#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 4.21 -0.23 -4.62 1.02 -1.26 -0.00 118.68 117.79 3iu3 s LEU 2 Ca 0.00 1.90 -0.28 0.00 0.02 0.00 0.00 54.13 55.76 3iu3 s LEU 2 Cb 0.00 -3.54 -0.04 0.00 0.02 0.00 0.00 46.19 42.64 3iu3 s LEU 2 CO 0.00 -0.88 1.96 0.00 0.02 0.00 0.00 176.35 177.45 3iu3 h ASP 4 N 13.22 0.00 -3.93 0.00 1.82 -1.91 -3.38 116.42 122.23 3iu3 h ASP 4 Ca -0.38 -0.07 -0.38 0.00 -0.39 0.00 0.00 57.03 55.81 3iu3 h ASP 4 Cb 1.20 0.00 -0.17 0.00 0.68 0.00 0.00 39.33 41.05 3iu3 h ASP 4 CO 0.99 0.03 -0.74 -1.81 -1.61 0.00 0.00 179.24 176.10 3iu3 s ASP 5 N -5.08 1.97 0.62 2.28 1.01 -1.26 -5.13 116.67 111.08 3iu3 s ASP 5 Ca 0.05 -0.90 -0.18 0.00 0.71 0.00 0.00 52.55 52.23 3iu3 s ASP 5 Cb 0.10 -0.05 -0.04 0.00 1.01 0.00 0.00 42.92 43.94 3iu3 s ASP 5 CO 0.71 -0.22 1.06 0.47 0.21 0.00 0.00 175.17 177.40 3iu3 n ASP 6 N 0.18 1.15 -4.73 0.27 9.92 -1.26 -5.01 116.55 117.07 3iu3 n ASP 6 Ca -0.13 0.81 -0.31 0.00 -0.53 0.00 0.00 54.79 54.63 3iu3 n ASP 6 Cb 0.59 -1.44 0.12 0.00 -0.64 0.00 0.00 41.12 39.75 3iu3 n ASP 6 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 3iu3 s PRO 7 N -2.95 1.74 0.70 -0.24 0.02 -1.26 -4.96 135.00 128.05 3iu3 s PRO 7 Ca 0.78 1.33 -0.11 0.00 0.02 0.00 0.00 61.00 63.02 3iu3 s PRO 7 Cb -0.40 -1.83 0.01 0.00 0.02 0.00 0.00 34.50 32.30 3iu3 s PRO 7 CO 0.45 -2.05 1.06 -2.14 -0.33 0.00 0.00 177.00 173.99 3iu3 s PRO 8 N -4.80 2.94 -0.34 5.54 0.02 -1.26 -5.06 135.00 132.05 3iu3 s PRO 8 Ca 0.63 0.87 0.01 0.00 0.02 0.00 0.00 61.00 62.54 3iu3 s PRO 8 Cb -0.19 -2.00 0.10 0.00 0.02 0.00 0.00 34.50 32.43 3iu3 s PRO 8 CO 0.57 -1.07 0.10 -2.00 -0.33 0.00 0.00 177.00 174.27 3iu3 s GLU 9 N -5.09 1.06 0.06 5.54 2.12 -1.26 -5.02 118.70 116.11 3iu3 s GLU 9 Ca 0.58 -1.48 -0.31 0.00 0.36 0.00 0.00 54.97 54.12 3iu3 s GLU 9 Cb -0.13 -2.47 -0.06 0.00 0.26 0.00 0.00 34.13 31.72 3iu3 s GLU 9 CO 0.55 -0.99 1.29 0.42 -0.54 0.00 0.00 175.26 175.98 3iu3 s ILE 10 N 1.20 3.79 -0.26 -3.70 1.01 -1.26 -4.85 121.20 117.13 3iu3 s ILE 10 Ca 0.11 1.26 -0.20 0.00 0.00 0.00 0.00 60.65 61.82 3iu3 s ILE 10 Cb -0.19 -3.81 -0.09 0.00 0.01 0.00 0.00 42.46 38.38 3iu3 s ILE 10 CO -0.16 0.07 1.03 -2.65 0.00 0.00 0.00 174.94 173.23 3iu3 n PRO 11 N 4.29 0.00 -3.61 2.79 -0.02 -1.26 -1.45 135.00 135.74 3iu3 n PRO 11 Ca 0.11 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.30 3iu3 n PRO 11 Cb 0.45 -0.70 0.05 0.00 -0.02 0.00 0.00 33.50 33.27 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 3.67 -2.01 -3.67 6.00 8.25 -1.26 -5.03 115.22 121.17 3iu3 n HIS 12 Ca 0.26 0.52 -0.23 0.00 -0.26 0.00 0.00 57.72 58.01 3iu3 n HIS 12 Cb -0.01 -3.53 -0.17 0.00 1.12 0.00 0.00 29.99 27.39 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 -3.44 0.45 0.01 -1.41 0.00 -0.53 -4.71 121.76 112.13 3iu3 s ALA 13 Ca 0.46 -0.13 -0.25 0.00 0.00 0.00 0.00 51.96 52.05 3iu3 s ALA 13 Cb -0.15 -0.85 -0.05 0.00 0.00 0.00 0.00 23.12 22.07 3iu3 s ALA 13 CO 0.84 -0.81 0.75 0.95 0.00 0.00 0.00 175.76 177.50 3iu3 s THR 14 N 2.10 4.84 -0.07 0.00 -4.23 -1.16 -4.62 115.64 112.50 3iu3 s THR 14 Ca 0.03 1.58 0.00 0.00 -1.18 0.00 0.00 61.69 62.12 3iu3 s THR 14 Cb -0.14 -4.09 -0.03 0.00 1.34 0.00 0.00 72.50 69.58 3iu3 s THR 14 CO -0.06 0.32 -0.06 0.72 -0.54 0.00 0.00 174.62 175.00 3iu3 s PHE 15 N 0.25 2.97 0.00 3.99 -0.12 -1.26 -2.54 117.98 121.28 3iu3 s PHE 15 Ca 0.39 0.05 -0.09 0.00 -0.05 0.00 0.00 56.93 57.22 3iu3 s PHE 15 Cb -0.20 -1.72 0.01 0.00 -0.63 0.00 0.00 43.02 40.48 3iu3 s PHE 15 CO 0.21 0.35 0.19 0.15 -0.05 0.00 0.00 175.22 176.07 3iu3 s LYS 16 N -0.81 0.54 -0.07 1.99 1.02 -0.84 -4.99 119.74 116.58 3iu3 s LYS 16 Ca 0.12 -0.36 -0.03 0.00 0.02 0.00 0.00 55.97 55.72 3iu3 s LYS 16 Cb -0.11 0.23 -0.04 0.00 -0.52 0.00 0.00 37.83 37.39 3iu3 s LYS 16 CO 0.02 -0.14 0.08 0.00 -0.92 0.00 0.00 175.35 174.39 3iu3 s ALA 17 N -1.43 3.60 -0.01 5.17 0.00 -1.26 -1.07 121.76 126.76 3iu3 s ALA 17 Ca -0.14 -0.76 -0.23 0.00 0.00 0.00 0.00 51.96 50.83 3iu3 s ALA 17 Cb -0.07 -1.70 -0.19 0.00 0.00 0.00 0.00 23.12 21.16 3iu3 s ALA 17 CO 0.02 0.63 1.21 0.52 0.00 0.00 0.00 175.76 178.14 3iu3 h MET 18 N 4.77 0.22 -4.55 0.00 2.86 -1.96 -3.46 114.93 112.81 3iu3 h MET 18 Ca -0.52 -0.15 -0.38 0.00 -2.06 0.00 0.00 59.70 56.59 3iu3 h MET 18 Cb 1.20 0.02 -0.29 0.00 0.06 0.00 0.00 31.60 32.60 3iu3 h MET 18 CO 0.58 0.77 -0.77 0.00 1.06 0.00 0.00 176.91 178.55 3iu3 s ALA 19 N -3.83 0.67 -0.27 6.32 0.00 -1.26 -4.82 121.76 118.57 3iu3 s ALA 19 Ca -0.15 -0.31 -0.11 0.00 0.00 0.00 0.00 51.96 51.39 3iu3 s ALA 19 Cb 0.03 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.90 3iu3 s ALA 19 CO 0.73 0.14 0.17 0.71 0.00 0.00 0.00 175.76 177.52 3iu3 s TYR 20 N -0.07 3.23 0.66 0.00 1.51 -0.12 -4.81 117.35 117.75 3iu3 s TYR 20 Ca 0.01 0.10 -0.17 0.00 -1.01 0.00 0.00 57.07 56.00 3iu3 s TYR 20 Cb -0.04 -2.34 -0.03 0.00 -0.11 0.00 0.00 41.96 39.44 3iu3 s TYR 20 CO -0.00 -0.12 0.86 1.63 -1.11 0.00 0.00 175.55 176.80 3iu3 n LYS 21 N 4.85 0.62 -1.92 -0.62 4.01 -1.26 -1.81 118.16 122.04 3iu3 n LYS 21 Ca -0.14 0.26 -0.42 0.00 -0.51 0.00 0.00 58.31 57.49 3iu3 n LYS 21 Cb 0.52 -2.09 -0.03 0.00 -0.51 0.00 0.00 35.03 32.92 3iu3 n LYS 21 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 3iu3 s GLU 22 N -2.91 4.21 0.00 1.97 2.02 -1.26 -2.74 118.70 119.99 3iu3 s GLU 22 Ca 0.73 2.37 0.00 0.00 0.02 0.00 0.00 54.97 58.09 3iu3 s GLU 22 Cb -0.38 -3.24 0.00 0.00 0.10 0.00 0.00 34.13 30.61 3iu3 s GLU 22 CO 0.50 -0.64 0.00 0.41 0.02 0.00 0.00 175.26 175.55 3iu3 n GLY 23 N 3.82 1.69 3.78 -1.39 0.00 0.19 -4.98 105.19 108.29 3iu3 n GLY 23 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.07 2.15 -0.13 2.61 2.01 -1.11 -4.75 115.64 114.35 3iu3 s THR 24 Ca 0.00 0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.16 3iu3 s THR 24 Cb 0.00 -3.10 0.02 0.00 0.01 0.00 0.00 72.50 69.43 3iu3 s THR 24 CO 0.00 0.04 -0.13 -0.04 -0.69 0.00 0.00 174.62 173.79 3iu3 s MET 25 N -1.98 2.13 -0.27 4.92 -1.94 -1.11 -1.55 119.30 119.50 3iu3 s MET 25 Ca 0.53 -0.50 -0.06 0.00 -1.71 0.00 0.00 55.69 53.94 3iu3 s MET 25 Cb -0.46 -1.95 0.00 0.00 2.01 0.00 0.00 34.83 34.43 3iu3 s MET 25 CO 0.61 -0.20 0.06 -1.17 -0.01 0.00 0.00 175.02 174.31 3iu3 s LEU 26 N 1.40 3.62 0.32 -0.03 2.96 -0.09 -0.24 118.68 126.62 3iu3 s LEU 26 Ca 0.02 -0.57 -0.28 0.00 -0.22 0.00 0.00 54.13 53.07 3iu3 s LEU 26 Cb -0.13 -1.86 -0.10 0.00 0.50 0.00 0.00 46.19 44.60 3iu3 s LEU 26 CO -0.08 -0.14 1.18 0.20 -1.32 0.00 0.00 176.35 176.19 3iu3 s ASN 27 N 1.51 6.99 -0.79 3.68 0.02 -1.22 0.22 114.94 125.36 3iu3 s ASN 27 Ca 0.04 2.42 -0.25 0.00 -1.02 0.00 0.00 52.86 54.05 3iu3 s ASN 27 Cb -0.16 -2.63 0.05 0.00 0.02 0.00 0.00 41.25 38.53 3iu3 s ASN 27 CO 0.02 -0.35 1.23 0.00 0.02 0.00 0.00 177.10 178.01 3iu3 s GLU 29 N 4.98 3.24 0.16 0.00 0.41 -1.26 -4.98 118.70 121.25 3iu3 s GLU 29 Ca 0.34 -0.41 0.11 0.00 -0.41 0.00 0.00 54.97 54.60 3iu3 s GLU 29 Cb -0.08 -2.88 -0.04 0.00 -1.78 0.00 0.00 34.13 29.35 3iu3 s GLU 29 CO 0.07 0.58 -0.24 0.00 -0.49 0.00 0.00 175.26 175.18 3iu3 s LYS 31 N -2.40 4.03 0.43 0.00 1.02 -1.26 -4.77 119.74 116.78 3iu3 s LYS 31 Ca 0.18 0.80 -0.22 0.00 0.02 0.00 0.00 55.97 56.74 3iu3 s LYS 31 Cb -0.09 -2.33 -0.12 0.00 -0.52 0.00 0.00 37.83 34.78 3iu3 s LYS 31 CO 0.09 0.04 0.65 2.89 -0.92 0.00 0.00 175.35 178.09 3iu3 n ARG 32 N -0.69 0.72 -1.96 1.68 0.00 -1.26 -5.03 116.66 110.12 3iu3 n ARG 32 Ca 0.05 0.26 -0.00 0.00 -0.00 0.00 0.00 57.85 58.16 3iu3 n ARG 32 Cb 0.54 -1.63 0.00 0.00 -0.00 0.00 0.00 32.46 31.36 3iu3 n ARG 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3iu3 n GLY 33 N 1.65 0.48 0.00 2.89 0.00 -1.26 -5.09 105.19 103.86 3iu3 n GLY 33 Ca 0.11 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3iu3 n GLY 33 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3iu3 n ILE 37 N -1.05 0.00 -2.26 -0.61 0.13 0.53 -4.13 119.36 111.97 3iu3 n ILE 37 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 3iu3 n ILE 37 Cb 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.30 3iu3 n ILE 37 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 3iu3 n LYS 38 N 0.67 -4.91 -0.85 9.51 4.81 -1.26 -4.31 118.16 121.81 3iu3 n LYS 38 Ca 0.00 3.53 0.00 0.00 -0.87 0.00 0.00 58.31 60.97 3iu3 n LYS 38 Cb 0.00 -4.29 0.00 0.00 0.02 0.00 0.00 35.03 30.76 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 1.90 -4.13 -4.91 3.14 3.41 -1.26 -4.98 113.62 106.78 3iu3 n SER 39 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 3iu3 n SER 39 Cb 0.00 -3.12 -0.04 0.00 -0.26 0.00 0.00 64.21 60.80 3iu3 n SER 39 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3iu3 s GLY 40 N -2.00 1.96 0.61 5.00 0.00 -1.26 -5.06 107.32 106.57 3iu3 s GLY 40 Ca 0.00 -0.67 -0.18 0.00 0.00 0.00 0.00 44.72 43.87 3iu3 s GLY 40 CO 0.00 -0.60 0.94 -1.14 0.00 0.00 0.00 173.10 172.29 3iu3 n SER 41 N -0.47 0.63 0.09 1.64 3.41 -1.26 -4.93 113.62 112.73 3iu3 n SER 41 Ca -0.03 0.79 -0.01 0.00 -0.26 0.00 0.00 58.87 59.36 3iu3 n SER 41 Cb 0.53 -1.38 -0.05 0.00 -0.26 0.00 0.00 64.21 63.06 3iu3 n SER 41 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3iu3 h LEU 42 N 0.42 0.00 0.00 1.04 3.38 -1.96 -3.44 115.31 114.75 3iu3 h LEU 42 Ca -0.48 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.41 3iu3 h LEU 42 Cb 1.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 3iu3 h LEU 42 CO 0.50 0.69 0.20 0.00 0.09 0.00 0.00 178.44 179.92 3iu3 n TYR 43 N -3.18 -2.22 -4.85 1.13 0.18 -1.26 -2.72 117.16 104.24 3iu3 n TYR 43 Ca -0.02 -1.95 -0.31 0.00 1.88 0.00 0.00 57.90 57.50 3iu3 n TYR 43 Cb 0.83 0.87 -0.17 0.00 -0.38 0.00 0.00 39.34 40.49 3iu3 n TYR 43 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 3iu3 s MET 44 N -2.21 2.74 -0.13 -3.48 -1.94 0.13 -4.53 119.30 109.88 3iu3 s MET 44 Ca 0.18 -0.76 -0.03 0.00 -1.71 0.00 0.00 55.69 53.36 3iu3 s MET 44 Cb -0.04 -2.17 -0.03 0.00 2.01 0.00 0.00 34.83 34.60 3iu3 s MET 44 CO 0.13 0.06 -0.01 -1.17 -0.01 0.00 0.00 175.02 174.02 3iu3 s LEU 45 N 0.63 3.44 -0.42 -0.03 2.96 -1.26 -0.91 118.68 123.09 3iu3 s LEU 45 Ca -0.13 -0.00 -0.23 0.00 -0.22 0.00 0.00 54.13 53.55 3iu3 s LEU 45 Cb -0.16 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.73 3iu3 s LEU 45 CO 0.03 0.25 0.75 0.00 -1.32 0.00 0.00 176.35 176.06 3iu3 n THR 47 N 5.97 0.00 0.00 0.00 5.66 -0.63 0.52 114.28 125.81 3iu3 n THR 47 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 3iu3 n THR 47 Cb 0.48 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 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 1.37 0.68 1.09 0.00 -1.26 -1.09 105.19 105.98 3iu3 n GLY 48 Ca 0.00 -1.32 -0.06 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.25 -4.65 1.61 0.23 -1.23 -4.91 115.26 104.06 3iu3 n ASN 49 Ca 0.00 -0.26 -0.43 0.00 -0.53 0.00 0.00 54.58 53.36 3iu3 n ASN 49 Cb 0.00 -0.21 -0.02 0.00 -2.08 0.00 0.00 39.78 37.47 3iu3 n ASN 49 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3iu3 s SER 50 N -2.21 6.68 -0.44 0.53 1.04 -1.26 -4.11 113.70 113.93 3iu3 s SER 50 Ca 0.14 1.67 -0.24 0.00 0.48 0.00 0.00 55.95 58.01 3iu3 s SER 50 Cb -0.02 -2.54 0.03 0.00 0.10 0.00 0.00 66.02 63.59 3iu3 s SER 50 CO 0.12 -1.00 0.62 -1.54 0.98 0.00 0.00 173.24 172.42 3iu3 n SER 51 N 7.43 -7.15 0.00 7.02 3.41 -1.26 -5.02 113.62 118.04 3iu3 n SER 51 Ca 0.16 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 3iu3 n SER 51 Cb 0.45 -4.17 0.00 0.00 -0.26 0.00 0.00 64.21 60.23 3iu3 n SER 51 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3iu3 n HIS 52 N -0.28 0.00 -3.55 7.33 -0.00 -1.26 -5.18 115.22 112.28 3iu3 n HIS 52 Ca 0.05 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.47 3iu3 n HIS 52 Cb 0.53 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.48 3iu3 n HIS 52 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 3iu3 s SER 53 N 0.00 6.48 0.03 0.26 0.01 -1.26 -3.49 113.70 115.73 3iu3 s SER 53 Ca 0.00 0.64 -0.27 0.00 1.31 0.00 0.00 55.95 57.62 3iu3 s SER 53 Cb 0.00 -2.11 0.09 0.00 0.21 0.00 0.00 66.02 64.21 3iu3 s SER 53 CO 0.00 -0.05 0.78 -0.55 0.41 0.00 0.00 173.24 173.83 3iu3 s SER 54 N -2.76 -0.46 -0.04 2.44 0.15 -0.25 -4.96 113.70 107.81 3iu3 s SER 54 Ca 0.42 0.10 -0.23 0.00 0.70 0.00 0.00 55.95 56.94 3iu3 s SER 54 Cb -0.11 0.46 -0.04 0.00 -1.71 0.00 0.00 66.02 64.62 3iu3 s SER 54 CO 0.26 -0.72 0.67 0.26 1.20 0.00 0.00 173.24 174.92 3iu3 s TRP 55 N -3.00 3.62 -0.01 3.44 0.52 -1.26 -1.60 118.94 120.64 3iu3 s TRP 55 Ca 0.02 1.25 -0.04 0.00 0.02 0.00 0.00 56.10 57.34 3iu3 s TRP 55 Cb -0.01 -2.75 -0.02 0.00 -1.15 0.00 0.00 33.47 29.54 3iu3 s TRP 55 CO -0.08 0.18 0.49 0.22 0.02 0.00 0.00 176.95 177.78 3iu3 h ASP 56 N 6.36 -0.14 -5.02 2.95 3.58 -0.74 -3.48 116.42 119.93 3iu3 h ASP 56 Ca -0.42 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 56.73 3iu3 h ASP 56 Cb 1.20 0.04 0.04 0.00 1.72 0.00 0.00 39.33 42.33 3iu3 h ASP 56 CO 0.73 -0.02 0.04 0.59 -2.88 0.00 0.00 179.24 177.71 3iu3 n ASN 57 N -2.88 1.02 -3.84 2.28 3.02 -1.26 -4.98 115.26 108.63 3iu3 n ASN 57 Ca -0.02 -1.81 -0.19 0.00 -0.03 0.00 0.00 54.58 52.52 3iu3 n ASN 57 Cb 0.06 -0.37 -0.17 0.00 -0.61 0.00 0.00 39.78 38.70 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 -4.00 0.57 0.38 3.52 0.74 -1.26 -4.85 119.66 114.76 3iu3 s GLN 58 Ca 0.42 0.01 -0.19 0.00 0.05 0.00 0.00 55.36 55.65 3iu3 s GLN 58 Cb -0.03 -0.72 -0.10 0.00 1.10 0.00 0.00 33.01 33.26 3iu3 s GLN 58 CO 0.27 -0.15 0.86 0.00 -0.55 0.00 0.00 175.29 175.73 3iu3 s GLN 60 N -3.02 0.50 0.01 0.00 2.00 -1.26 -4.80 119.66 113.09 3iu3 s GLN 60 Ca 0.58 -0.13 0.02 0.00 -2.00 0.00 0.00 55.36 53.83 3iu3 s GLN 60 Cb -0.10 0.22 -0.01 0.00 0.80 0.00 0.00 33.01 33.92 3iu3 s GLN 60 CO 0.15 -0.12 -0.06 0.00 -0.50 0.00 0.00 175.29 174.76 3iu3 n THR 62 N 2.60 0.00 -0.11 0.00 -1.04 -1.26 -4.63 114.28 109.83 3iu3 n THR 62 Ca -0.15 -2.14 0.00 0.00 -2.04 0.00 0.00 64.05 59.72 3iu3 n THR 62 Cb 0.57 1.06 0.00 0.00 -1.82 0.00 0.00 70.33 70.14 3iu3 n THR 62 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3iu3 n SER 63 N -1.84 1.82 -0.01 8.00 3.41 -1.26 -4.85 113.62 118.88 3iu3 n SER 63 Ca 0.07 -1.40 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 3iu3 n SER 63 Cb 0.53 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 3iu3 n SER 63 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3iu3 n HIS 103 N 1.69 0.00 -3.97 7.33 -0.00 -1.26 -4.58 115.22 114.43 3iu3 n HIS 103 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3iu3 n HIS 103 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.17 3iu3 n HIS 103 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3iu3 n ARG 105 N 0.00 0.62 -3.95 0.00 5.12 -0.75 -4.76 116.66 112.95 3iu3 n ARG 105 Ca 0.00 -1.82 -0.10 0.00 -1.93 0.00 0.00 57.85 54.00 3iu3 n ARG 105 Cb 0.00 1.94 -0.11 0.00 -1.16 0.00 0.00 32.46 33.12 3iu3 n ARG 105 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3iu3 s GLU 106 N -2.36 0.29 0.05 5.56 2.02 -1.26 -0.95 118.70 122.04 3iu3 s GLU 106 Ca 0.17 -0.50 0.03 0.00 0.02 0.00 0.00 54.97 54.69 3iu3 s GLU 106 Cb -0.02 0.11 -0.04 0.00 0.10 0.00 0.00 34.13 34.28 3iu3 s GLU 106 CO 0.12 -0.05 0.01 -1.25 0.02 0.00 0.00 175.26 174.11 3iu3 s PRO 107 N -1.24 2.69 0.17 0.39 0.04 -1.26 -4.95 135.00 130.84 3iu3 s PRO 107 Ca -0.14 -0.72 0.02 0.00 0.04 0.00 0.00 61.00 60.20 3iu3 s PRO 107 Cb -0.08 -2.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.80 3iu3 s PRO 107 CO -0.01 0.58 0.32 -1.25 0.04 0.00 0.00 177.00 176.69 3iu3 s PRO 108 N -1.98 3.46 0.14 0.56 0.04 -1.26 -5.10 135.00 130.86 3iu3 s PRO 108 Ca 0.23 -0.52 -0.30 0.00 0.04 0.00 0.00 61.00 60.45 3iu3 s PRO 108 Cb -0.12 -2.92 -0.06 0.00 0.04 0.00 0.00 34.50 31.44 3iu3 s PRO 108 CO 0.15 0.48 0.96 -1.25 0.04 0.00 0.00 177.00 177.38 3iu3 s PRO 109 N -3.29 4.73 0.39 0.56 0.04 -1.26 -5.07 135.00 131.10 3iu3 s PRO 109 Ca 0.36 1.47 0.08 0.00 0.04 0.00 0.00 61.00 62.94 3iu3 s PRO 109 Cb -0.11 -3.35 -0.00 0.00 0.04 0.00 0.00 34.50 31.07 3iu3 s PRO 109 CO 0.29 0.27 0.50 1.67 0.04 0.00 0.00 177.00 179.77 3iu3 s TRP 110 N -0.25 2.88 0.00 0.56 -2.14 -1.26 -5.06 118.94 113.67 3iu3 s TRP 110 Ca 0.46 -0.36 0.00 0.00 2.66 0.00 0.00 56.10 58.86 3iu3 s TRP 110 Cb -0.24 -2.21 0.00 0.00 -3.10 0.00 0.00 33.47 27.92 3iu3 s TRP 110 CO 0.30 -0.23 0.69 -1.91 -2.66 0.00 0.00 176.95 173.14 3iu3 n GLU 111 N -1.72 0.00 -4.48 3.25 2.13 -1.26 -4.46 120.64 114.09 3iu3 n GLU 111 Ca 0.05 0.69 -0.34 0.00 0.66 0.00 0.00 57.16 58.22 3iu3 n GLU 111 Cb 0.59 -1.16 -0.13 0.00 0.27 0.00 0.00 31.44 31.01 3iu3 n GLU 111 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 3iu3 s ASN 112 N -2.91 4.40 0.30 4.31 0.01 -1.26 -5.09 114.94 114.70 3iu3 s ASN 112 Ca 0.00 -0.25 0.07 0.00 -0.71 0.00 0.00 52.86 51.97 3iu3 s ASN 112 Cb 0.00 -1.71 -0.03 0.00 0.41 0.00 0.00 41.25 39.93 3iu3 s ASN 112 CO 0.00 0.14 0.24 -0.62 -1.51 0.00 0.00 177.10 175.35 3iu3 n GLU 113 N 3.72 0.38 -4.09 -0.60 1.02 -1.26 -4.58 120.64 115.23 3iu3 n GLU 113 Ca -0.18 -2.97 -0.32 0.00 -0.02 0.00 0.00 57.16 53.67 3iu3 n GLU 113 Cb 0.52 2.39 -0.16 0.00 -0.02 0.00 0.00 31.44 34.17 3iu3 n GLU 113 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3iu3 s ALA 114 N -3.19 2.22 0.87 0.62 0.00 -1.26 -4.03 121.76 117.00 3iu3 s ALA 114 Ca 0.34 -1.16 -0.12 0.00 0.00 0.00 0.00 51.96 51.03 3iu3 s ALA 114 Cb 0.02 -1.16 0.10 0.00 0.00 0.00 0.00 23.12 22.07 3iu3 s ALA 114 CO 0.24 -0.38 1.01 -2.37 0.00 0.00 0.00 175.76 174.26 3iu3 n THR 115 N 4.65 0.83 -1.62 0.00 5.66 -1.26 -4.37 114.28 118.18 3iu3 n THR 115 Ca -0.20 -0.13 -0.01 0.00 -3.05 0.00 0.00 64.05 60.67 3iu3 n THR 115 Cb 0.50 -0.99 0.00 0.00 -1.55 0.00 0.00 70.33 68.29 3iu3 n THR 115 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 3iu3 n GLU 116 N -3.27 -0.20 -2.58 1.09 4.07 -1.26 -5.03 120.64 113.45 3iu3 n GLU 116 Ca 0.12 0.64 -0.37 0.00 -0.06 0.00 0.00 57.16 57.48 3iu3 n GLU 116 Cb 0.52 -1.86 -0.05 0.00 -0.06 0.00 0.00 31.44 29.99 3iu3 n GLU 116 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 3iu3 s ARG 117 N -1.22 4.33 -1.20 5.31 0.52 -1.26 -4.98 118.95 120.46 3iu3 s ARG 117 Ca 0.02 1.52 -0.08 0.00 -0.52 0.00 0.00 55.73 56.67 3iu3 s ARG 117 Cb -0.01 -2.71 0.22 0.00 0.52 0.00 0.00 34.95 32.98 3iu3 s ARG 117 CO 0.07 0.01 1.64 -0.89 0.02 0.00 0.00 175.30 176.14 3iu3 n ILE 118 N 0.27 4.67 -2.50 1.52 2.08 -1.26 -5.01 119.36 119.14 3iu3 n ILE 118 Ca 0.03 -5.01 -0.36 0.00 0.56 0.00 0.00 62.75 57.97 3iu3 n ILE 118 Cb 0.49 -2.30 -0.03 0.00 -0.75 0.00 0.00 39.64 37.04 3iu3 n ILE 118 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 3iu3 s TYR 119 N -0.61 3.17 -0.69 1.39 1.51 -1.26 -3.41 117.35 117.45 3iu3 s TYR 119 Ca 0.37 1.62 -0.02 0.00 -1.01 0.00 0.00 57.07 58.03 3iu3 s TYR 119 Cb 0.05 -3.16 0.17 0.00 -0.11 0.00 0.00 41.96 38.92 3iu3 s TYR 119 CO 0.03 -0.79 0.52 -1.58 -1.11 0.00 0.00 175.55 172.61 3iu3 s HIS 120 N -1.69 3.51 0.85 2.71 2.46 0.67 -4.97 115.29 118.83 3iu3 s HIS 120 Ca 0.60 -2.87 -0.10 0.00 0.47 0.00 0.00 55.06 53.15 3iu3 s HIS 120 Cb -0.22 -3.15 0.10 0.00 -0.13 0.00 0.00 32.58 29.18 3iu3 s HIS 120 CO 0.28 -0.79 1.12 -0.06 -2.47 0.00 0.00 174.74 172.82 3iu3 s PHE 121 N -0.51 2.09 0.18 3.88 0.40 -1.26 -2.74 117.98 120.01 3iu3 s PHE 121 Ca 0.20 1.67 0.08 0.00 -0.60 0.00 0.00 56.93 58.28 3iu3 s PHE 121 Cb -0.16 -3.20 -0.04 0.00 0.51 0.00 0.00 43.02 40.13 3iu3 s PHE 121 CO -0.06 -2.33 -0.04 0.54 0.70 0.00 0.00 175.22 174.04 3iu3 s VAL 122 N -2.78 3.52 0.34 -0.44 0.11 -1.26 0.35 120.40 120.25 3iu3 s VAL 122 Ca 0.64 -1.52 -0.28 0.00 -2.93 0.00 0.00 61.98 57.88 3iu3 s VAL 122 Cb -0.20 -2.76 -0.12 0.00 -1.53 0.00 0.00 36.38 31.77 3iu3 s VAL 122 CO 0.57 -0.12 1.41 1.33 -3.33 0.00 0.00 175.10 174.96 3iu3 n VAL 123 N -0.08 1.83 -0.03 2.04 0.24 1.00 -2.63 118.33 120.70 3iu3 n VAL 123 Ca -0.10 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 3iu3 n VAL 123 Cb 0.55 -1.77 0.00 0.00 -1.47 0.00 0.00 33.84 31.15 3iu3 n VAL 123 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iu3 n GLY 124 N 0.87 0.39 3.75 7.63 0.00 -0.25 -5.04 105.19 112.54 3iu3 n GLY 124 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.89 4.46 -0.11 1.61 2.00 -1.08 -4.85 119.66 120.81 3iu3 s GLN 125 Ca 0.00 1.98 -0.00 0.00 -2.00 0.00 0.00 55.36 55.34 3iu3 s GLN 125 Cb 0.00 -3.19 -0.02 0.00 0.80 0.00 0.00 33.01 30.60 3iu3 s GLN 125 CO 0.00 -0.10 -0.08 -1.64 -0.50 0.00 0.00 175.29 172.97 3iu3 s MET 126 N -0.72 3.17 -0.04 1.67 -1.94 -1.26 -2.62 119.30 117.56 3iu3 s MET 126 Ca 0.52 -0.59 0.05 0.00 -1.71 0.00 0.00 55.69 53.96 3iu3 s MET 126 Cb -0.35 -2.67 -0.02 0.00 2.01 0.00 0.00 34.83 33.80 3iu3 s MET 126 CO 0.41 0.41 -0.20 0.08 -0.01 0.00 0.00 175.02 175.71 3iu3 s VAL 127 N -0.14 2.57 -0.08 -6.03 1.01 0.25 -4.59 120.40 113.38 3iu3 s VAL 127 Ca 0.01 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.10 3iu3 s VAL 127 Cb -0.13 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 3iu3 s VAL 127 CO 0.03 0.58 -0.14 -0.31 0.00 0.00 0.00 175.10 175.27 3iu3 s TYR 128 N -0.60 2.75 0.19 5.22 2.02 -0.23 -0.49 117.35 126.20 3iu3 s TYR 128 Ca 0.09 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.43 3iu3 s TYR 128 Cb -0.11 -1.72 -0.04 0.00 -0.40 0.00 0.00 41.96 39.69 3iu3 s TYR 128 CO 0.00 0.02 0.36 0.71 -1.57 0.00 0.00 175.55 175.07 3iu3 s TYR 129 N -0.27 3.48 -0.01 2.71 1.51 -1.20 -1.98 117.35 121.59 3iu3 s TYR 129 Ca 0.02 0.28 -0.17 0.00 -1.01 0.00 0.00 57.07 56.20 3iu3 s TYR 129 Cb -0.13 -1.80 0.03 0.00 -0.11 0.00 0.00 41.96 39.95 3iu3 s TYR 129 CO 0.03 0.42 0.36 -1.14 -1.11 0.00 0.00 175.55 174.10 3iu3 s GLN 130 N -3.28 0.73 -0.10 -0.62 0.74 -1.05 -4.95 119.66 111.13 3iu3 s GLN 130 Ca 0.37 -0.17 -0.12 0.00 0.05 0.00 0.00 55.36 55.49 3iu3 s GLN 130 Cb -0.11 0.33 -0.05 0.00 1.10 0.00 0.00 33.01 34.28 3iu3 s GLN 130 CO 0.29 -0.21 0.28 0.00 -0.55 0.00 0.00 175.29 175.09 3iu3 s VAL 132 N -0.46 2.55 -0.02 0.00 1.01 -1.26 -4.82 120.40 117.40 3iu3 s VAL 132 Ca 0.18 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 3iu3 s VAL 132 Cb -0.14 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.19 3iu3 s VAL 132 CO 0.07 0.52 0.04 0.00 0.00 0.00 0.00 175.10 175.73 3iu3 n GLN 133 N 3.99 -3.42 -2.12 2.72 6.02 -1.26 -4.73 117.38 118.59 3iu3 n GLN 133 Ca -0.19 2.52 -0.00 0.00 -0.01 0.00 0.00 57.00 59.31 3iu3 n GLN 133 Cb 0.52 -3.34 0.00 0.00 1.02 0.00 0.00 30.24 28.44 3iu3 n GLN 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iu3 n GLY 134 N 1.93 -0.69 3.56 1.08 0.00 -1.26 -4.88 105.19 104.94 3iu3 n GLY 134 Ca -0.06 0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 3iu3 n GLY 134 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iu3 s TYR 135 N -2.94 1.24 -0.41 1.61 1.51 -1.26 -4.86 117.35 112.24 3iu3 s TYR 135 Ca 0.00 1.21 -0.04 0.00 -1.01 0.00 0.00 57.07 57.24 3iu3 s TYR 135 Cb -0.00 -3.76 0.05 0.00 -0.11 0.00 0.00 41.96 38.14 3iu3 s TYR 135 CO 0.30 -2.74 2.78 0.54 -1.11 0.00 0.00 175.55 175.32 3iu3 n ARG 136 N 8.97 2.33 -3.09 -0.62 1.74 -1.26 -4.87 116.66 119.86 3iu3 n ARG 136 Ca 0.32 -2.19 -0.45 0.00 -0.77 0.00 0.00 57.85 54.76 3iu3 n ARG 136 Cb 0.52 -2.10 -0.04 0.00 -1.02 0.00 0.00 32.46 29.83 3iu3 n ARG 136 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iu3 s ALA 137 N -1.53 3.43 -0.11 7.54 0.00 -1.26 -4.93 121.76 124.90 3iu3 s ALA 137 Ca 0.58 -2.31 -0.11 0.00 0.00 0.00 0.00 51.96 50.11 3iu3 s ALA 137 Cb 0.37 -3.59 -0.10 0.00 0.00 0.00 0.00 23.12 19.80 3iu3 s ALA 137 CO -0.19 -2.42 0.31 -0.07 0.00 0.00 0.00 175.76 173.39 3iu3 h LEU 138 N 9.97 -0.02 0.00 0.00 -0.00 -2.02 -3.39 115.31 119.85 3iu3 h LEU 138 Ca -0.24 -0.36 -0.14 0.00 -0.00 0.00 0.00 57.88 57.14 3iu3 h LEU 138 Cb 1.08 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.72 3iu3 h LEU 138 CO 1.09 0.66 -1.24 0.45 -0.00 0.00 0.00 178.44 179.39 3iu3 h HIS 139 N -1.00 0.00 -6.17 1.13 3.86 -2.03 -3.48 115.15 107.46 3iu3 h HIS 139 Ca -0.00 0.00 -0.45 0.00 -1.16 0.00 0.00 60.37 58.76 3iu3 h HIS 139 Cb 0.37 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.86 3iu3 h HIS 139 CO 0.10 0.52 -0.75 0.54 0.86 0.00 0.00 177.93 179.20 3iu3 n ARG 140 N -2.92 -6.09 -3.35 2.45 1.74 -1.26 -5.01 116.66 102.22 3iu3 n ARG 140 Ca -0.07 0.66 -0.25 0.00 -0.77 0.00 0.00 57.85 57.42 3iu3 n ARG 140 Cb 0.80 -5.57 -0.02 0.00 -1.02 0.00 0.00 32.46 26.66 3iu3 n ARG 140 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3iu3 s GLY 141 N -3.42 1.48 -0.99 -0.13 0.00 -1.26 -4.98 107.32 98.01 3iu3 s GLY 141 Ca 0.58 -0.81 -0.25 0.00 0.00 0.00 0.00 44.72 44.23 3iu3 s GLY 141 CO 0.80 -0.74 2.14 2.56 0.00 0.00 0.00 173.10 177.87 3iu3 s PRO 142 N -4.13 1.74 -0.39 2.90 0.04 -1.26 -4.90 135.00 129.00 3iu3 s PRO 142 Ca 0.41 -0.28 -0.22 0.00 0.04 0.00 0.00 61.00 60.95 3iu3 s PRO 142 Cb -0.10 -4.98 0.01 0.00 0.04 0.00 0.00 34.50 29.47 3iu3 s PRO 142 CO 0.35 -4.61 0.75 0.00 0.04 0.00 0.00 177.00 173.53 3iu3 s ALA 143 N 14.26 3.40 -0.07 8.56 0.00 -1.26 -5.03 121.76 141.63 3iu3 s ALA 143 Ca 0.81 -0.80 -0.04 0.00 0.00 0.00 0.00 51.96 51.92 3iu3 s ALA 143 Cb -0.07 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 19.73 3iu3 s ALA 143 CO 0.11 -1.57 0.17 -1.83 0.00 0.00 0.00 175.76 172.64 3iu3 s GLU 144 N 3.06 0.15 -0.09 0.00 -1.05 -1.26 -3.21 118.70 116.29 3iu3 s GLU 144 Ca 0.29 0.33 -0.13 0.00 -0.15 0.00 0.00 54.97 55.31 3iu3 s GLU 144 Cb -0.13 -0.05 -0.05 0.00 -0.44 0.00 0.00 34.13 33.45 3iu3 s GLU 144 CO 0.18 -0.10 0.31 0.45 0.95 0.00 0.00 175.26 177.04 3iu3 s SER 145 N 0.72 6.57 -0.07 0.83 0.15 0.36 -4.47 113.70 117.79 3iu3 s SER 145 Ca -0.05 0.67 0.06 0.00 0.70 0.00 0.00 55.95 57.32 3iu3 s SER 145 Cb -0.07 -2.19 -0.01 0.00 -1.71 0.00 0.00 66.02 62.05 3iu3 s SER 145 CO -0.04 0.24 -0.24 -0.69 1.20 0.00 0.00 173.24 173.71 3iu3 s VAL 146 N -0.40 2.09 -0.34 4.45 1.01 -1.26 -0.58 120.40 125.36 3iu3 s VAL 146 Ca 0.19 -1.05 -0.20 0.00 0.00 0.00 0.00 61.98 60.92 3iu3 s VAL 146 Cb -0.14 -1.76 -0.00 0.00 0.00 0.00 0.00 36.38 34.47 3iu3 s VAL 146 CO 0.07 0.57 0.62 0.00 0.00 0.00 0.00 175.10 176.36 3iu3 s LYS 148 N 2.64 1.98 -0.78 0.00 1.02 -0.80 -1.09 119.74 122.71 3iu3 s LYS 148 Ca 0.24 -2.17 -0.01 0.00 0.02 0.00 0.00 55.97 54.05 3iu3 s LYS 148 Cb -0.15 -1.46 0.36 0.00 -0.52 0.00 0.00 37.83 36.06 3iu3 s LYS 148 CO 0.14 -0.17 1.83 -0.12 -0.92 0.00 0.00 175.35 176.11 3iu3 n MET 149 N -1.01 3.07 0.00 1.68 0.00 -1.26 -2.71 117.12 116.89 3iu3 n MET 149 Ca -0.09 -3.80 0.00 0.00 -0.00 0.00 0.00 57.70 53.81 3iu3 n MET 149 Cb 0.67 -2.28 0.00 0.00 0.00 0.00 0.00 33.22 31.61 3iu3 n MET 149 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 3iu3 n THR 150 N -0.49 0.00 0.00 1.12 -2.24 -1.20 -4.32 114.28 107.16 3iu3 n THR 150 Ca 0.50 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.28 3iu3 n THR 150 Cb 0.31 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 3iu3 n THR 150 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3iu3 n HIS 151 N 0.00 0.00 -0.36 4.78 -0.00 -1.26 -4.90 115.22 113.47 3iu3 n HIS 151 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3iu3 n HIS 151 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 29.99 29.97 3iu3 n HIS 151 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3iu3 n GLY 152 N 2.36 -0.06 3.36 -1.41 0.00 -1.26 -5.08 105.19 103.10 3iu3 n GLY 152 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.24 1.81 0.05 1.61 2.20 -1.26 -5.14 119.74 118.76 3iu3 s LYS 153 Ca 0.00 -2.07 -0.09 0.00 -0.36 0.00 0.00 55.97 53.46 3iu3 s LYS 153 Cb 0.00 0.01 -0.05 0.00 -1.51 0.00 0.00 37.83 36.28 3iu3 s LYS 153 CO 0.00 -0.59 0.35 0.95 -0.36 0.00 0.00 175.35 175.70 3iu3 s THR 154 N -3.39 5.17 0.16 3.43 -4.23 -1.26 -3.22 115.64 112.30 3iu3 s THR 154 Ca 0.35 0.35 -0.17 0.00 -1.18 0.00 0.00 61.69 61.04 3iu3 s THR 154 Cb 0.02 -3.62 0.03 0.00 1.34 0.00 0.00 72.50 70.28 3iu3 s THR 154 CO 0.23 0.32 0.46 -0.60 -0.54 0.00 0.00 174.62 174.49 3iu3 s ARG 155 N -1.84 1.21 0.00 3.99 3.52 -1.10 -4.90 118.95 119.84 3iu3 s ARG 155 Ca 0.31 -0.77 0.00 0.00 -0.13 0.00 0.00 55.73 55.14 3iu3 s ARG 155 Cb -0.14 0.50 0.00 0.00 -1.56 0.00 0.00 34.95 33.75 3iu3 s ARG 155 CO 0.17 -0.49 0.00 0.91 -0.81 0.00 0.00 175.30 175.08 3iu3 n TRP 156 N -0.28 0.00 -3.43 5.12 7.02 -1.26 -1.91 117.44 122.69 3iu3 n TRP 156 Ca -0.13 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.34 3iu3 n TRP 156 Cb 0.63 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.53 3iu3 n TRP 156 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 3iu3 n THR 157 N 0.00 0.00 0.00 -0.99 -2.24 -1.22 -4.62 114.28 105.21 3iu3 n THR 157 Ca 0.00 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3iu3 n THR 157 Cb 0.00 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 3iu3 n THR 157 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50