#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hm3 s GLN 2 N 0.00 1.96 0.21 2.12 0.74 -1.26 -0.19 119.66 123.25 3hm3 s GLN 2 Ca 0.00 -1.02 0.06 0.00 0.05 0.00 0.00 55.36 54.45 3hm3 s GLN 2 Cb 0.00 -2.02 -0.05 0.00 1.10 0.00 0.00 33.01 32.04 3hm3 s GLN 2 CO 0.00 0.54 -0.09 0.96 -0.55 0.00 0.00 175.29 176.15 3hm3 s ILE 3 N -0.72 1.46 0.05 -2.34 -4.36 -0.50 -0.16 121.20 114.63 3hm3 s ILE 3 Ca 0.11 -2.13 0.03 0.00 -0.26 0.00 0.00 60.65 58.41 3hm3 s ILE 3 Cb -0.10 -2.15 -0.04 0.00 1.25 0.00 0.00 42.46 41.42 3hm3 s ILE 3 CO 0.01 -0.51 -0.01 -0.36 0.24 0.00 0.00 174.94 174.31 3hm3 s PHE 4 N -3.14 3.00 -0.16 1.37 0.40 -0.55 -1.34 117.98 117.55 3hm3 s PHE 4 Ca 0.24 0.01 -0.00 0.00 -0.60 0.00 0.00 56.93 56.57 3hm3 s PHE 4 Cb 0.02 -1.59 0.04 0.00 0.51 0.00 0.00 43.02 42.00 3hm3 s PHE 4 CO 0.07 0.46 -0.06 0.08 0.70 0.00 0.00 175.22 176.47 3hm3 s VAL 5 N -1.19 1.17 -0.12 -0.44 1.01 0.60 -0.75 120.40 120.68 3hm3 s VAL 5 Ca 0.22 -0.64 -0.10 0.00 0.00 0.00 0.00 61.98 61.46 3hm3 s VAL 5 Cb -0.12 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 3hm3 s VAL 5 CO 0.14 0.16 0.21 -0.75 0.00 0.00 0.00 175.10 174.86 3hm3 s LYS 6 N 1.61 3.77 0.39 2.72 2.20 0.20 -0.76 119.74 129.87 3hm3 s LYS 6 Ca 0.01 -0.02 0.08 0.00 -0.36 0.00 0.00 55.97 55.68 3hm3 s LYS 6 Cb -0.15 -3.27 -0.01 0.00 -1.51 0.00 0.00 37.83 32.89 3hm3 s LYS 6 CO -0.08 0.60 0.42 0.95 -0.36 0.00 0.00 175.35 176.88 3hm3 s THR 7 N -0.59 3.12 0.66 3.43 -4.23 -0.58 -0.34 115.64 117.11 3hm3 s THR 7 Ca 0.16 -1.22 0.42 0.00 -1.18 0.00 0.00 61.69 59.86 3hm3 s THR 7 Cb -0.13 -3.09 0.43 0.00 1.34 0.00 0.00 72.50 71.04 3hm3 s THR 7 CO 0.05 -0.06 2.32 0.17 -0.54 0.00 0.00 174.62 176.55 3hm3 h LEU 8 N 0.97 0.00 -0.10 4.79 -0.00 -1.90 -1.41 115.31 117.66 3hm3 h LEU 8 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.46 3hm3 h LEU 8 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.93 3hm3 h LEU 8 CO 0.54 0.00 -0.09 0.35 -0.00 0.00 0.00 178.44 179.24 3hm3 n THR 9 N -3.12 0.00 -0.11 0.15 -2.24 -1.26 -4.89 114.28 102.80 3hm3 n THR 9 Ca -0.03 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3hm3 n THR 9 Cb 0.11 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 3hm3 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hm3 n GLY 10 N 1.33 0.67 3.77 3.38 0.00 -0.53 -5.03 105.19 108.78 3hm3 n GLY 10 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 3hm3 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hm3 s LYS 11 N -0.76 4.44 -0.07 1.61 2.20 -1.26 -4.81 119.74 121.08 3hm3 s LYS 11 Ca 0.00 1.54 0.04 0.00 -0.36 0.00 0.00 55.97 57.19 3hm3 s LYS 11 Cb 0.00 -2.82 -0.00 0.00 -1.51 0.00 0.00 37.83 33.49 3hm3 s LYS 11 CO 0.00 0.10 -0.21 0.99 -0.36 0.00 0.00 175.35 175.87 3hm3 s THR 12 N -1.48 1.80 0.20 3.43 2.01 -1.26 -1.53 115.64 118.81 3hm3 s THR 12 Ca 0.51 -0.89 0.11 0.00 0.31 0.00 0.00 61.69 61.73 3hm3 s THR 12 Cb -0.24 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 3hm3 s THR 12 CO 0.30 0.50 -0.18 0.27 -0.69 0.00 0.00 174.62 174.83 3hm3 s ILE 13 N 0.21 2.69 -0.11 1.82 -4.36 0.06 -4.94 121.20 116.57 3hm3 s ILE 13 Ca -0.12 -1.96 -0.01 0.00 -0.26 0.00 0.00 60.65 58.30 3hm3 s ILE 13 Cb -0.15 -2.33 -0.03 0.00 1.25 0.00 0.00 42.46 41.20 3hm3 s ILE 13 CO 0.06 -0.17 -0.06 -0.89 0.24 0.00 0.00 174.94 174.12 3hm3 s THR 14 N -1.83 3.69 0.06 8.37 2.01 -1.26 -0.29 115.64 126.40 3hm3 s THR 14 Ca 0.24 -0.46 0.09 0.00 0.31 0.00 0.00 61.69 61.87 3hm3 s THR 14 Cb -0.08 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 3hm3 s THR 14 CO 0.13 0.55 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.60 3hm3 s LEU 15 N -0.17 2.21 -0.22 4.42 1.43 -0.45 -4.99 118.68 120.90 3hm3 s LEU 15 Ca 0.02 -0.61 -0.14 0.00 -1.03 0.00 0.00 54.13 52.38 3hm3 s LEU 15 Cb -0.13 -1.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.91 3hm3 s LEU 15 CO 0.03 0.19 0.31 -1.61 0.23 0.00 0.00 176.35 175.50 3hm3 s GLU 16 N -1.43 4.12 0.26 1.70 0.41 -1.26 -1.41 118.70 121.09 3hm3 s GLU 16 Ca 0.10 0.00 0.03 0.00 -0.41 0.00 0.00 54.97 54.69 3hm3 s GLU 16 Cb -0.10 -3.55 -0.04 0.00 -1.78 0.00 0.00 34.13 28.66 3hm3 s GLU 16 CO 0.03 -0.03 0.18 0.14 -0.49 0.00 0.00 175.26 175.09 3hm3 s VAL 17 N 1.31 0.09 0.15 2.63 -7.23 0.74 -5.00 120.40 113.08 3hm3 s VAL 17 Ca 0.14 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.38 3hm3 s VAL 17 Cb -0.14 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 3hm3 s VAL 17 CO 0.07 0.00 -0.15 -1.61 -0.31 0.00 0.00 175.10 173.10 3hm3 s GLU 18 N -3.86 1.14 0.46 4.82 2.02 -1.26 -4.18 118.70 117.83 3hm3 s GLU 18 Ca 0.39 -1.36 0.17 0.00 0.02 0.00 0.00 54.97 54.18 3hm3 s GLU 18 Cb 0.05 -1.02 1.13 0.00 0.10 0.00 0.00 34.13 34.39 3hm3 s GLU 18 CO 0.18 0.19 1.98 -1.35 0.02 0.00 0.00 175.26 176.28 3hm3 h PRO 19 N 3.21 0.28 0.00 0.39 0.11 -1.97 -1.12 132.00 132.90 3hm3 h PRO 19 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3hm3 h PRO 19 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3hm3 h PRO 19 CO 0.54 0.19 0.00 -1.13 -0.21 0.00 0.00 178.00 177.39 3hm3 n SER 20 N -4.45 0.64 -4.71 -2.05 3.41 -1.26 -0.99 113.62 104.20 3hm3 n SER 20 Ca 0.10 0.61 -0.42 0.00 -0.26 0.00 0.00 58.87 58.90 3hm3 n SER 20 Cb 0.44 -0.76 -0.03 0.00 -0.26 0.00 0.00 64.21 63.59 3hm3 n SER 20 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3hm3 n ASP 21 N -2.15 3.98 -4.79 4.04 10.43 -0.43 -4.72 116.55 122.90 3hm3 n ASP 21 Ca 0.04 1.05 -0.31 0.00 2.57 0.00 0.00 54.79 58.14 3hm3 n ASP 21 Cb 0.30 -1.57 0.07 0.00 1.84 0.00 0.00 41.12 41.77 3hm3 n ASP 21 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3hm3 s THR 22 N 1.37 3.65 0.32 -3.53 -4.23 -1.26 -1.65 115.64 110.31 3hm3 s THR 22 Ca 0.76 0.54 0.01 0.00 -1.18 0.00 0.00 61.69 61.81 3hm3 s THR 22 Cb -0.51 -3.16 0.27 0.00 1.34 0.00 0.00 72.50 70.44 3hm3 s THR 22 CO 0.33 -0.70 1.97 0.40 -0.54 0.00 0.00 174.62 176.09 3hm3 h ILE 23 N -0.94 1.15 -0.00 2.99 1.08 -0.94 -1.75 117.51 119.10 3hm3 h ILE 23 Ca -0.44 -0.34 -0.05 0.00 -0.39 0.00 0.00 64.86 63.64 3hm3 h ILE 23 Cb 1.22 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 35.06 3hm3 h ILE 23 CO 0.54 0.18 -0.26 -0.08 -0.69 0.00 0.00 178.15 177.85 3hm3 h GLU 24 N 0.98 0.01 -0.54 2.37 4.57 -1.44 -0.21 114.58 120.32 3hm3 h GLU 24 Ca 0.29 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.46 3hm3 h GLU 24 Cb -0.03 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.53 3hm3 h GLU 24 CO -0.08 0.26 0.31 -0.91 -1.18 0.00 0.00 179.01 177.42 3hm3 h ASN 25 N 0.01 0.67 -0.66 1.04 -0.26 -1.61 -1.99 115.58 112.78 3hm3 h ASN 25 Ca -0.00 -0.08 -0.03 0.00 -0.56 0.00 0.00 56.30 55.63 3hm3 h ASN 25 Cb 0.46 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.52 3hm3 h ASN 25 CO 0.03 0.55 0.29 0.58 -1.06 0.00 0.00 177.43 177.82 3hm3 h VAL 26 N 0.73 1.23 -0.85 2.81 2.07 -0.80 -0.86 116.25 120.58 3hm3 h VAL 26 Ca 0.19 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 3hm3 h VAL 26 Cb 0.03 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 3hm3 h VAL 26 CO -0.03 0.28 0.43 0.11 0.02 0.00 0.00 177.57 178.38 3hm3 h LYS 27 N 0.92 1.21 -0.79 1.57 1.57 -0.95 -1.28 116.57 118.81 3hm3 h LYS 27 Ca 0.22 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 3hm3 h LYS 27 Cb 0.17 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 3hm3 h LYS 27 CO -0.02 0.91 0.34 0.00 -0.57 0.00 0.00 179.45 180.10 3hm3 h ALA 28 N 1.27 1.10 -0.33 3.86 0.00 -0.90 0.91 119.26 125.17 3hm3 h ALA 28 Ca 0.30 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3hm3 h ALA 28 Cb 0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3hm3 h ALA 28 CO -0.04 0.65 -0.11 0.87 0.00 0.00 0.00 179.25 180.62 3hm3 h LYS 29 N 1.14 0.56 -0.38 0.00 1.57 -0.61 -0.87 116.57 117.98 3hm3 h LYS 29 Ca 0.27 -0.17 -0.15 0.00 -1.87 0.00 0.00 60.65 58.73 3hm3 h LYS 29 Cb 0.18 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3hm3 h LYS 29 CO -0.03 0.67 -0.36 0.82 -0.57 0.00 0.00 179.45 179.98 3hm3 h ILE 30 N 0.52 1.27 -0.93 1.86 2.04 -0.88 -1.52 117.51 119.87 3hm3 h ILE 30 Ca 0.10 -1.53 0.01 0.00 1.00 0.00 0.00 64.86 64.44 3hm3 h ILE 30 Cb 0.51 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 3hm3 h ILE 30 CO 0.03 0.51 0.62 -0.61 0.00 0.00 0.00 178.15 178.70 3hm3 h GLN 31 N 0.74 1.21 -0.53 2.37 4.15 -0.61 0.19 115.11 122.63 3hm3 h GLN 31 Ca 0.07 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 3hm3 h GLN 31 Cb 0.94 -0.27 -0.02 0.00 0.21 0.00 0.00 27.48 28.34 3hm3 h GLN 31 CO 0.09 0.80 0.19 -0.44 -1.93 0.00 0.00 178.83 177.54 3hm3 h ASP 32 N 1.25 0.76 0.03 -0.69 3.45 -0.87 0.30 116.42 120.65 3hm3 h ASP 32 Ca 0.35 -0.19 -0.13 0.00 0.43 0.00 0.00 57.03 57.48 3hm3 h ASP 32 Cb -0.12 -0.20 0.01 0.00 -0.56 0.00 0.00 39.33 38.47 3hm3 h ASP 32 CO -0.08 0.75 -0.54 0.11 -1.57 0.00 0.00 179.24 177.91 3hm3 h LYS 33 N 0.73 0.31 0.00 3.56 1.57 -0.98 -3.40 116.57 118.36 3hm3 h LYS 33 Ca 0.17 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 3hm3 h LYS 33 Cb 0.25 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3hm3 h LYS 33 CO -0.01 1.09 -0.60 0.39 -0.57 0.00 0.00 179.45 179.75 3hm3 n GLU 34 N -4.28 3.31 -1.31 3.15 -0.58 0.64 -5.02 120.64 116.55 3hm3 n GLU 34 Ca -0.11 -0.01 -0.05 0.00 -0.42 0.00 0.00 57.16 56.56 3hm3 n GLU 34 Cb 0.66 -1.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.51 3hm3 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hm3 n GLY 35 N 1.33 0.68 3.65 0.62 0.00 0.10 -5.00 105.19 106.58 3hm3 n GLY 35 Ca 0.01 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.86 3hm3 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hm3 s ILE 36 N -2.21 5.27 0.46 -0.61 1.01 -1.26 -4.99 121.20 118.87 3hm3 s ILE 36 Ca 0.00 0.43 -0.25 0.00 0.00 0.00 0.00 60.65 60.83 3hm3 s ILE 36 Cb 0.00 -3.62 -0.08 0.00 0.01 0.00 0.00 42.46 38.77 3hm3 s ILE 36 CO 0.00 0.27 1.43 -2.84 0.00 0.00 0.00 174.94 173.80 3hm3 s PRO 37 N 1.41 3.63 0.49 2.79 0.02 -1.26 -3.82 135.00 138.26 3hm3 s PRO 37 Ca 0.13 2.43 0.20 0.00 0.02 0.00 0.00 61.00 63.77 3hm3 s PRO 37 Cb -0.15 -2.62 1.24 0.00 0.02 0.00 0.00 34.50 32.99 3hm3 s PRO 37 CO 0.07 -0.87 2.02 -1.35 -0.33 0.00 0.00 177.00 176.54 3hm3 h PRO 38 N 2.25 0.14 0.00 5.54 0.11 -1.96 -1.61 132.00 136.47 3hm3 h PRO 38 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3hm3 h PRO 38 Cb 1.27 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hm3 h PRO 38 CO 0.61 0.09 0.00 -0.40 -0.21 0.00 0.00 178.00 178.09 3hm3 n ASP 39 N -4.44 0.37 -0.12 -2.05 5.68 -1.26 -1.37 116.55 113.36 3hm3 n ASP 39 Ca 0.08 0.57 0.13 0.00 -0.50 0.00 0.00 54.79 55.07 3hm3 n ASP 39 Cb 0.44 -0.66 0.36 0.00 -1.14 0.00 0.00 41.12 40.12 3hm3 n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hm3 n GLN 40 N -1.89 0.45 -3.83 0.11 6.02 -0.61 -4.90 117.38 112.73 3hm3 n GLN 40 Ca 0.04 -0.25 -0.36 0.00 -0.01 0.00 0.00 57.00 56.42 3hm3 n GLN 40 Cb 0.25 -1.49 -0.07 0.00 1.02 0.00 0.00 30.24 29.95 3hm3 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3hm3 s GLN 41 N -2.72 3.73 -0.09 -1.09 -0.21 -0.47 -0.42 119.66 118.38 3hm3 s GLN 41 Ca 0.19 -0.17 0.04 0.00 0.02 0.00 0.00 55.36 55.44 3hm3 s GLN 41 Cb 0.19 -3.27 -0.00 0.00 1.00 0.00 0.00 33.01 30.92 3hm3 s GLN 41 CO 0.59 0.59 -0.24 1.03 -2.12 0.00 0.00 175.29 175.14 3hm3 s ARG 42 N -0.47 2.92 -0.09 2.91 1.81 0.56 -4.91 118.95 121.67 3hm3 s ARG 42 Ca 0.12 -0.88 -0.00 0.00 -1.72 0.00 0.00 55.73 53.25 3hm3 s ARG 42 Cb -0.12 -2.27 -0.03 0.00 -0.45 0.00 0.00 34.95 32.08 3hm3 s ARG 42 CO 0.02 0.24 -0.07 -0.51 -0.68 0.00 0.00 175.30 174.30 3hm3 s LEU 43 N 0.19 3.14 -0.05 2.53 1.43 -1.26 -0.80 118.68 123.86 3hm3 s LEU 43 Ca -0.14 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 52.92 3hm3 s LEU 43 Cb -0.17 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.35 3hm3 s LEU 43 CO 0.07 0.30 -0.15 -0.63 0.23 0.00 0.00 176.35 176.17 3hm3 s ILE 44 N -0.44 1.31 -0.04 -0.59 -1.09 -0.13 -0.98 121.20 119.24 3hm3 s ILE 44 Ca 0.06 -0.63 0.01 0.00 -2.23 0.00 0.00 60.65 57.86 3hm3 s ILE 44 Cb -0.12 -1.14 0.02 0.00 -1.58 0.00 0.00 42.46 39.64 3hm3 s ILE 44 CO 0.02 0.38 -0.03 0.12 -1.23 0.00 0.00 174.94 174.21 3hm3 s PHE 45 N 0.18 0.60 -1.52 3.97 5.36 0.42 -1.22 117.98 125.77 3hm3 s PHE 45 Ca -0.06 -0.14 -0.06 0.00 -0.96 0.00 0.00 56.93 55.71 3hm3 s PHE 45 Cb -0.12 -0.59 0.01 0.00 -0.34 0.00 0.00 43.02 41.98 3hm3 s PHE 45 CO 0.02 -0.18 0.73 0.00 -1.46 0.00 0.00 175.22 174.33 3hm3 n ALA 46 N 4.15 -1.05 -0.95 11.12 0.00 -1.26 -1.29 120.51 131.23 3hm3 n ALA 46 Ca -0.24 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3hm3 n ALA 46 Cb 0.51 -4.23 0.00 0.00 0.00 0.00 0.00 19.45 15.72 3hm3 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hm3 n GLY 47 N -1.63 0.57 3.32 0.00 0.00 -1.26 -5.00 105.19 101.19 3hm3 n GLY 47 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 3hm3 n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hm3 s LYS 48 N -0.34 2.63 -0.10 1.61 2.20 -0.41 -5.08 119.74 120.25 3hm3 s LYS 48 Ca 0.00 -0.84 -0.29 0.00 -0.36 0.00 0.00 55.97 54.47 3hm3 s LYS 48 Cb 0.00 -2.25 -0.01 0.00 -1.51 0.00 0.00 37.83 34.05 3hm3 s LYS 48 CO 0.00 0.41 0.99 -1.14 -0.36 0.00 0.00 175.35 175.25 3hm3 s GLN 49 N -0.22 4.43 0.24 4.03 0.74 -1.26 -0.43 119.66 127.18 3hm3 s GLN 49 Ca -0.01 1.37 -0.20 0.00 0.05 0.00 0.00 55.36 56.57 3hm3 s GLN 49 Cb -0.13 -3.54 -0.08 0.00 1.10 0.00 0.00 33.01 30.36 3hm3 s GLN 49 CO 0.03 -0.30 0.74 -0.51 -0.55 0.00 0.00 175.29 174.70 3hm3 s LEU 50 N 1.95 4.32 -0.10 3.68 1.43 -0.15 -4.98 118.68 124.83 3hm3 s LEU 50 Ca 0.48 1.43 -0.02 0.00 -1.03 0.00 0.00 54.13 55.00 3hm3 s LEU 50 Cb -0.18 -3.66 -0.03 0.00 0.03 0.00 0.00 46.19 42.35 3hm3 s LEU 50 CO 0.18 0.00 -0.03 -1.61 0.23 0.00 0.00 176.35 175.13 3hm3 s GLU 51 N -2.07 3.07 0.48 1.70 2.02 -1.26 -4.69 118.70 117.93 3hm3 s GLU 51 Ca 0.44 -0.47 0.23 0.00 0.02 0.00 0.00 54.97 55.19 3hm3 s GLU 51 Cb -0.16 -2.76 1.26 0.00 0.10 0.00 0.00 34.13 32.56 3hm3 s GLU 51 CO 0.21 0.59 1.91 -0.44 0.02 0.00 0.00 175.26 177.55 3hm3 h ASP 52 N 5.51 0.20 0.15 -0.19 3.45 -1.97 -2.15 116.42 121.42 3hm3 h ASP 52 Ca -0.46 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.02 3hm3 h ASP 52 Cb 1.18 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.93 3hm3 h ASP 52 CO 0.56 0.09 -0.27 0.61 -1.57 0.00 0.00 179.24 178.65 3hm3 n GLY 53 N -1.60 -0.37 3.96 2.75 0.00 -1.26 -1.18 105.19 107.49 3hm3 n GLY 53 Ca 0.16 -0.47 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 3hm3 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hm3 s ARG 54 N -2.44 3.20 0.41 1.61 0.52 -0.81 -4.86 118.95 116.58 3hm3 s ARG 54 Ca 0.24 -0.63 0.08 0.00 -0.52 0.00 0.00 55.73 54.91 3hm3 s ARG 54 Cb 0.19 -2.68 -0.01 0.00 0.52 0.00 0.00 34.95 32.97 3hm3 s ARG 54 CO 0.51 -0.03 0.44 0.95 0.02 0.00 0.00 175.30 177.19 3hm3 s THR 55 N -2.35 2.93 0.21 0.02 -4.23 -1.26 -0.95 115.64 110.02 3hm3 s THR 55 Ca 0.44 -1.22 -0.06 0.00 -1.18 0.00 0.00 61.69 59.68 3hm3 s THR 55 Cb -0.10 -3.04 0.07 0.00 1.34 0.00 0.00 72.50 70.77 3hm3 s THR 55 CO 0.35 -0.03 1.67 -0.07 -0.54 0.00 0.00 174.62 176.00 3hm3 h LEU 56 N 0.92 0.90 -0.96 4.79 3.38 -1.29 -1.77 115.31 121.27 3hm3 h LEU 56 Ca -0.42 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.23 3hm3 h LEU 56 Cb 1.27 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 3hm3 h LEU 56 CO 0.53 0.99 0.05 -1.28 0.09 0.00 0.00 178.44 178.83 3hm3 h SER 57 N 0.83 0.77 -0.99 -0.43 0.87 -1.30 -1.30 113.55 112.00 3hm3 h SER 57 Ca 0.14 -0.17 0.14 0.00 -1.23 0.00 0.00 61.79 60.68 3hm3 h SER 57 Cb 0.58 -0.20 -0.09 0.00 -0.44 0.00 0.00 62.40 62.25 3hm3 h SER 57 CO 0.04 0.80 0.62 0.44 -0.53 0.00 0.00 176.83 178.20 3hm3 h ASP 58 N 0.77 0.86 -0.38 6.23 3.32 -1.61 -1.41 116.42 124.20 3hm3 h ASP 58 Ca 0.16 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3hm3 h ASP 58 Cb 0.39 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3hm3 h ASP 58 CO 0.01 0.42 0.00 -1.22 -1.72 0.00 0.00 179.24 176.73 3hm3 n TYR 59 N -4.65 0.50 -3.36 4.55 4.02 -0.77 -4.93 117.16 112.53 3hm3 n TYR 59 Ca 0.20 -0.25 -0.24 0.00 -0.01 0.00 0.00 57.90 57.59 3hm3 n TYR 59 Cb 0.43 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.78 3hm3 n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3hm3 n ASN 60 N 0.80 -5.39 -4.64 7.72 5.15 -0.53 -4.95 115.26 113.43 3hm3 n ASN 60 Ca 0.16 -0.44 -0.42 0.00 -0.60 0.00 0.00 54.58 53.28 3hm3 n ASN 60 Cb 0.40 -4.34 -0.04 0.00 -0.53 0.00 0.00 39.78 35.28 3hm3 n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3hm3 s ILE 61 N -3.17 4.77 0.42 -1.44 1.01 -0.56 -5.03 121.20 117.20 3hm3 s ILE 61 Ca 0.44 1.59 0.07 0.00 0.00 0.00 0.00 60.65 62.75 3hm3 s ILE 61 Cb -0.21 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 38.05 3hm3 s ILE 61 CO 0.54 -0.16 0.30 -1.10 0.00 0.00 0.00 174.94 174.52 3hm3 s GLN 62 N 2.99 2.39 0.20 2.79 -1.52 -1.26 -4.52 119.66 120.73 3hm3 s GLN 62 Ca 0.37 -1.70 -0.32 0.00 -1.95 0.00 0.00 55.36 51.76 3hm3 s GLN 62 Cb -0.15 -2.19 -0.15 0.00 -0.22 0.00 0.00 33.01 30.30 3hm3 s GLN 62 CO 0.09 -0.19 1.28 1.17 -0.25 0.00 0.00 175.29 177.39 3hm3 n LYS 63 N -1.44 1.57 -1.00 2.91 4.81 -1.26 -1.32 118.16 122.42 3hm3 n LYS 63 Ca 0.01 0.56 -0.00 0.00 -0.87 0.00 0.00 58.31 58.01 3hm3 n LYS 63 Cb 0.63 -2.13 -0.00 0.00 0.02 0.00 0.00 35.03 33.55 3hm3 n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3hm3 n GLU 64 N 1.92 -0.81 -1.94 1.64 1.02 0.78 -5.01 120.64 118.25 3hm3 n GLU 64 Ca 0.14 0.21 -0.34 0.00 -0.02 0.00 0.00 57.16 57.15 3hm3 n GLU 64 Cb 0.28 -3.82 0.03 0.00 -0.02 0.00 0.00 31.44 27.90 3hm3 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3hm3 s SER 65 N -2.01 5.29 -0.15 1.62 0.01 -0.43 -4.75 113.70 113.27 3hm3 s SER 65 Ca 0.00 2.10 -0.00 0.00 1.31 0.00 0.00 55.95 59.36 3hm3 s SER 65 Cb 0.00 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.66 3hm3 s SER 65 CO 0.00 -1.51 -0.13 -0.89 0.41 0.00 0.00 173.24 171.11 3hm3 s THR 66 N -2.08 2.88 0.13 1.44 2.01 -1.26 -1.48 115.64 117.28 3hm3 s THR 66 Ca 0.70 -0.70 0.02 0.00 0.31 0.00 0.00 61.69 62.02 3hm3 s THR 66 Cb -0.23 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 3hm3 s THR 66 CO 0.36 0.51 0.24 -0.76 -0.69 0.00 0.00 174.62 174.28 3hm3 s LEU 67 N 0.67 4.24 -0.13 4.42 1.43 0.07 -4.76 118.68 124.61 3hm3 s LEU 67 Ca -0.07 0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 53.15 3hm3 s LEU 67 Cb -0.15 -2.83 -0.03 0.00 0.03 0.00 0.00 46.19 43.21 3hm3 s LEU 67 CO 0.02 0.09 -0.06 -1.00 0.23 0.00 0.00 176.35 175.63 3hm3 s HIS 68 N -1.67 2.96 -0.28 0.29 3.76 -0.36 -0.63 115.29 119.36 3hm3 s HIS 68 Ca 0.34 -0.29 -0.10 0.00 -0.15 0.00 0.00 55.06 54.85 3hm3 s HIS 68 Cb -0.11 -1.88 -0.04 0.00 1.11 0.00 0.00 32.58 31.66 3hm3 s HIS 68 CO 0.27 0.01 0.16 -1.17 -0.85 0.00 0.00 174.74 173.17 3hm3 s LEU 69 N 0.09 3.93 -0.15 0.89 2.96 0.53 -0.95 118.68 125.98 3hm3 s LEU 69 Ca -0.02 -0.14 -0.02 0.00 -0.22 0.00 0.00 54.13 53.72 3hm3 s LEU 69 Cb -0.14 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 3hm3 s LEU 69 CO 0.03 -0.08 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.22 3hm3 s VAL 70 N 1.71 3.52 -0.09 1.68 1.01 0.02 -3.98 120.40 124.26 3hm3 s VAL 70 Ca 0.07 -0.49 -0.16 0.00 0.00 0.00 0.00 61.98 61.39 3hm3 s VAL 70 Cb -0.16 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 3hm3 s VAL 70 CO 0.09 0.50 0.41 -0.76 0.00 0.00 0.00 175.10 175.34 3hm3 s LEU 71 N 0.40 4.33 0.18 3.92 1.02 -1.26 -0.32 118.68 126.95 3hm3 s LEU 71 Ca -0.07 0.79 -0.32 0.00 0.02 0.00 0.00 54.13 54.55 3hm3 s LEU 71 Cb -0.15 -2.59 -0.12 0.00 0.02 0.00 0.00 46.19 43.35 3hm3 s LEU 71 CO 0.04 0.12 1.72 0.54 0.02 0.00 0.00 176.35 178.79 3hm3 n ARG 72 N 3.08 2.65 -1.33 1.70 5.12 0.43 -4.93 116.66 123.39 3hm3 n ARG 72 Ca -0.10 0.96 -0.58 0.00 -1.93 0.00 0.00 57.85 56.20 3hm3 n ARG 72 Cb 0.52 -2.80 -0.10 0.00 -1.16 0.00 0.00 32.46 28.92 3hm3 n ARG 72 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3hm3 n LEU 73 N 4.18 1.18 -4.67 0.55 4.32 -1.26 -4.86 117.00 116.45 3hm3 n LEU 73 Ca 0.17 0.62 -0.45 0.00 -0.02 0.00 0.00 56.01 56.33 3hm3 n LEU 73 Cb 0.34 -1.01 -0.04 0.00 -1.62 0.00 0.00 43.42 41.09 3hm3 n LEU 73 CO 0.64 -0.75 1.53 -1.14 -1.22 0.00 0.00 177.39 176.45 3hm3 n ARG 74 N 7.57 2.52 -0.75 3.23 0.63 -1.26 0.14 116.66 128.74 3hm3 n ARG 74 Ca 0.50 0.92 0.00 0.00 -0.92 0.00 0.00 57.85 58.35 3hm3 n ARG 74 Cb 0.04 -2.82 0.00 0.00 0.45 0.00 0.00 32.46 30.13 3hm3 n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hm3 n GLY 75 N 4.44 0.86 3.82 5.14 0.00 -1.26 -5.30 105.19 112.90 3hm3 n GLY 75 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3hm3 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93