1.50 0.00 0.15 -4.98 105.19 108.77 3iu3 n GLY 23 Ca 0.28 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 3iu3 n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iu3 s THR 24 N -1.12 3.12 -0.16 2.61 2.01 -0.96 -4.79 115.64 116.34 3iu3 s THR 24 Ca 0.00 1.07 -0.00 0.00 0.31 0.00 0.00 61.69 63.06 3iu3 s THR 24 Cb 0.00 -3.65 -0.00 0.00 0.01 0.00 0.00 72.50 68.85 3iu3 s THR 24 CO 0.00 0.21 -0.14 -0.04 -0.69 0.00 0.00 174.62 173.96 3iu3 s MET 25 N -1.85 3.26 -0.30 4.92 -1.94 -0.77 -1.77 119.30 120.85 3iu3 s MET 25 Ca 0.50 -0.72 -0.04 0.00 -1.71 0.00 0.00 55.69 53.71 3iu3 s MET 25 Cb -0.34 -2.68 0.03 0.00 2.01 0.00 0.00 34.83 33.85 3iu3 s MET 25 CO 0.44 0.01 0.03 -1.17 -0.01 0.00 0.00 175.02 174.32 3iu3 s LEU 26 N 0.86 3.83 0.50 -0.03 2.96 -0.75 0.25 118.68 126.30 3iu3 s LEU 26 Ca -0.04 -1.00 -0.23 0.00 -0.22 0.00 0.00 54.13 52.65 3iu3 s LEU 26 Cb -0.15 -1.79 -0.06 0.00 0.50 0.00 0.00 46.19 44.69 3iu3 s LEU 26 CO -0.00 -0.23 1.26 0.20 -1.32 0.00 0.00 176.35 176.26 3iu3 s ASN 27 N 1.37 5.76 -0.44 3.68 0.02 -1.24 -0.88 114.94 123.22 3iu3 s ASN 27 Ca -0.01 2.54 -0.07 0.00 -1.02 0.00 0.00 52.86 54.31 3iu3 s ASN 27 Cb -0.18 -2.62 0.11 0.00 0.02 0.00 0.00 41.25 38.58 3iu3 s ASN 27 CO 0.00 -1.21 0.27 0.00 0.02 0.00 0.00 177.10 176.18 3iu3 s GLU 29 N 1.28 1.11 0.00 0.00 2.02 -1.26 -4.93 118.70 116.92 3iu3 s GLU 29 Ca 0.06 -1.31 0.00 0.00 0.02 0.00 0.00 54.97 53.74 3iu3 s GLU 29 Cb -0.24 -1.03 0.00 0.00 0.10 0.00 0.00 34.13 32.96 3iu3 s GLU 29 CO -0.02 0.20 0.00 0.00 0.02 0.00 0.00 175.26 175.46 3iu3 n ARG 36 N -1.37 0.00 -3.56 0.00 1.74 -1.26 -4.68 116.66 107.52 3iu3 n ARG 36 Ca 0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 3iu3 n ARG 36 Cb 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.47 3iu3 n ARG 36 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 3iu3 n ILE 37 N 0.00 -3.67 0.00 0.55 3.06 -1.26 -4.84 119.36 113.19 3iu3 n ILE 37 Ca 0.00 0.05 0.00 0.00 -2.50 0.00 0.00 62.75 60.30 3iu3 n ILE 37 Cb 0.00 -3.34 0.00 0.00 0.54 0.00 0.00 39.64 36.84 3iu3 n ILE 37 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 3iu3 n LYS 38 N -0.69 0.00 0.00 9.51 4.81 -1.26 -4.61 118.16 125.92 3iu3 n LYS 38 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 3iu3 n LYS 38 Cb 0.69 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.74 3iu3 n LYS 38 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3iu3 n SER 39 N 0.00 0.00 -3.00 3.14 7.64 -1.26 -4.55 113.62 115.58 3iu3 n SER 39 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 3iu3 n SER 39 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 3iu3 n SER 39 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iu3 n GLY 40 N 0.00 0.68 0.22 0.23 0.00 -1.26 -5.13 105.19 99.93 3iu3 n GLY 40 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 3iu3 n GLY 40 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3iu3 n SER 41 N -1.19 -0.30 0.00 1.61 2.88 -1.26 -4.88 113.62 110.48 3iu3 n SER 41 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 3iu3 n SER 41 Cb 0.50 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 3iu3 n SER 41 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3iu3 n LEU 42 N 0.00 0.40 -4.73 2.46 4.32 -1.26 -4.92 117.00 113.26 3iu3 n LEU 42 Ca 0.00 0.06 -0.32 0.00 -0.02 0.00 0.00 56.01 55.73 3iu3 n LEU 42 Cb 0.00 -0.24 -0.08 0.00 -1.62 0.00 0.00 43.42 41.48 3iu3 n LEU 42 CO 0.00 -0.24 -0.25 -0.72 -1.22 0.00 0.00 177.39 174.96 3iu3 s TYR 43 N -0.49 1.86 -0.10 -1.77 -0.85 -1.26 -1.81 117.35 112.93 3iu3 s TYR 43 Ca 0.00 -0.99 0.03 0.00 -0.52 0.00 0.00 57.07 55.59 3iu3 s TYR 43 Cb 0.00 -1.56 -0.00 0.00 0.38 0.00 0.00 41.96 40.78 3iu3 s TYR 43 CO 0.00 0.17 -0.22 -1.64 -1.52 0.00 0.00 175.55 172.34 3iu3 s MET 44 N -3.86 3.10 -0.22 -3.49 -1.94 -0.06 -4.68 119.30 108.17 3iu3 s MET 44 Ca 0.08 -0.85 -0.08 0.00 -1.71 0.00 0.00 55.69 53.13 3iu3 s MET 44 Cb 0.02 -2.35 -0.04 0.00 2.01 0.00 0.00 34.83 34.46 3iu3 s MET 44 CO 0.04 0.19 0.09 -1.17 -0.01 0.00 0.00 175.02 174.16 3iu3 s LEU 45 N 0.34 3.77 -0.56 -0.03 2.96 -1.26 -1.81 118.68 122.09 3iu3 s LEU 45 Ca -0.18 -0.00 -0.27 0.00 -0.22 0.00 0.00 54.13 53.46 3iu3 s LEU 45 Cb -0.18 -1.98 0.03 0.00 0.50 0.00 0.00 46.19 44.56 3iu3 s LEU 45 CO 0.08 0.08 1.12 0.00 -1.32 0.00 0.00 176.35 176.32 3iu3 s THR 47 N 4.62 0.02 -0.02 0.00 -1.32 -0.24 0.33 115.64 119.04 3iu3 s THR 47 Ca 0.40 -0.77 -0.30 0.00 -1.21 0.00 0.00 61.69 59.82 3iu3 s THR 47 Cb -0.09 -1.59 0.11 0.00 -1.51 0.00 0.00 72.50 69.42 3iu3 s THR 47 CO 0.25 -0.10 1.30 -0.83 -2.21 0.00 0.00 174.62 173.03 3iu3 s GLY 48 N -2.87 -0.29 0.06 6.08 0.00 -1.26 -2.28 107.32 106.75 3iu3 s GLY 48 Ca 0.09 0.42 -0.01 0.00 0.00 0.00 0.00 44.72 45.23 3iu3 s GLY 48 CO -0.02 2.55 0.07 1.16 0.00 0.00 0.00 173.10 176.86 3iu3 n ASN 49 N -0.75 -0.41 0.19 1.64 0.23 -1.23 -4.88 115.26 110.05 3iu3 n ASN 49 Ca -0.03 -0.84 0.15 0.00 -0.53 0.00 0.00 54.58 53.33 3iu3 n ASN 49 Cb 0.61 -0.06 0.75 0.00 -2.08 0.00 0.00 39.78 39.00 3iu3 n ASN 49 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3iu3 h SER 50 N -0.49 0.00 0.00 0.53 4.64 -2.06 -3.04 113.55 113.13 3iu3 h SER 50 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3iu3 h SER 50 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3iu3 h SER 50 CO 0.02 0.00 -0.64 -1.54 -0.87 0.00 0.00 176.83 173.79 3iu3 n SER 51 N -4.16 0.86 -4.37 4.97 3.41 -1.26 -5.06 113.62 108.01 3iu3 n SER 51 Ca 0.01 -0.60 -0.18 0.00 -0.26 0.00 0.00 58.87 57.84 3iu3 n SER 51 Cb 0.28 1.08 -0.10 0.00 -0.26 0.00 0.00 64.21 65.21 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 -2.07 1.71 -0.10 7.33 3.76 -1.15 -4.90 115.29 119.86 3iu3 s HIS 52 Ca 0.02 -1.08 -0.09 0.00 -0.15 0.00 0.00 55.06 53.76 3iu3 s HIS 52 Cb 0.07 -1.05 0.03 0.00 1.11 0.00 0.00 32.58 32.74 3iu3 s HIS 52 CO 0.41 -0.19 0.27 -1.12 -0.85 0.00 0.00 174.74 173.27 3iu3 s SER 53 N -3.38 -0.29 0.13 1.40 0.01 -1.26 -3.54 113.70 106.76 3iu3 s SER 53 Ca 0.37 0.56 -0.25 0.00 1.31 0.00 0.00 55.95 57.94 3iu3 s SER 53 Cb 0.08 0.54 0.07 0.00 0.21 0.00 0.00 66.02 66.92 3iu3 s SER 53 CO 0.14 -0.11 0.74 -0.55 0.41 0.00 0.00 173.24 173.87 3iu3 s SER 54 N 0.34 -0.43 0.02 2.44 0.15 -0.97 -4.89 113.70 110.37 3iu3 s SER 54 Ca -0.02 -0.13 -0.22 0.00 0.70 0.00 0.00 55.95 56.28 3iu3 s SER 54 Cb -0.03 0.54 -0.05 0.00 -1.71 0.00 0.00 66.02 64.77 3iu3 s SER 54 CO -0.01 -0.91 0.67 0.26 1.20 0.00 0.00 173.24 174.44 3iu3 s TRP 55 N -3.54 3.71 -0.05 3.44 0.52 -1.26 -1.07 118.94 120.68 3iu3 s TRP 55 Ca 0.05 1.32 -0.19 0.00 0.02 0.00 0.00 56.10 57.29 3iu3 s TRP 55 Cb -0.02 -2.70 -0.14 0.00 -1.15 0.00 0.00 33.47 29.47 3iu3 s TRP 55 CO -0.07 0.32 0.77 0.22 0.02 0.00 0.00 176.95 178.21 3iu3 h ASP 56 N 5.65 -0.22 -1.49 2.95 3.58 -0.93 -3.48 116.42 122.48 3iu3 h ASP 56 Ca -0.45 -0.28 -0.47 0.00 0.42 0.00 0.00 57.03 56.25 3iu3 h ASP 56 Cb 1.20 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 42.29 3iu3 h ASP 56 CO 0.70 0.32 -0.35 0.20 -2.88 0.00 0.00 179.24 177.24 3iu3 s ASN 57 N -5.40 5.20 0.10 2.28 0.02 -1.26 -4.99 114.94 110.89 3iu3 s ASN 57 Ca -0.11 -0.67 0.09 0.00 -1.02 0.00 0.00 52.86 51.15 3iu3 s ASN 57 Cb 0.00 -0.58 -0.04 0.00 0.02 0.00 0.00 41.25 40.65 3iu3 s ASN 57 CO 0.41 -0.68 -0.18 -1.10 0.02 0.00 0.00 177.10 175.56 3iu3 s GLN 58 N -4.19 1.82 -0.14 -0.60 -0.21 -1.26 -4.88 119.66 110.21 3iu3 s GLN 58 Ca 0.50 -1.15 0.01 0.00 0.02 0.00 0.00 55.36 54.74 3iu3 s GLN 58 Cb -0.05 -2.12 0.02 0.00 1.00 0.00 0.00 33.01 31.86 3iu3 s GLN 58 CO 0.29 0.49 -0.15 0.00 -2.12 0.00 0.00 175.29 173.80 3iu3 n GLN 60 N 4.59 0.33 -3.58 0.00 6.02 -1.26 -4.70 117.38 118.79 3iu3 n GLN 60 Ca -0.18 -3.01 -0.09 0.00 -0.01 0.00 0.00 57.00 53.71 3iu3 n GLN 60 Cb 0.50 -0.40 -0.02 0.00 1.02 0.00 0.00 30.24 31.34 3iu3 n GLN 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3iu3 n THR 62 N -0.38 0.00 -2.78 0.00 -1.04 -1.26 -4.68 114.28 104.15 3iu3 n THR 62 Ca -0.11 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.80 3iu3 n THR 62 Cb 0.62 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 69.21 3iu3 n THR 62 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3iu3 n SER 63 N 0.00 -2.03 0.00 8.00 2.88 -1.26 -4.84 113.62 116.38 3iu3 n SER 63 Ca 0.00 -3.63 0.00 0.00 -1.33 0.00 0.00 58.87 53.91 3iu3 n SER 63 Cb 0.00 1.68 0.00 0.00 -0.75 0.00 0.00 64.21 65.14 3iu3 n SER 63 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3iu3 n PRO 101 N 0.35 0.00 0.00 -1.46 -0.04 -1.26 -4.56 135.00 128.03 3iu3 n PRO 101 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 3iu3 n PRO 101 Cb 0.70 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 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 -1.55 1.81 3.43 0.55 0.00 -1.26 -5.11 105.19 103.05 3iu3 n GLY 102 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.46 2.02 0.28 1.61 3.76 -1.26 -4.12 115.29 116.12 3iu3 s HIS 103 Ca 0.00 -0.54 -0.06 0.00 -0.15 0.00 0.00 55.06 54.31 3iu3 s HIS 103 Cb 0.00 -1.02 -0.05 0.00 1.11 0.00 0.00 32.58 32.61 3iu3 s HIS 103 CO 0.00 0.45 0.56 0.00 -0.85 0.00 0.00 174.74 174.90 3iu3 s ARG 105 N -3.45 3.75 0.15 0.00 0.52 -1.26 -1.69 118.95 116.97 3iu3 s ARG 105 Ca 0.45 0.26 -0.34 0.00 -0.52 0.00 0.00 55.73 55.58 3iu3 s ARG 105 Cb -0.11 -2.57 -0.13 0.00 0.52 0.00 0.00 34.95 32.66 3iu3 s ARG 105 CO 0.29 0.18 1.62 -1.91 0.02 0.00 0.00 175.30 175.49 3iu3 n GLU 106 N -0.73 2.23 -2.24 3.54 2.13 -1.26 -4.91 120.64 119.40 3iu3 n GLU 106 Ca 0.00 0.80 -0.40 0.00 0.66 0.00 0.00 57.16 58.23 3iu3 n GLU 106 Cb 0.53 -2.59 -0.02 0.00 0.27 0.00 0.00 31.44 29.63 3iu3 n GLU 106 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3iu3 s PRO 107 N 1.18 4.31 0.27 5.31 0.04 -1.26 -5.00 135.00 139.86 3iu3 s PRO 107 Ca 0.79 2.01 -0.29 0.00 0.04 0.00 0.00 61.00 63.55 3iu3 s PRO 107 Cb -0.66 -2.97 -0.10 0.00 0.04 0.00 0.00 34.50 30.82 3iu3 s PRO 107 CO 0.38 -0.15 1.30 -1.25 0.04 0.00 0.00 177.00 177.32 3iu3 s PRO 108 N -1.88 4.38 0.28 0.56 0.04 -1.26 -4.95 135.00 132.16 3iu3 s PRO 108 Ca 0.51 2.14 -0.30 0.00 0.04 0.00 0.00 61.00 63.38 3iu3 s PRO 108 Cb -0.35 -3.13 -0.13 0.00 0.04 0.00 0.00 34.50 30.93 3iu3 s PRO 108 CO 0.46 -0.20 1.38 -2.30 0.04 0.00 0.00 177.00 176.38 3iu3 n PRO 109 N 1.63 2.10 -2.86 0.56 -0.02 -1.26 -5.02 135.00 130.12 3iu3 n PRO 109 Ca 0.03 0.74 -0.21 0.00 -2.02 0.00 0.00 63.50 62.04 3iu3 n PRO 109 Cb 0.42 -2.38 0.08 0.00 -0.02 0.00 0.00 33.50 31.60 3iu3 n PRO 109 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3iu3 s TRP 110 N -0.40 1.43 0.28 6.00 -2.14 -1.26 -5.02 118.94 117.83 3iu3 s TRP 110 Ca 0.64 -0.57 0.02 0.00 2.66 0.00 0.00 56.10 58.85 3iu3 s TRP 110 Cb -0.61 -2.52 0.64 0.00 -3.10 0.00 0.00 33.47 27.88 3iu3 s TRP 110 CO 0.54 -1.40 1.75 0.93 -2.66 0.00 0.00 176.95 176.11 3iu3 h GLU 111 N -0.11 0.61 -2.91 3.25 5.08 -1.95 -3.38 114.58 115.17 3iu3 h GLU 111 Ca -0.32 -0.04 -0.37 0.00 -1.00 0.00 0.00 59.36 57.63 3iu3 h GLU 111 Cb 1.28 -0.14 -0.38 0.00 0.50 0.00 0.00 28.75 30.01 3iu3 h GLU 111 CO 0.40 0.41 -0.69 -0.80 -1.00 0.00 0.00 179.01 177.33 3iu3 s ASN 112 N -5.38 1.62 -0.11 1.42 0.01 -1.26 -5.09 114.94 106.16 3iu3 s ASN 112 Ca -0.12 -0.24 -0.05 0.00 -0.71 0.00 0.00 52.86 51.74 3iu3 s ASN 112 Cb 0.23 0.06 0.05 0.00 0.41 0.00 0.00 41.25 42.01 3iu3 s ASN 112 CO 0.79 -0.31 0.23 -1.83 -1.51 0.00 0.00 177.10 174.47 3iu3 s GLU 113 N 2.23 0.16 0.20 -0.60 -1.05 -1.26 -4.30 118.70 114.09 3iu3 s GLU 113 Ca 0.04 0.58 0.01 0.00 -0.15 0.00 0.00 54.97 55.45 3iu3 s GLU 113 Cb -0.15 -0.11 -0.04 0.00 -0.44 0.00 0.00 34.13 33.39 3iu3 s GLU 113 CO -0.09 -0.21 0.37 0.00 0.95 0.00 0.00 175.26 176.28 3iu3 s ALA 114 N 1.69 3.87 0.00 -0.84 0.00 -1.26 -5.04 121.76 120.18 3iu3 s ALA 114 Ca -0.05 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 50.97 3iu3 s ALA 114 Cb -0.11 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.09 3iu3 s ALA 114 CO -0.08 0.40 0.00 2.41 0.00 0.00 0.00 175.76 178.49 3iu3 n THR 115 N -0.81 0.00 -2.43 0.00 -1.04 -1.26 -4.50 114.28 104.24 3iu3 n THR 115 Ca -0.06 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.55 3iu3 n THR 115 Cb 0.54 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.01 3iu3 n THR 115 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3iu3 s GLU 116 N 0.00 4.55 0.25 -2.82 0.41 -1.26 -5.00 118.70 114.83 3iu3 s GLU 116 Ca 0.00 1.84 -0.30 0.00 -0.41 0.00 0.00 54.97 56.10 3iu3 s GLU 116 Cb 0.00 -3.11 -0.10 0.00 -1.78 0.00 0.00 34.13 29.14 3iu3 s GLU 116 CO 0.00 0.12 1.44 1.03 -0.49 0.00 0.00 175.26 177.36 3iu3 s ARG 117 N -1.59 4.27 -0.95 1.61 0.52 -1.26 -4.95 118.95 116.60 3iu3 s ARG 117 Ca 0.46 2.31 -0.20 0.00 -0.52 0.00 0.00 55.73 57.78 3iu3 s ARG 117 Cb -0.32 -3.11 0.11 0.00 0.52 0.00 0.00 34.95 32.15 3iu3 s ARG 117 CO 0.42 -0.42 1.21 0.42 0.02 0.00 0.00 175.30 176.94 3iu3 s ILE 118 N -0.04 4.52 0.68 1.52 1.01 -1.26 -5.01 121.20 122.62 3iu3 s ILE 118 Ca 0.59 -1.35 -0.10 0.00 0.00 0.00 0.00 60.65 59.79 3iu3 s ILE 118 Cb -0.42 -4.85 0.02 0.00 0.01 0.00 0.00 42.46 37.22 3iu3 s ILE 118 CO 0.44 -1.62 1.05 -0.31 0.00 0.00 0.00 174.94 174.50 3iu3 s TYR 119 N 3.28 3.27 -0.39 3.97 2.02 -1.26 -3.68 117.35 124.56 3iu3 s TYR 119 Ca 0.36 0.90 0.03 0.00 -0.37 0.00 0.00 57.07 57.98 3iu3 s TYR 119 Cb -0.04 -3.01 0.11 0.00 -0.40 0.00 0.00 41.96 38.62 3iu3 s TYR 119 CO -0.09 -1.13 0.15 -1.58 -1.57 0.00 0.00 175.55 171.32 3iu3 s HIS 120 N -3.27 2.82 0.79 2.71 2.46 0.14 -4.98 115.29 115.96 3iu3 s HIS 120 Ca 0.57 -2.65 -0.11 0.00 0.47 0.00 0.00 55.06 53.34 3iu3 s HIS 120 Cb -0.11 -2.43 0.06 0.00 -0.13 0.00 0.00 32.58 29.98 3iu3 s HIS 120 CO 0.50 -0.85 1.10 -0.06 -2.47 0.00 0.00 174.74 172.95 3iu3 s PHE 121 N 0.68 2.89 0.26 3.88 0.40 -1.26 -1.85 117.98 122.97 3iu3 s PHE 121 Ca 0.13 1.12 0.07 0.00 -0.60 0.00 0.00 56.93 57.66 3iu3 s PHE 121 Cb -0.21 -3.13 -0.04 0.00 0.51 0.00 0.00 43.02 40.15 3iu3 s PHE 121 CO -0.08 -1.71 0.17 0.14 0.70 0.00 0.00 175.22 174.44 3iu3 s VAL 122 N -3.19 4.24 0.21 -0.44 -7.23 -1.26 -0.37 120.40 112.36 3iu3 s VAL 122 Ca 0.61 -1.48 -0.32 0.00 -1.81 0.00 0.00 61.98 58.98 3iu3 s VAL 122 Cb -0.14 -3.31 -0.12 0.00 0.56 0.00 0.00 36.38 33.37 3iu3 s VAL 122 CO 0.54 -0.34 1.70 0.55 -0.31 0.00 0.00 175.10 177.23 3iu3 n VAL 123 N -1.15 0.08 -0.08 1.32 3.14 0.50 -2.23 118.33 119.91 3iu3 n VAL 123 Ca -0.07 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 3iu3 n VAL 123 Cb 0.58 -1.93 0.00 0.00 -1.06 0.00 0.00 33.84 31.43 3iu3 n VAL 123 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3iu3 n GLY 124 N 3.77 0.57 3.76 7.55 0.00 -0.72 -4.99 105.19 115.13 3iu3 n GLY 124 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.92 4.77 -0.10 1.61 -0.44 -0.94 -4.73 119.66 118.91 3iu3 s GLN 125 Ca 0.00 1.46 0.01 0.00 -2.50 0.00 0.00 55.36 54.33 3iu3 s GLN 125 Cb 0.00 -3.14 0.02 0.00 -1.64 0.00 0.00 33.01 28.25 3iu3 s GLN 125 CO 0.00 0.44 -0.10 1.41 0.50 0.00 0.00 175.29 177.53 3iu3 s MET 126 N -1.43 1.71 0.27 1.67 -2.45 -1.26 -2.17 119.30 115.64 3iu3 s MET 126 Ca 0.44 -0.36 0.08 0.00 -1.25 0.00 0.00 55.69 54.60 3iu3 s MET 126 Cb -0.24 -1.60 -0.04 0.00 1.25 0.00 0.00 34.83 34.19 3iu3 s MET 126 CO 0.30 -0.15 0.11 0.14 1.05 0.00 0.00 175.02 176.47 3iu3 s VAL 127 N 1.29 3.88 -0.05 10.11 -7.23 -1.03 -4.54 120.40 122.83 3iu3 s VAL 127 Ca -0.02 -1.64 0.06 0.00 -1.81 0.00 0.00 61.98 58.56 3iu3 s VAL 127 Cb -0.14 -3.12 -0.01 0.00 0.56 0.00 0.00 36.38 33.67 3iu3 s VAL 127 CO -0.04 -0.34 -0.23 -0.31 -0.31 0.00 0.00 175.10 173.86 3iu3 s TYR 128 N -2.24 2.28 0.13 2.82 1.51 0.28 -4.58 117.35 117.54 3iu3 s TYR 128 Ca 0.33 -0.66 -0.16 0.00 -1.01 0.00 0.00 57.07 55.57 3iu3 s TYR 128 Cb -0.07 -1.50 -0.07 0.00 -0.11 0.00 0.00 41.96 40.21 3iu3 s TYR 128 CO 0.23 -0.20 0.56 0.71 -1.11 0.00 0.00 175.55 175.75 3iu3 s TYR 129 N -0.16 3.67 -0.02 2.71 1.51 -1.26 -1.68 117.35 122.13 3iu3 s TYR 129 Ca -0.03 1.14 0.03 0.00 -1.01 0.00 0.00 57.07 57.21 3iu3 s TYR 129 Cb -0.13 -2.42 -0.00 0.00 -0.11 0.00 0.00 41.96 39.30 3iu3 s TYR 129 CO 0.03 0.47 -0.10 -0.65 -1.11 0.00 0.00 175.55 174.19 3iu3 s GLN 130 N -1.69 0.99 -0.32 -0.62 -0.21 -0.54 -4.95 119.66 112.31 3iu3 s GLN 130 Ca 0.35 -0.35 -0.23 0.00 0.02 0.00 0.00 55.36 55.15 3iu3 s GLN 130 Cb -0.16 -0.92 0.00 0.00 1.00 0.00 0.00 33.01 32.92 3iu3 s GLN 130 CO 0.19 0.16 0.77 0.00 -2.12 0.00 0.00 175.29 174.29 3iu3 s VAL 132 N 2.96 4.28 0.00 0.00 1.01 -1.26 -4.69 120.40 122.70 3iu3 s VAL 132 Ca 0.31 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 61.10 3iu3 s VAL 132 Cb -0.14 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.72 3iu3 s VAL 132 CO 0.14 -0.38 0.00 0.00 0.00 0.00 0.00 175.10 174.86 3iu3 n GLN 133 N 4.93 0.00 -2.72 2.72 6.02 -1.26 -4.91 117.38 122.15 3iu3 n GLN 133 Ca -0.11 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.45 3iu3 n GLN 133 Cb 0.44 -1.88 -0.03 0.00 1.02 0.00 0.00 30.24 29.79 3iu3 n GLN 133 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3iu3 s GLY 134 N -0.58 1.62 -0.49 1.08 0.00 -1.26 -5.02 107.32 102.68 3iu3 s GLY 134 Ca 0.00 -0.11 -0.17 0.00 0.00 0.00 0.00 44.72 44.44 3iu3 s GLY 134 CO 0.00 2.12 0.49 -2.52 0.00 0.00 0.00 173.10 173.19 3iu3 s TYR 135 N 3.38 3.16 -0.22 1.90 -0.85 -1.26 -4.81 117.35 118.66 3iu3 s TYR 135 Ca 0.42 -0.77 -0.09 0.00 -0.52 0.00 0.00 57.07 56.10 3iu3 s TYR 135 Cb -0.13 -3.32 0.09 0.00 0.38 0.00 0.00 41.96 38.97 3iu3 s TYR 135 CO 0.13 -0.90 0.48 -0.98 -1.52 0.00 0.00 175.55 172.77 3iu3 s ARG 136 N 2.04 0.43 -0.32 -3.49 1.70 -1.26 -5.07 118.95 112.98 3iu3 s ARG 136 Ca 0.08 1.05 0.17 0.00 -0.47 0.00 0.00 55.73 56.57 3iu3 s ARG 136 Cb -0.22 0.29 0.45 0.00 -0.57 0.00 0.00 34.95 34.90 3iu3 s ARG 136 CO 0.09 -0.21 1.25 0.00 -1.08 0.00 0.00 175.30 175.35 3iu3 n ALA 137 N 4.96 2.60 0.18 7.88 0.00 -1.26 -4.90 120.51 129.97 3iu3 n ALA 137 Ca -0.15 -2.05 0.03 0.00 0.00 0.00 0.00 53.44 51.27 3iu3 n ALA 137 Cb 0.52 -0.90 0.33 0.00 0.00 0.00 0.00 19.45 19.41 3iu3 n ALA 137 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 3iu3 h LEU 138 N 2.10 0.00 -8.75 0.00 8.10 -2.05 -3.38 115.31 111.34 3iu3 h LEU 138 Ca -0.25 0.00 -0.60 0.00 0.11 0.00 0.00 57.88 57.14 3iu3 h LEU 138 Cb 1.27 0.00 -0.10 0.00 -0.44 0.00 0.00 40.66 41.39 3iu3 h LEU 138 CO 0.09 0.42 0.58 -1.00 -4.11 0.00 0.00 178.44 174.42 3iu3 s HIS 139 N -3.95 3.00 -0.06 0.17 3.76 -1.26 -4.97 115.29 111.99 3iu3 s HIS 139 Ca -0.02 0.57 -0.11 0.00 -0.15 0.00 0.00 55.06 55.35 3iu3 s HIS 139 Cb 0.13 -3.79 -0.07 0.00 1.11 0.00 0.00 32.58 29.97 3iu3 s HIS 139 CO 0.72 -0.95 0.47 -0.09 -0.85 0.00 0.00 174.74 174.03 3iu3 h ARG 140 N 8.77 -0.35 -5.94 1.40 2.43 -2.01 -3.43 114.38 115.24 3iu3 h ARG 140 Ca -0.24 0.02 -0.61 0.00 -0.81 0.00 0.00 59.98 58.35 3iu3 h ARG 140 Cb 1.08 0.08 -0.11 0.00 -0.42 0.00 0.00 29.97 30.60 3iu3 h ARG 140 CO 1.00 -0.20 0.47 0.20 -1.51 0.00 0.00 179.97 179.93 3iu3 s GLY 141 N -3.14 1.58 -0.36 2.80 0.00 -1.26 -5.02 107.32 101.92 3iu3 s GLY 141 Ca -0.06 -0.70 -0.24 0.00 0.00 0.00 0.00 44.72 43.72 3iu3 s GLY 141 CO 0.19 1.89 0.83 2.56 0.00 0.00 0.00 173.10 178.57 3iu3 s PRO 142 N 3.37 3.79 -0.31 2.90 0.05 -1.26 -4.98 135.00 138.55 3iu3 s PRO 142 Ca 0.34 0.41 0.04 0.00 0.05 0.00 0.00 61.00 61.84 3iu3 s PRO 142 Cb -0.12 -3.81 0.18 0.00 0.05 0.00 0.00 34.50 30.80 3iu3 s PRO 142 CO 0.20 -0.88 0.50 0.00 0.05 0.00 0.00 177.00 176.87 3iu3 s ALA 143 N 3.23 -1.72 0.29 8.56 0.00 -1.26 -5.07 121.76 125.79 3iu3 s ALA 143 Ca 0.34 0.43 -0.07 0.00 0.00 0.00 0.00 51.96 52.66 3iu3 s ALA 143 Cb -0.13 -2.32 -0.00 0.00 0.00 0.00 0.00 23.12 20.67 3iu3 s ALA 143 CO 0.17 -1.87 0.46 -2.00 0.00 0.00 0.00 175.76 172.52 3iu3 s GLU 144 N 2.48 1.71 -0.39 0.00 2.12 -1.26 -5.07 118.70 118.29 3iu3 s GLU 144 Ca 0.11 -1.52 -0.11 0.00 0.36 0.00 0.00 54.97 53.81 3iu3 s GLU 144 Cb -0.11 0.45 0.01 0.00 0.26 0.00 0.00 34.13 34.74 3iu3 s GLU 144 CO -0.24 -0.70 0.42 -1.13 -0.54 0.00 0.00 175.26 173.07 3iu3 n SER 145 N -0.87 -7.96 -4.10 -1.70 3.41 -1.26 -4.49 113.62 96.65 3iu3 n SER 145 Ca -0.00 0.80 -0.19 0.00 -0.26 0.00 0.00 58.87 59.22 3iu3 n SER 145 Cb 0.62 -5.37 -0.14 0.00 -0.26 0.00 0.00 64.21 59.07 3iu3 n SER 145 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3iu3 s VAL 146 N -2.31 0.95 -0.05 -3.33 1.01 -1.26 -2.45 120.40 112.96 3iu3 s VAL 146 Ca 0.18 -0.79 -0.27 0.00 0.00 0.00 0.00 61.98 61.09 3iu3 s VAL 146 Cb -0.05 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 3iu3 s VAL 146 CO 0.77 0.06 0.86 0.00 0.00 0.00 0.00 175.10 176.79 3iu3 s LYS 148 N 1.14 0.45 -0.99 0.00 1.02 -1.10 -1.75 119.74 118.50 3iu3 s LYS 148 Ca 0.45 -0.32 -0.19 0.00 0.02 0.00 0.00 55.97 55.93 3iu3 s LYS 148 Cb -0.19 -0.38 0.12 0.00 -0.52 0.00 0.00 37.83 36.85 3iu3 s LYS 148 CO 0.22 0.10 1.25 1.41 -0.92 0.00 0.00 175.35 177.40 3iu3 s MET 149 N -0.47 3.67 -0.73 1.68 -2.45 -1.26 -2.50 119.30 117.23 3iu3 s MET 149 Ca -0.01 -1.75 -0.25 0.00 -1.25 0.00 0.00 55.69 52.44 3iu3 s MET 149 Cb -0.04 -5.04 0.05 0.00 1.25 0.00 0.00 34.83 31.05 3iu3 s MET 149 CO -0.00 -1.87 1.16 0.99 1.05 0.00 0.00 175.02 176.35 3iu3 s THR 150 N 3.04 4.01 -0.44 10.11 2.01 -0.60 -4.43 115.64 129.34 3iu3 s THR 150 Ca 0.37 -0.06 -0.03 0.00 0.31 0.00 0.00 61.69 62.29 3iu3 s THR 150 Cb -0.03 -4.83 0.03 0.00 0.01 0.00 0.00 72.50 67.67 3iu3 s THR 150 CO -0.08 -1.69 0.09 0.00 -0.69 0.00 0.00 174.62 172.25 3iu3 n HIS 151 N 8.57 -1.81 0.00 4.92 1.44 -1.26 -2.28 115.22 124.81 3iu3 n HIS 151 Ca 0.03 0.09 0.00 0.00 -2.01 0.00 0.00 57.72 55.84 3iu3 n HIS 151 Cb 0.48 -1.51 0.00 0.00 0.12 0.00 0.00 29.99 29.07 3iu3 n HIS 151 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3iu3 n GLY 152 N -0.65 0.98 3.44 -1.39 0.00 -1.26 -5.11 105.19 101.20 3iu3 n GLY 152 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3iu3 n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iu3 s LYS 153 N 0.00 2.21 0.27 1.61 1.02 -0.96 -5.09 119.74 118.79 3iu3 s LYS 153 Ca 0.00 -0.89 -0.22 0.00 0.02 0.00 0.00 55.97 54.88 3iu3 s LYS 153 Cb 0.00 -2.22 -0.09 0.00 -0.52 0.00 0.00 37.83 35.00 3iu3 s LYS 153 CO 0.00 0.57 0.82 0.95 -0.92 0.00 0.00 175.35 176.77 3iu3 s THR 154 N -0.83 4.41 0.11 2.17 -4.23 -1.26 -1.56 115.64 114.44 3iu3 s THR 154 Ca 0.13 1.53 -0.11 0.00 -1.18 0.00 0.00 61.69 62.06 3iu3 s THR 154 Cb -0.10 -3.92 0.01 0.00 1.34 0.00 0.00 72.50 69.82 3iu3 s THR 154 CO 0.03 0.17 0.26 0.00 -0.54 0.00 0.00 174.62 174.55 3iu3 s ARG 155 N -2.02 0.93 0.00 3.99 1.70 -1.04 -4.73 118.95 117.79 3iu3 s ARG 155 Ca 0.46 -0.90 0.16 0.00 -0.47 0.00 0.00 55.73 54.98 3iu3 s ARG 155 Cb -0.17 0.38 0.12 0.00 -0.57 0.00 0.00 34.95 34.71 3iu3 s ARG 155 CO 0.22 -0.32 0.99 0.91 -1.08 0.00 0.00 175.30 176.02