#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hb7 n PHE -2 N 0.00 0.00 -2.42 -0.72 3.72 -1.26 -4.94 117.46 111.84 3hb7 n PHE -2 Ca 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.32 3hb7 n PHE -2 Cb 0.00 -0.16 0.04 0.00 -0.94 0.00 0.00 39.48 38.42 3hb7 n PHE -2 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3hb7 n GLN -1 N -1.87 0.40 0.00 -1.08 1.13 -1.26 -4.71 117.38 110.00 3hb7 n GLN -1 Ca -0.03 -0.96 0.00 0.00 -1.94 0.00 0.00 57.00 54.06 3hb7 n GLN -1 Cb 0.33 -0.22 0.00 0.00 0.11 0.00 0.00 30.24 30.46 3hb7 n GLN -1 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hb7 n GLY 0 N 2.33 2.25 0.00 1.08 0.00 -1.26 -4.94 105.19 104.65 3hb7 n GLY 0 Ca 0.06 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3hb7 n GLY 0 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hb7 n ALA 2 N 0.07 0.00 -3.45 4.61 0.00 -1.26 -5.22 120.51 115.26 3hb7 n ALA 2 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 3hb7 n ALA 2 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 3hb7 n ALA 2 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3hb7 s LYS 3 N -2.39 1.88 0.08 0.00 2.20 -1.26 -4.86 119.74 115.39 3hb7 s LYS 3 Ca 0.00 -0.47 0.10 0.00 -0.36 0.00 0.00 55.97 55.24 3hb7 s LYS 3 Cb 0.00 -1.53 -0.03 0.00 -1.51 0.00 0.00 37.83 34.75 3hb7 s LYS 3 CO 0.00 0.04 -0.27 -1.01 -0.36 0.00 0.00 175.35 173.75 3hb7 s HIS 4 N 0.66 2.31 -0.15 4.03 3.76 0.12 -1.89 115.29 124.13 3hb7 s HIS 4 Ca -0.14 -0.40 0.01 0.00 -0.15 0.00 0.00 55.06 54.38 3hb7 s HIS 4 Cb -0.16 -1.34 0.00 0.00 1.11 0.00 0.00 32.58 32.20 3hb7 s HIS 4 CO 0.04 0.20 -0.18 0.00 -0.85 0.00 0.00 174.74 173.95 3hb7 s ALA 5 N -0.90 2.39 -0.27 -1.40 0.00 -0.16 -0.97 121.76 120.45 3hb7 s ALA 5 Ca 0.12 -1.06 -0.15 0.00 0.00 0.00 0.00 51.96 50.88 3hb7 s ALA 5 Cb -0.10 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 3hb7 s ALA 5 CO 0.03 -0.00 0.36 0.42 0.00 0.00 0.00 175.76 176.57 3hb7 s ILE 6 N 0.78 5.18 -0.21 0.00 1.01 -0.15 -0.38 121.20 127.43 3hb7 s ILE 6 Ca -0.07 0.56 -0.09 0.00 0.00 0.00 0.00 60.65 61.05 3hb7 s ILE 6 Cb -0.16 -3.69 -0.05 0.00 0.01 0.00 0.00 42.46 38.58 3hb7 s ILE 6 CO -0.00 0.17 0.12 -0.76 0.00 0.00 0.00 174.94 174.46 3hb7 s LEU 7 N 2.00 4.01 -0.28 2.97 1.43 -0.56 -0.74 118.68 127.51 3hb7 s LEU 7 Ca 0.15 0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 53.34 3hb7 s LEU 7 Cb -0.16 -2.05 0.03 0.00 0.03 0.00 0.00 46.19 44.04 3hb7 s LEU 7 CO 0.10 0.13 -0.01 -0.69 0.23 0.00 0.00 176.35 176.11 3hb7 s VAL 8 N 0.67 3.19 -0.38 -1.59 1.01 -0.40 -1.92 120.40 120.98 3hb7 s VAL 8 Ca 0.06 -1.04 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 3hb7 s VAL 8 Cb -0.12 -2.69 0.05 0.00 0.00 0.00 0.00 36.38 33.62 3hb7 s VAL 8 CO 0.01 0.08 0.21 -0.63 0.00 0.00 0.00 175.10 174.77 3hb7 s ILE 9 N 1.35 4.32 0.32 2.22 -1.09 -1.01 -0.45 121.20 126.86 3hb7 s ILE 9 Ca -0.01 -1.09 0.00 0.00 -2.23 0.00 0.00 60.65 57.32 3hb7 s ILE 9 Cb -0.18 -3.50 0.00 0.00 -1.58 0.00 0.00 42.46 37.21 3hb7 s ILE 9 CO -0.02 -0.32 0.00 0.47 -1.23 0.00 0.00 174.94 173.84 3hb7 n ASP 10 N 4.94 -8.03 0.00 3.58 8.00 -0.84 -2.23 116.55 121.97 3hb7 n ASP 10 Ca -0.11 1.34 0.00 0.00 0.71 0.00 0.00 54.79 56.73 3hb7 n ASP 10 Cb 0.45 -4.64 0.00 0.00 -0.02 0.00 0.00 41.12 36.90 3hb7 n ASP 10 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3hb7 n LEU 12 N 0.67 0.00 -0.20 0.64 4.77 -1.26 -4.76 117.00 116.86 3hb7 n LEU 12 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3hb7 n LEU 12 Cb 0.00 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.32 3hb7 n LEU 12 CO 0.00 0.00 1.18 0.78 -1.33 0.00 0.00 177.39 178.02 3hb7 h ASN 13 N 0.00 0.85 -0.33 -1.43 2.35 -1.03 -0.10 115.58 115.89 3hb7 h ASN 13 Ca 0.00 -0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.64 3hb7 h ASN 13 Cb 0.00 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 3hb7 h ASN 13 CO 0.00 0.66 0.02 0.44 -1.65 0.00 0.00 177.43 176.91 3hb7 h ASP 14 N 0.98 0.63 0.00 5.81 3.32 -1.48 -3.35 116.42 122.33 3hb7 h ASP 14 Ca 0.25 -0.13 -0.21 0.00 0.02 0.00 0.00 57.03 56.97 3hb7 h ASP 14 Cb -0.02 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 3hb7 h ASP 14 CO -0.05 0.68 -2.10 0.49 -1.72 0.00 0.00 179.24 176.55 3hb7 n PHE 15 N -4.26 0.00 -4.45 4.55 3.72 -0.71 -0.40 117.46 115.91 3hb7 n PHE 15 Ca 0.02 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.09 3hb7 n PHE 15 Cb 0.26 -0.72 -0.15 0.00 -0.94 0.00 0.00 39.48 37.94 3hb7 n PHE 15 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3hb7 s VAL 16 N -2.76 2.96 0.00 -4.37 1.01 -0.13 -0.39 120.40 116.71 3hb7 s VAL 16 Ca -0.08 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.23 3hb7 s VAL 16 Cb 0.08 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 34.19 3hb7 s VAL 16 CO 0.75 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.96 3hb7 n GLY 17 N 4.05 3.33 0.30 4.51 0.00 -1.26 -4.62 105.19 111.48 3hb7 n GLY 17 Ca -0.19 -1.90 0.02 0.00 0.00 0.00 0.00 46.02 43.96 3hb7 n GLY 17 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hb7 h GLU 18 N 0.00 0.55 -0.07 1.61 3.07 -1.96 -1.98 114.58 115.80 3hb7 h GLU 18 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 3hb7 h GLU 18 Cb 0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 27.80 3hb7 h GLU 18 CO 0.00 0.44 0.00 0.36 -1.40 0.00 0.00 179.01 178.41 3hb7 n LYS 19 N -4.40 1.76 -1.83 2.33 -0.00 -1.26 -4.95 118.16 109.81 3hb7 n LYS 19 Ca 0.03 -1.12 -0.42 0.00 -0.00 0.00 0.00 58.31 56.80 3hb7 n LYS 19 Cb 0.13 -1.46 -0.02 0.00 -0.00 0.00 0.00 35.03 33.68 3hb7 n LYS 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3hb7 s ALA 20 N -1.93 3.78 0.37 0.58 0.00 -0.75 -4.87 121.76 118.95 3hb7 s ALA 20 Ca 0.36 1.50 0.06 0.00 0.00 0.00 0.00 51.96 53.88 3hb7 s ALA 20 Cb 0.20 -3.64 0.74 0.00 0.00 0.00 0.00 23.12 20.41 3hb7 s ALA 20 CO 0.31 -0.89 1.95 -1.35 0.00 0.00 0.00 175.76 175.79 3hb7 h PRO 21 N 5.75 0.48 -0.72 0.00 0.11 -1.79 -2.77 132.00 133.06 3hb7 h PRO 21 Ca -0.45 -0.07 -0.53 0.00 0.11 0.00 0.00 66.00 65.06 3hb7 h PRO 21 Cb 1.21 -0.09 -0.40 0.00 0.11 0.00 0.00 31.00 31.84 3hb7 h PRO 21 CO 0.86 0.45 -0.69 1.28 -0.21 0.00 0.00 178.00 179.68 3hb7 n LEU 22 N -4.36 4.98 -4.73 2.35 4.77 0.46 -5.06 117.00 115.42 3hb7 n LEU 22 Ca 0.02 -4.67 -0.42 0.00 -0.03 0.00 0.00 56.01 50.91 3hb7 n LEU 22 Cb 0.17 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 40.85 3hb7 n LEU 22 CO 0.37 2.02 1.32 -0.60 -1.33 0.00 0.00 177.39 179.18 3hb7 s ARG 23 N -3.59 4.12 -0.31 3.23 3.52 -1.05 -4.44 118.95 120.43 3hb7 s ARG 23 Ca 0.51 2.60 -0.11 0.00 -0.13 0.00 0.00 55.73 58.61 3hb7 s ARG 23 Cb 0.41 -3.05 -0.02 0.00 -1.56 0.00 0.00 34.95 30.74 3hb7 s ARG 23 CO 0.03 -0.71 0.19 0.00 -0.81 0.00 0.00 175.30 174.01 3hb7 h PRO 25 N 8.41 0.53 -0.30 0.00 0.11 -1.78 -2.62 132.00 136.36 3hb7 h PRO 25 Ca -0.33 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 3hb7 h PRO 25 Cb 1.16 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3hb7 h PRO 25 CO 0.61 0.47 0.12 0.78 -0.21 0.00 0.00 178.00 179.77 3hb7 h GLY 26 N 0.72 0.44 1.23 -0.55 0.00 -1.67 -3.31 103.07 99.94 3hb7 h GLY 26 Ca 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3hb7 h GLY 26 CO -0.01 0.18 0.49 -1.33 0.00 0.00 0.00 176.54 175.87 3hb7 h GLY 27 N 0.54 1.09 1.65 4.60 0.00 -1.70 -2.54 103.07 106.72 3hb7 h GLY 27 Ca 0.10 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 3hb7 h GLY 27 CO -0.01 0.42 0.02 1.05 0.00 0.00 0.00 176.54 178.01 3hb7 h GLU 28 N 1.05 0.44 0.00 4.80 4.11 -1.76 -2.68 114.58 120.53 3hb7 h GLU 28 Ca 0.28 -0.08 -0.01 0.00 0.07 0.00 0.00 59.36 59.61 3hb7 h GLU 28 Cb -0.08 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 3hb7 h GLU 28 CO -0.06 0.45 -0.07 1.79 0.07 0.00 0.00 179.01 181.20 3hb7 h THR 29 N 0.43 0.22 -0.24 -1.06 1.35 -1.66 -3.02 112.91 108.92 3hb7 h THR 29 Ca 0.10 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3hb7 h THR 29 Cb 0.26 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 3hb7 h THR 29 CO 0.00 0.07 0.00 2.30 -0.25 0.00 0.00 175.52 177.64 3hb7 n ILE 30 N -3.25 0.29 -0.12 6.82 -5.35 -1.01 -4.59 119.36 112.16 3hb7 n ILE 30 Ca -0.00 -0.63 -0.09 0.00 -0.27 0.00 0.00 62.75 61.76 3hb7 n ILE 30 Cb 0.29 1.16 -0.01 0.00 -1.74 0.00 0.00 39.64 39.34 3hb7 n ILE 30 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 3hb7 h ILE 31 N 4.48 1.15 -0.76 7.28 2.04 -1.61 -2.01 117.51 128.08 3hb7 h ILE 31 Ca 0.00 -0.39 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 3hb7 h ILE 31 Cb 0.97 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 3hb7 h ILE 31 CO 0.00 0.15 0.29 -0.65 0.00 0.00 0.00 178.15 177.94 3hb7 h PRO 32 N 0.45 1.14 -0.75 2.37 0.11 -1.83 0.54 132.00 134.03 3hb7 h PRO 32 Ca 0.13 -0.21 -0.05 0.00 0.11 0.00 0.00 66.00 65.97 3hb7 h PRO 32 Cb 0.07 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 30.97 3hb7 h PRO 32 CO -0.02 0.93 0.28 -0.44 -0.21 0.00 0.00 178.00 178.54 3hb7 h ASP 33 N 1.10 1.05 -0.58 -2.05 3.32 -1.82 -1.55 116.42 115.88 3hb7 h ASP 33 Ca 0.25 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 3hb7 h ASP 33 Cb 0.23 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 3hb7 h ASP 33 CO -0.02 0.94 0.01 -0.07 -1.72 0.00 0.00 179.24 178.38 3hb7 h LEU 34 N 1.10 1.00 -0.94 1.55 3.38 -0.83 -2.34 115.31 118.23 3hb7 h LEU 34 Ca 0.25 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3hb7 h LEU 34 Cb 0.24 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3hb7 h LEU 34 CO -0.02 1.06 0.38 1.56 0.09 0.00 0.00 178.44 181.52 3hb7 h GLN 35 N 0.91 1.15 -0.28 1.13 4.20 -0.65 0.59 115.11 122.15 3hb7 h GLN 35 Ca 0.17 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3hb7 h GLN 35 Cb 0.54 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 3hb7 h GLN 35 CO 0.03 0.88 0.10 -0.22 -0.67 0.00 0.00 178.83 178.95 3hb7 h LYS 36 N 1.14 0.43 -0.59 1.46 3.64 -1.19 -0.73 116.57 120.73 3hb7 h LYS 36 Ca 0.28 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.51 3hb7 h LYS 36 Cb 0.11 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3hb7 h LYS 36 CO -0.04 0.47 0.11 0.97 -2.27 0.00 0.00 179.45 178.69 3hb7 h ILE 37 N 0.30 1.24 -0.36 2.00 2.10 -0.99 -2.08 117.51 119.73 3hb7 h ILE 37 Ca 0.09 -0.93 -0.01 0.00 1.08 0.00 0.00 64.86 65.10 3hb7 h ILE 37 Cb 0.20 0.68 -0.02 0.00 -1.09 0.00 0.00 36.82 36.60 3hb7 h ILE 37 CO -0.01 0.35 0.20 -0.26 -1.08 0.00 0.00 178.15 177.35 3hb7 h PHE 38 N 0.88 0.49 -0.72 2.19 0.05 -0.54 -2.11 116.94 117.18 3hb7 h PHE 38 Ca 0.18 -0.01 -0.04 0.00 3.82 0.00 0.00 57.97 61.92 3hb7 h PHE 38 Cb 0.37 -0.16 -0.03 0.00 2.00 0.00 0.00 35.95 38.13 3hb7 h PHE 38 CO 0.02 0.37 0.28 0.93 -0.18 0.00 0.00 178.31 179.73 3hb7 h GLU 39 N 0.46 1.08 -0.30 1.51 4.39 -0.97 -1.70 114.58 119.05 3hb7 h GLU 39 Ca 0.13 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 3hb7 h GLU 39 Cb 0.04 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 3hb7 h GLU 39 CO -0.02 0.90 0.12 2.35 -1.16 0.00 0.00 179.01 181.20 3hb7 h TRP 40 N 1.04 0.46 -0.48 4.33 7.01 -1.23 -1.43 115.95 125.65 3hb7 h TRP 40 Ca 0.24 -0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.16 3hb7 h TRP 40 Cb 0.23 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.13 3hb7 h TRP 40 CO 0.02 0.45 0.11 0.28 -2.79 0.00 0.00 178.44 176.51 3hb7 h VAL 41 N 0.34 1.24 -0.45 2.65 2.07 -1.20 -2.21 116.25 118.68 3hb7 h VAL 41 Ca 0.10 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 3hb7 h VAL 41 Cb 0.18 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3hb7 h VAL 41 CO -0.01 0.30 0.09 0.03 0.02 0.00 0.00 177.57 178.01 3hb7 h ARG 42 N 0.65 0.69 -0.16 1.57 3.08 -1.26 -2.52 114.38 116.42 3hb7 h ARG 42 Ca 0.15 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 3hb7 h ARG 42 Cb 0.33 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3hb7 h ARG 42 CO 0.00 0.64 -0.15 0.78 -1.07 0.00 0.00 179.97 180.17 3hb7 h GLY 43 N 0.89 0.29 -3.14 0.04 0.00 -1.01 -3.46 103.07 96.67 3hb7 h GLY 43 Ca 0.15 -0.18 -0.52 0.00 0.00 0.00 0.00 47.33 46.77 3hb7 h GLY 43 CO -0.00 0.17 0.57 0.50 0.00 0.00 0.00 176.54 177.78 3hb7 s ARG 44 N -4.67 3.81 0.10 4.80 0.52 -0.85 -4.98 118.95 117.67 3hb7 s ARG 44 Ca -0.06 2.05 -0.30 0.00 -0.52 0.00 0.00 55.73 56.90 3hb7 s ARG 44 Cb 0.15 -2.60 -0.06 0.00 0.52 0.00 0.00 34.95 32.96 3hb7 s ARG 44 CO 0.74 -0.59 1.06 -1.83 0.02 0.00 0.00 175.30 174.70 3hb7 s GLU 45 N -2.44 4.58 0.74 3.54 4.04 -1.26 -4.85 118.70 123.05 3hb7 s GLU 45 Ca 0.60 1.60 0.00 0.00 0.04 0.00 0.00 54.97 57.21 3hb7 s GLU 45 Cb -0.35 -3.35 0.00 0.00 0.02 0.00 0.00 34.13 30.44 3hb7 s GLU 45 CO 0.44 0.02 0.00 0.41 -1.84 0.00 0.00 175.26 174.30 3hb7 n GLY 46 N 2.50 -1.96 2.19 -3.83 0.00 -1.26 -4.73 105.19 98.11 3hb7 n GLY 46 Ca 0.04 -1.61 -0.24 0.00 0.00 0.00 0.00 46.02 44.21 3hb7 n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hb7 n ASP 47 N 0.66 0.22 0.03 1.61 5.68 -1.26 -4.82 116.55 118.67 3hb7 n ASP 47 Ca 0.00 -2.70 0.12 0.00 -0.50 0.00 0.00 54.79 51.71 3hb7 n ASP 47 Cb 0.00 -0.64 0.30 0.00 -1.14 0.00 0.00 41.12 39.64 3hb7 n ASP 47 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3hb7 n ASP 48 N 1.39 0.52 -4.06 -1.12 8.00 -1.26 -4.77 116.55 115.25 3hb7 n ASP 48 Ca 0.21 0.11 -0.27 0.00 0.71 0.00 0.00 54.79 55.55 3hb7 n ASP 48 Cb 0.53 -0.02 -0.17 0.00 -0.02 0.00 0.00 41.12 41.44 3hb7 n ASP 48 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hb7 s ILE 49 N -3.07 1.35 0.00 0.53 1.01 -1.26 0.14 121.20 119.90 3hb7 s ILE 49 Ca 0.10 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.20 3hb7 s ILE 49 Cb 0.16 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 3hb7 s ILE 49 CO 0.67 0.41 -0.10 -1.00 0.00 0.00 0.00 174.94 174.92 3hb7 s HIS 50 N 0.74 2.81 -0.18 3.97 3.76 -0.15 -4.98 115.29 121.27 3hb7 s HIS 50 Ca -0.12 -0.09 -0.11 0.00 -0.15 0.00 0.00 55.06 54.59 3hb7 s HIS 50 Cb -0.16 -1.59 -0.05 0.00 1.11 0.00 0.00 32.58 31.90 3hb7 s HIS 50 CO 0.03 0.33 0.19 -0.51 -0.85 0.00 0.00 174.74 173.93 3hb7 s LEU 51 N -1.33 4.24 -0.10 0.89 1.43 -1.26 -0.98 118.68 121.57 3hb7 s LEU 51 Ca 0.16 0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.63 3hb7 s LEU 51 Cb -0.11 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 43.93 3hb7 s LEU 51 CO 0.06 0.17 -0.17 -0.69 0.23 0.00 0.00 176.35 175.96 3hb7 s VAL 52 N 0.26 1.57 -0.21 -1.59 1.01 0.08 -3.66 120.40 117.87 3hb7 s VAL 52 Ca 0.12 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 3hb7 s VAL 52 Cb -0.12 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 3hb7 s VAL 52 CO 0.01 0.45 0.06 -1.00 0.00 0.00 0.00 175.10 174.62 3hb7 s HIS 53 N 0.81 3.15 -0.18 5.22 0.09 -0.12 -1.28 115.29 122.98 3hb7 s HIS 53 Ca -0.10 -0.19 -0.02 0.00 -0.00 0.00 0.00 55.06 54.75 3hb7 s HIS 53 Cb -0.16 -2.15 -0.00 0.00 -0.00 0.00 0.00 32.58 30.27 3hb7 s HIS 53 CO 0.01 -0.12 -0.11 0.42 -0.00 0.00 0.00 174.74 174.95 3hb7 s ILE 54 N 1.01 2.97 -0.08 0.60 1.01 0.40 0.27 121.20 127.38 3hb7 s ILE 54 Ca 0.04 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.08 3hb7 s ILE 54 Cb -0.14 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 40.03 3hb7 s ILE 54 CO 0.03 0.48 -0.21 0.00 0.00 0.00 0.00 174.94 175.24 3hb7 s GLN 55 N 1.07 2.53 0.10 2.79 -2.07 0.33 -1.99 119.66 122.41 3hb7 s GLN 55 Ca -0.00 -0.75 -0.31 0.00 -1.82 0.00 0.00 55.36 52.48 3hb7 s GLN 55 Cb -0.15 -1.99 -0.09 0.00 -1.09 0.00 0.00 33.01 29.69 3hb7 s GLN 55 CO -0.02 0.18 1.75 -2.00 -1.32 0.00 0.00 175.29 173.88 3hb7 s GLU 56 N 0.30 4.16 -0.41 9.60 2.12 -1.26 -1.70 118.70 131.52 3hb7 s GLU 56 Ca -0.14 2.48 0.06 0.00 0.36 0.00 0.00 54.97 57.72 3hb7 s GLU 56 Cb -0.16 -3.60 0.21 0.00 0.26 0.00 0.00 34.13 30.83 3hb7 s GLU 56 CO 0.06 -0.80 0.43 0.00 -0.54 0.00 0.00 175.26 174.41 3hb7 n ALA 57 N 5.67 2.68 -1.66 6.30 0.00 0.27 -4.68 120.51 129.08 3hb7 n ALA 57 Ca 0.17 -3.26 -0.35 0.00 0.00 0.00 0.00 53.44 50.00 3hb7 n ALA 57 Cb 0.39 -0.78 0.03 0.00 0.00 0.00 0.00 19.45 19.09 3hb7 n ALA 57 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3hb7 s HIS 58 N -0.54 2.56 0.40 0.00 3.76 0.04 -4.31 115.29 117.20 3hb7 s HIS 58 Ca 0.34 1.54 -0.25 0.00 -0.15 0.00 0.00 55.06 56.55 3hb7 s HIS 58 Cb 0.10 -3.30 -0.08 0.00 1.11 0.00 0.00 32.58 30.40 3hb7 s HIS 58 CO -0.16 -1.80 1.15 -0.98 -0.85 0.00 0.00 174.74 172.10 3hb7 s ARG 59 N -3.58 4.05 0.09 1.40 1.70 -1.26 -0.32 118.95 121.03 3hb7 s ARG 59 Ca 0.72 1.78 -0.31 0.00 -0.47 0.00 0.00 55.73 57.45 3hb7 s ARG 59 Cb -0.24 -2.64 -0.09 0.00 -0.57 0.00 0.00 34.95 31.41 3hb7 s ARG 59 CO 0.34 -0.30 1.63 -1.59 -1.08 0.00 0.00 175.30 174.29 3hb7 s LYS 60 N -2.35 4.20 -0.23 3.89 -2.85 -1.26 -4.84 119.74 116.30 3hb7 s LYS 60 Ca 0.58 2.33 -0.00 0.00 -1.00 0.00 0.00 55.97 57.88 3hb7 s LYS 60 Cb -0.29 -3.50 0.06 0.00 -2.06 0.00 0.00 37.83 32.04 3hb7 s LYS 60 CO 0.36 -0.70 -0.01 1.21 0.10 0.00 0.00 175.35 176.31 3hb7 s ASN 61 N 2.13 3.65 0.54 0.03 3.04 -1.26 -4.98 114.94 118.08 3hb7 s ASN 61 Ca 0.73 -1.16 0.34 0.00 0.04 0.00 0.00 52.86 52.81 3hb7 s ASN 61 Cb -0.40 -1.01 1.39 0.00 -1.54 0.00 0.00 41.25 39.69 3hb7 s ASN 61 CO 0.32 -0.28 1.99 0.44 -3.04 0.00 0.00 177.10 176.53 3hb7 h ASP 62 N 8.03 0.00 -0.84 -4.21 3.32 -2.01 -3.36 116.42 117.36 3hb7 h ASP 62 Ca -0.17 0.00 -0.73 0.00 0.02 0.00 0.00 57.03 56.16 3hb7 h ASP 62 Cb 1.08 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.53 3hb7 h ASP 62 CO 0.40 0.00 2.66 0.00 -1.72 0.00 0.00 179.24 180.58 3hb7 n ALA 63 N -2.08 6.25 -3.39 3.45 0.00 -1.26 -4.85 120.51 118.63 3hb7 n ALA 63 Ca 0.01 -4.03 -0.13 0.00 0.00 0.00 0.00 53.44 49.29 3hb7 n ALA 63 Cb 0.30 -3.08 -0.13 0.00 0.00 0.00 0.00 19.45 16.54 3hb7 n ALA 63 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hb7 s ASP 64 N 1.31 -0.21 0.19 0.00 2.15 -1.26 -5.06 116.67 113.80 3hb7 s ASP 64 Ca 0.51 0.43 -0.09 0.00 0.43 0.00 0.00 52.55 53.83 3hb7 s ASP 64 Cb 0.15 0.37 0.10 0.00 -0.30 0.00 0.00 42.92 43.24 3hb7 s ASP 64 CO -0.05 -0.11 1.69 -0.26 -0.17 0.00 0.00 175.17 176.26 3hb7 h PHE 65 N 6.49 1.20 -4.21 -5.34 0.04 -1.96 -3.44 116.94 109.72 3hb7 h PHE 65 Ca -0.33 -0.17 -0.49 0.00 2.80 0.00 0.00 57.97 59.78 3hb7 h PHE 65 Cb 1.17 -0.33 0.07 0.00 2.20 0.00 0.00 35.95 39.06 3hb7 h PHE 65 CO 0.39 1.00 0.38 -0.98 -0.60 0.00 0.00 178.31 178.50 3hb7 s ARG 66 N -5.21 3.27 0.19 1.51 1.70 -1.26 -4.96 118.95 114.18 3hb7 s ARG 66 Ca -0.12 1.18 -0.10 0.00 -0.47 0.00 0.00 55.73 56.22 3hb7 s ARG 66 Cb 0.14 -2.03 0.10 0.00 -0.57 0.00 0.00 34.95 32.59 3hb7 s ARG 66 CO 0.85 -0.85 1.71 0.28 -1.08 0.00 0.00 175.30 176.21 3hb7 h VAL 67 N 0.30 1.26 -3.78 4.99 2.07 -2.03 -3.43 116.25 115.62 3hb7 h VAL 67 Ca -0.46 -0.91 -0.18 0.00 0.82 0.00 0.00 66.70 65.96 3hb7 h VAL 67 Cb 1.22 0.58 -0.23 0.00 -1.52 0.00 0.00 31.29 31.34 3hb7 h VAL 67 CO 0.57 0.35 -0.65 0.00 0.02 0.00 0.00 177.57 177.86 3hb7 s ARG 68 N -5.35 0.26 1.02 1.57 1.70 -1.26 -5.15 118.95 111.74 3hb7 s ARG 68 Ca -0.12 -0.36 -0.15 0.00 -0.47 0.00 0.00 55.73 54.63 3hb7 s ARG 68 Cb 0.14 0.10 0.20 0.00 -0.57 0.00 0.00 34.95 34.82 3hb7 s ARG 68 CO 0.83 -0.05 1.16 -1.25 -1.08 0.00 0.00 175.30 174.91 3hb7 s PRO 69 N -0.98 0.27 -0.51 3.89 0.04 -1.26 -4.94 135.00 131.51 3hb7 s PRO 69 Ca -0.11 0.08 0.02 0.00 0.04 0.00 0.00 61.00 61.04 3hb7 s PRO 69 Cb -0.07 -1.76 0.60 0.00 0.04 0.00 0.00 34.50 33.32 3hb7 s PRO 69 CO -0.00 -2.74 1.94 1.28 0.04 0.00 0.00 177.00 177.51 3hb7 n LEU 70 N -4.10 6.96 -3.98 -3.56 4.32 -1.26 -4.86 117.00 110.52 3hb7 n LEU 70 Ca 0.10 -3.82 -0.10 0.00 -0.02 0.00 0.00 56.01 52.17 3hb7 n LEU 70 Cb 0.59 -0.87 -0.06 0.00 -1.62 0.00 0.00 43.42 41.45 3hb7 n LEU 70 CO 0.52 1.19 0.04 -1.38 -1.22 0.00 0.00 177.39 176.53 3hb7 s HIS 71 N -3.46 0.42 0.03 -1.77 -3.43 -1.26 -5.09 115.29 100.73 3hb7 s HIS 71 Ca 0.59 -0.76 -0.30 0.00 -0.80 0.00 0.00 55.06 53.78 3hb7 s HIS 71 Cb 0.49 0.00 -0.04 0.00 -1.43 0.00 0.00 32.58 31.60 3hb7 s HIS 71 CO 0.07 -0.81 1.08 0.00 -2.00 0.00 0.00 174.74 173.08 3hb7 s ALA 72 N -3.99 3.27 -0.13 -1.38 0.00 -1.26 -4.97 121.76 113.29 3hb7 s ALA 72 Ca 0.20 0.68 -0.04 0.00 0.00 0.00 0.00 51.96 52.80 3hb7 s ALA 72 Cb 0.02 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 3hb7 s ALA 72 CO 0.04 -0.32 0.03 0.08 0.00 0.00 0.00 175.76 175.59 3hb7 s VAL 73 N 1.01 4.53 0.32 0.00 1.01 -1.26 -0.78 120.40 125.22 3hb7 s VAL 73 Ca 0.55 -0.15 -0.29 0.00 0.00 0.00 0.00 61.98 62.09 3hb7 s VAL 73 Cb -0.25 -2.97 -0.11 0.00 0.00 0.00 0.00 36.38 33.05 3hb7 s VAL 73 CO 0.29 0.55 1.58 -0.75 0.00 0.00 0.00 175.10 176.76 3hb7 s LYS 74 N -0.34 4.10 0.00 2.72 2.20 0.56 -2.25 119.74 126.74 3hb7 s LYS 74 Ca 0.08 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.29 3hb7 s LYS 74 Cb -0.12 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.20 3hb7 s LYS 74 CO 0.02 -0.62 0.00 0.41 -0.36 0.00 0.00 175.35 174.80 3hb7 n GLY 75 N 1.65 1.50 3.97 5.54 0.00 -1.26 -4.76 105.19 111.83 3hb7 n GLY 75 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 3hb7 n GLY 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hb7 s THR 76 N -2.76 2.57 0.20 2.61 -4.23 -0.95 -5.00 115.64 108.07 3hb7 s THR 76 Ca 0.00 -0.63 -0.09 0.00 -1.18 0.00 0.00 61.69 59.79 3hb7 s THR 76 Cb 0.00 -2.94 0.12 0.00 1.34 0.00 0.00 72.50 71.02 3hb7 s THR 76 CO 0.00 0.00 1.74 -0.25 -0.54 0.00 0.00 174.62 175.57 3hb7 h TRP 77 N -0.05 1.13 -0.56 3.99 7.01 -1.95 -3.04 115.95 122.47 3hb7 h TRP 77 Ca -0.41 -0.11 -0.01 0.00 2.11 0.00 0.00 58.89 60.47 3hb7 h TRP 77 Cb 1.29 -0.33 -0.03 0.00 -2.10 0.00 0.00 29.16 28.00 3hb7 h TRP 77 CO 0.30 0.89 0.30 0.78 -2.79 0.00 0.00 178.44 177.93 3hb7 h GLY 78 N 1.04 0.83 2.00 2.65 0.00 -1.91 -1.68 103.07 106.00 3hb7 h GLY 78 Ca 0.23 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 47.12 3hb7 h GLY 78 CO -0.01 0.34 -0.42 0.23 0.00 0.00 0.00 176.54 176.68 3hb7 h SER 79 N 0.78 0.00 -4.04 0.19 0.87 -1.70 -1.20 113.55 108.45 3hb7 h SER 79 Ca 0.20 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.25 3hb7 h SER 79 Cb 0.03 0.00 0.08 0.00 -0.44 0.00 0.00 62.40 62.07 3hb7 h SER 79 CO -0.03 0.42 0.49 -0.62 -0.53 0.00 0.00 176.83 176.56 3hb7 s ASP 80 N -6.73 5.84 0.45 6.23 2.15 -0.63 -4.74 116.67 119.24 3hb7 s ASP 80 Ca -0.02 2.34 -0.25 0.00 0.43 0.00 0.00 52.55 55.06 3hb7 s ASP 80 Cb 0.13 -2.60 -0.08 0.00 -0.30 0.00 0.00 42.92 40.07 3hb7 s ASP 80 CO 0.72 -1.14 1.32 -0.36 -0.17 0.00 0.00 175.17 175.53 3hb7 s PHE 81 N -1.57 2.65 0.47 -5.34 0.08 -1.26 -1.35 117.98 111.66 3hb7 s PHE 81 Ca 0.68 1.39 -0.23 0.00 0.12 0.00 0.00 56.93 58.89 3hb7 s PHE 81 Cb -0.29 -3.70 -0.07 0.00 -0.57 0.00 0.00 43.02 38.39 3hb7 s PHE 81 CO 0.34 -2.34 1.26 0.96 -0.10 0.00 0.00 175.22 175.34 3hb7 s ILE 82 N -1.30 2.68 0.42 0.64 -4.36 -1.26 -4.70 121.20 113.32 3hb7 s ILE 82 Ca 0.62 0.53 0.08 0.00 -0.26 0.00 0.00 60.65 61.62 3hb7 s ILE 82 Cb -0.38 -3.28 0.26 0.00 1.25 0.00 0.00 42.46 40.30 3hb7 s ILE 82 CO 0.48 0.02 2.06 -0.65 0.24 0.00 0.00 174.94 177.09 3hb7 h PRO 83 N 2.03 0.45 -0.49 0.37 0.11 -1.98 -0.22 132.00 132.26 3hb7 h PRO 83 Ca -0.50 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 3hb7 h PRO 83 Cb 1.26 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3hb7 h PRO 83 CO 0.60 0.31 0.22 0.93 -0.21 0.00 0.00 178.00 179.85 3hb7 h GLU 84 N 0.46 0.69 -0.47 1.05 3.07 -2.02 -3.03 114.58 114.33 3hb7 h GLU 84 Ca 0.12 -0.09 -0.34 0.00 -0.50 0.00 0.00 59.36 58.55 3hb7 h GLU 84 Cb -0.03 -0.13 -0.27 0.00 -0.84 0.00 0.00 28.75 27.48 3hb7 h GLU 84 CO -0.02 0.55 -0.71 1.28 -1.40 0.00 0.00 179.01 178.71 3hb7 n LEU 85 N -4.37 4.08 -4.77 1.33 4.77 -0.16 -4.90 117.00 112.97 3hb7 n LEU 85 Ca 0.04 -4.42 -0.37 0.00 -0.03 0.00 0.00 56.01 51.23 3hb7 n LEU 85 Cb 0.13 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 40.81 3hb7 n LEU 85 CO 0.37 1.84 0.83 -0.47 -1.33 0.00 0.00 177.39 178.63 3hb7 s TYR 86 N -3.45 2.94 0.68 -1.77 6.14 -0.83 -4.75 117.35 116.30 3hb7 s TYR 86 Ca 0.46 1.54 -0.15 0.00 0.64 0.00 0.00 57.07 59.56 3hb7 s TYR 86 Cb 0.39 -3.38 0.01 0.00 0.42 0.00 0.00 41.96 39.41 3hb7 s TYR 86 CO -0.00 -1.43 1.12 -2.14 0.64 0.00 0.00 175.55 173.74 3hb7 s PRO 87 N -2.59 2.65 0.35 4.97 0.02 -1.26 -5.04 135.00 134.10 3hb7 s PRO 87 Ca 0.62 1.44 0.09 0.00 0.02 0.00 0.00 61.00 63.16 3hb7 s PRO 87 Cb -0.29 -1.93 -0.05 0.00 0.02 0.00 0.00 34.50 32.25 3hb7 s PRO 87 CO 0.36 -1.38 0.04 -0.65 -0.33 0.00 0.00 177.00 175.04 3hb7 s GLN 88 N -4.11 2.11 0.22 5.54 -0.21 -1.26 -5.02 119.66 116.94 3hb7 s GLN 88 Ca 0.68 -1.76 -0.08 0.00 0.02 0.00 0.00 55.36 54.22 3hb7 s GLN 88 Cb -0.22 -1.94 0.24 0.00 1.00 0.00 0.00 33.01 32.09 3hb7 s GLN 88 CO 0.43 0.10 1.86 0.93 -2.12 0.00 0.00 175.29 176.49 3hb7 h GLU 89 N 1.74 0.95 -0.00 2.91 5.08 -2.04 0.09 114.58 123.30 3hb7 h GLU 89 Ca -0.43 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3hb7 h GLU 89 Cb 1.25 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3hb7 h GLU 89 CO 0.68 0.63 -0.01 -0.40 -1.00 0.00 0.00 179.01 178.90 3hb7 n ASP 90 N -4.60 0.41 -4.70 1.42 5.68 -1.26 -4.87 116.55 108.63 3hb7 n ASP 90 Ca 0.10 -1.03 -0.40 0.00 -0.50 0.00 0.00 54.79 52.96 3hb7 n ASP 90 Cb 0.10 -0.02 -0.05 0.00 -1.14 0.00 0.00 41.12 40.01 3hb7 n ASP 90 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3hb7 s GLU 91 N -2.08 4.37 0.35 0.11 2.02 0.01 -5.01 118.70 118.47 3hb7 s GLU 91 Ca 0.42 0.85 -0.28 0.00 0.02 0.00 0.00 54.97 55.98 3hb7 s GLU 91 Cb 0.21 -3.50 -0.11 0.00 0.10 0.00 0.00 34.13 30.84 3hb7 s GLU 91 CO 0.38 -0.07 1.39 -0.47 0.02 0.00 0.00 175.26 176.51 3hb7 s TYR 92 N 1.27 2.84 -0.07 1.61 5.04 -1.24 -4.82 117.35 121.98 3hb7 s TYR 92 Ca 0.36 1.30 0.05 0.00 -2.44 0.00 0.00 57.07 56.33 3hb7 s TYR 92 Cb -0.17 -3.83 -0.00 0.00 0.35 0.00 0.00 41.96 38.30 3hb7 s TYR 92 CO 0.15 -2.37 -0.22 0.42 -1.34 0.00 0.00 175.55 172.19 3hb7 s ILE 93 N -1.11 1.84 -0.11 3.14 1.01 -1.26 -0.95 121.20 123.76 3hb7 s ILE 93 Ca 0.51 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 60.25 3hb7 s ILE 93 Cb -0.43 -1.58 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 3hb7 s ILE 93 CO 0.57 0.51 -0.18 -0.69 0.00 0.00 0.00 174.94 175.15 3hb7 s VAL 94 N 0.14 2.58 -0.19 2.92 1.01 0.14 -4.93 120.40 122.07 3hb7 s VAL 94 Ca -0.10 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 3hb7 s VAL 94 Cb -0.15 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 3hb7 s VAL 94 CO 0.05 0.54 0.15 -1.10 0.00 0.00 0.00 175.10 174.74 3hb7 s GLN 95 N 0.31 4.12 0.05 2.72 -0.21 -1.26 -0.51 119.66 124.88 3hb7 s GLN 95 Ca -0.14 -0.18 0.05 0.00 0.02 0.00 0.00 55.36 55.12 3hb7 s GLN 95 Cb -0.17 -3.40 -0.02 0.00 1.00 0.00 0.00 33.01 30.42 3hb7 s GLN 95 CO 0.07 0.34 -0.14 -1.59 -2.12 0.00 0.00 175.29 171.85 3hb7 s LYS 96 N 0.23 0.90 0.00 2.91 -2.85 -0.69 -4.86 119.74 115.38 3hb7 s LYS 96 Ca 0.10 -0.84 0.10 0.00 -1.00 0.00 0.00 55.97 54.33 3hb7 s LYS 96 Cb -0.11 -0.92 0.03 0.00 -2.06 0.00 0.00 37.83 34.77 3hb7 s LYS 96 CO -0.01 0.22 0.71 0.54 0.10 0.00 0.00 175.35 176.91 3hb7 n ARG 97 N 1.65 1.41 -4.19 1.78 1.74 -1.26 -0.57 116.66 117.22 3hb7 n ARG 97 Ca -0.19 -0.82 -0.23 0.00 -0.77 0.00 0.00 57.85 55.84 3hb7 n ARG 97 Cb 0.54 -1.13 -0.06 0.00 -1.02 0.00 0.00 32.46 30.79 3hb7 n ARG 97 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3hb7 n ARG 98 N 0.10 0.64 0.01 5.56 5.12 -1.26 -4.91 116.66 121.91 3hb7 n ARG 98 Ca 0.05 -3.13 -0.12 0.00 -1.93 0.00 0.00 57.85 52.72 3hb7 n ARG 98 Cb 0.23 1.62 -0.07 0.00 -1.16 0.00 0.00 32.46 33.08 3hb7 n ARG 98 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3hb7 h HIS 99 N 1.58 0.05 -3.84 -1.55 3.86 -1.95 -3.44 115.15 109.85 3hb7 h HIS 99 Ca -0.29 -0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.43 3hb7 h HIS 99 Cb 1.10 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.55 3hb7 h HIS 99 CO 0.00 0.17 0.39 0.45 0.86 0.00 0.00 177.93 179.79 3hb7 s SER 100 N -5.37 7.30 0.51 2.45 0.15 -1.26 -4.62 113.70 112.85 3hb7 s SER 100 Ca -0.14 2.01 0.19 0.00 0.70 0.00 0.00 55.95 58.70 3hb7 s SER 100 Cb 0.05 -2.60 1.28 0.00 -1.71 0.00 0.00 66.02 63.04 3hb7 s SER 100 CO 0.67 -0.10 2.10 1.23 1.20 0.00 0.00 173.24 178.34 3hb7 h GLY 101 N 3.46 0.00 1.89 9.45 0.00 -1.85 -2.64 103.07 113.38 3hb7 h GLY 101 Ca -0.47 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.71 3hb7 h GLY 101 CO 0.66 0.00 -0.68 0.74 0.00 0.00 0.00 176.54 177.26 3hb7 h PHE 102 N 0.00 0.15 -3.01 5.60 0.04 -1.92 -3.42 116.94 114.37 3hb7 h PHE 102 Ca -0.00 -0.06 -0.57 0.00 2.80 0.00 0.00 57.97 60.14 3hb7 h PHE 102 Cb 0.15 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.23 3hb7 h PHE 102 CO 0.00 0.75 0.94 0.00 -0.60 0.00 0.00 178.31 179.40 3hb7 s ALA 103 N -3.53 3.52 -1.69 2.45 0.00 -1.00 -2.72 121.76 118.78 3hb7 s ALA 103 Ca -0.02 0.29 -0.00 0.00 0.00 0.00 0.00 51.96 52.23 3hb7 s ALA 103 Cb 0.12 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.55 3hb7 s ALA 103 CO 0.79 -1.45 0.01 0.72 0.00 0.00 0.00 175.76 175.82 3hb7 n HIS 104 N 7.10 -0.96 -4.70 0.00 8.25 -1.26 -4.68 115.22 118.96 3hb7 n HIS 104 Ca 0.14 0.01 -0.31 0.00 -0.26 0.00 0.00 57.72 57.30 3hb7 n HIS 104 Cb 0.46 -3.84 -0.08 0.00 1.12 0.00 0.00 29.99 27.65 3hb7 n HIS 104 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3hb7 s THR 105 N -2.99 1.07 -0.67 1.59 -4.23 -1.10 -4.99 115.64 104.32 3hb7 s THR 105 Ca 0.00 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.67 3hb7 s THR 105 Cb -0.00 -2.23 0.77 0.00 1.34 0.00 0.00 72.50 72.37 3hb7 s THR 105 CO 0.01 0.00 1.68 -0.90 -0.54 0.00 0.00 174.62 174.86 3hb7 n ASP 106 N -1.26 5.23 -0.14 3.99 3.85 -1.26 -4.60 116.55 122.35 3hb7 n ASP 106 Ca -0.16 -2.70 -0.09 0.00 -0.71 0.00 0.00 54.79 51.14 3hb7 n ASP 106 Cb 0.67 -0.64 -0.00 0.00 -1.35 0.00 0.00 41.12 39.80 3hb7 n ASP 106 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 3hb7 h LEU 107 N 3.98 0.56 -0.61 -2.12 5.85 -1.86 -1.45 115.31 119.66 3hb7 h LEU 107 Ca 0.00 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3hb7 h LEU 107 Cb 1.72 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.58 3hb7 h LEU 107 CO 0.37 0.55 0.38 -0.78 -0.34 0.00 0.00 178.44 178.62 3hb7 h ASP 108 N 0.53 0.72 -0.85 1.25 3.58 -1.89 -1.15 116.42 118.61 3hb7 h ASP 108 Ca 0.14 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 3hb7 h ASP 108 Cb 0.15 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 40.98 3hb7 h ASP 108 CO -0.02 0.55 0.49 0.25 -2.88 0.00 0.00 179.24 177.63 3hb7 h LEU 109 N 0.82 1.05 -0.44 2.28 5.85 -1.81 0.22 115.31 123.28 3hb7 h LEU 109 Ca 0.22 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3hb7 h LEU 109 Cb -0.05 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 3hb7 h LEU 109 CO -0.04 0.83 0.25 0.22 -0.34 0.00 0.00 178.44 179.36 3hb7 h TYR 110 N 1.18 0.59 -0.62 1.25 3.20 -0.61 -1.43 116.97 120.53 3hb7 h TYR 110 Ca 0.30 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 3hb7 h TYR 110 Cb -0.00 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.05 3hb7 h TYR 110 CO 0.00 0.43 0.26 -0.07 -1.64 0.00 0.00 178.16 177.15 3hb7 h LEU 111 N 0.58 0.84 -0.49 2.82 4.07 -0.60 -1.90 115.31 120.64 3hb7 h LEU 111 Ca 0.16 -0.16 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 3hb7 h LEU 111 Cb 0.02 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.52 3hb7 h LEU 111 CO -0.03 0.77 0.22 0.11 -1.08 0.00 0.00 178.44 178.43 3hb7 h LYS 112 N 0.86 0.71 -0.68 1.13 1.57 -0.74 -2.21 116.57 117.21 3hb7 h LYS 112 Ca 0.21 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3hb7 h LYS 112 Cb 0.18 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3hb7 h LYS 112 CO -0.02 0.61 0.31 0.93 -0.57 0.00 0.00 179.45 180.71 3hb7 h GLU 113 N 0.64 0.97 -0.01 3.15 5.08 -0.91 -2.47 114.58 121.04 3hb7 h GLU 113 Ca 0.17 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3hb7 h GLU 113 Cb 0.15 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3hb7 h GLU 113 CO -0.02 0.76 -0.00 0.39 -1.00 0.00 0.00 179.01 179.14 3hb7 n GLU 114 N -4.33 1.49 -2.86 2.33 -0.58 -0.75 -4.95 120.64 111.01 3hb7 n GLU 114 Ca 0.06 -0.72 -0.19 0.00 -0.42 0.00 0.00 57.16 55.89 3hb7 n GLU 114 Cb 0.14 -1.49 0.03 0.00 -0.57 0.00 0.00 31.44 29.56 3hb7 n GLU 114 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hb7 n GLY 115 N 1.13 -0.36 3.73 0.62 0.00 -0.93 -4.99 105.19 104.39 3hb7 n GLY 115 Ca 0.20 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3hb7 n GLY 115 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hb7 s ILE 116 N -3.08 4.77 -0.12 -0.61 1.01 -0.86 -4.71 121.20 117.61 3hb7 s ILE 116 Ca 0.24 1.77 0.14 0.00 0.00 0.00 0.00 60.65 62.80 3hb7 s ILE 116 Cb -0.10 -4.19 -0.20 0.00 0.01 0.00 0.00 42.46 37.98 3hb7 s ILE 116 CO 0.29 0.29 0.34 -0.90 0.00 0.00 0.00 174.94 174.97 3hb7 n ASP 117 N 3.21 1.66 -4.07 3.58 5.75 -0.79 -4.83 116.55 121.07 3hb7 n ASP 117 Ca 0.00 -0.14 -0.24 0.00 -0.01 0.00 0.00 54.79 54.41 3hb7 n ASP 117 Cb 0.50 1.52 -0.16 0.00 -1.03 0.00 0.00 41.12 41.96 3hb7 n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3hb7 s THR 118 N -2.83 1.16 -0.09 2.12 2.01 -1.13 -1.82 115.64 115.05 3hb7 s THR 118 Ca -0.03 -0.55 -0.01 0.00 0.31 0.00 0.00 61.69 61.41 3hb7 s THR 118 Cb 0.09 -1.02 -0.03 0.00 0.01 0.00 0.00 72.50 71.55 3hb7 s THR 118 CO 0.57 0.35 -0.02 0.68 -0.69 0.00 0.00 174.62 175.50 3hb7 s VAL 119 N 0.24 4.10 -0.12 3.82 -7.23 0.03 -0.99 120.40 120.25 3hb7 s VAL 119 Ca -0.06 -0.32 0.03 0.00 -1.81 0.00 0.00 61.98 59.81 3hb7 s VAL 119 Cb -0.12 -2.72 0.01 0.00 0.56 0.00 0.00 36.38 34.11 3hb7 s VAL 119 CO 0.02 0.59 -0.21 0.54 -0.31 0.00 0.00 175.10 175.73 3hb7 s VAL 120 N -0.73 1.91 -0.19 1.32 0.11 0.48 -1.48 120.40 121.82 3hb7 s VAL 120 Ca 0.11 -0.90 -0.13 0.00 -2.93 0.00 0.00 61.98 58.12 3hb7 s VAL 120 Cb -0.11 -1.69 -0.05 0.00 -1.53 0.00 0.00 36.38 33.00 3hb7 s VAL 120 CO 0.02 0.52 0.29 -0.76 -3.33 0.00 0.00 175.10 171.84 3hb7 s LEU 121 N 0.71 4.19 0.07 2.54 1.02 0.49 -1.50 118.68 126.19 3hb7 s LEU 121 Ca -0.11 0.41 0.03 0.00 0.02 0.00 0.00 54.13 54.48 3hb7 s LEU 121 Cb -0.16 -2.34 -0.03 0.00 0.02 0.00 0.00 46.19 43.68 3hb7 s LEU 121 CO 0.01 0.04 -0.09 0.42 0.02 0.00 0.00 176.35 176.76 3hb7 s THR 122 N 0.84 0.71 -2.19 5.49 -4.23 -0.81 -2.49 115.64 112.97 3hb7 s THR 122 Ca 0.15 -1.39 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 3hb7 s THR 122 Cb -0.13 -1.03 0.00 0.00 1.34 0.00 0.00 72.50 72.68 3hb7 s THR 122 CO 0.05 -0.50 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 3hb7 n GLY 123 N 0.95 0.70 3.03 3.99 0.00 -0.43 -2.40 105.19 111.04 3hb7 n GLY 123 Ca -0.19 -2.08 -0.14 0.00 0.00 0.00 0.00 46.02 43.61 3hb7 n GLY 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hb7 s VAL 124 N -1.37 0.50 0.03 1.61 1.01 -0.94 -1.70 120.40 119.54 3hb7 s VAL 124 Ca 0.00 -0.81 -0.15 0.00 0.00 0.00 0.00 61.98 61.03 3hb7 s VAL 124 Cb 0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 36.38 35.79 3hb7 s VAL 124 CO 0.00 -0.22 0.43 0.26 0.00 0.00 0.00 175.10 175.57 3hb7 s TRP 125 N -0.98 3.71 0.31 5.22 0.52 -1.26 -4.41 118.94 122.06 3hb7 s TRP 125 Ca -0.06 1.00 -0.00 0.00 0.02 0.00 0.00 56.10 57.06 3hb7 s TRP 125 Cb -0.07 -2.30 0.51 0.00 -1.15 0.00 0.00 33.47 30.45 3hb7 s TRP 125 CO 0.00 0.61 1.96 0.00 0.02 0.00 0.00 176.95 179.54 3hb7 h THR 126 N 3.52 1.16 -0.00 2.01 1.03 -1.29 -0.34 112.91 118.99 3hb7 h THR 126 Ca -0.51 -0.36 0.00 0.00 -0.01 0.00 0.00 66.41 65.53 3hb7 h THR 126 Cb 1.21 0.03 0.00 0.00 -1.07 0.00 0.00 68.15 68.32 3hb7 h THR 126 CO 0.62 0.19 -0.16 -0.46 -0.01 0.00 0.00 175.52 175.71 3hb7 n ASN 127 N -4.43 0.65 0.00 0.00 2.04 -1.26 -2.27 115.26 109.98 3hb7 n ASN 127 Ca 0.10 -0.66 0.00 0.00 -0.44 0.00 0.00 54.58 53.58 3hb7 n ASN 127 Cb 0.08 -0.01 0.00 0.00 -2.53 0.00 0.00 39.78 37.32 3hb7 n ASN 127 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34 3hb7 n VAL 128 N -0.86 0.00 0.02 3.53 0.31 -0.19 -4.71 118.33 116.43 3hb7 n VAL 128 Ca 0.13 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.46 3hb7 n VAL 128 Cb 0.30 -0.02 0.30 0.00 -0.91 0.00 0.00 33.84 33.51 3hb7 n VAL 128 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hb7 h VAL 130 N 0.45 1.25 -0.66 0.00 2.07 -1.60 -2.61 116.25 115.14 3hb7 h VAL 130 Ca 0.09 -0.80 -0.06 0.00 0.82 0.00 0.00 66.70 66.75 3hb7 h VAL 130 Cb 0.37 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 3hb7 h VAL 130 CO 0.02 0.23 0.19 0.08 0.02 0.00 0.00 177.57 178.10 3hb7 h ARG 131 N -0.09 1.02 -0.79 1.57 0.11 -1.36 -2.21 114.38 112.63 3hb7 h ARG 131 Ca 0.03 -0.21 -0.04 0.00 0.10 0.00 0.00 59.98 59.85 3hb7 h ARG 131 Cb 0.35 -0.15 -0.03 0.00 1.11 0.00 0.00 29.97 31.25 3hb7 h ARG 131 CO 0.01 0.88 0.32 0.77 0.10 0.00 0.00 179.97 182.05 3hb7 h SER 132 N 0.98 1.09 -0.63 0.08 0.02 -1.32 -0.89 113.55 112.88 3hb7 h SER 132 Ca 0.21 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 3hb7 h SER 132 Cb 0.30 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 3hb7 h SER 132 CO -0.01 0.96 0.13 0.74 -1.14 0.00 0.00 176.83 177.51 3hb7 h THR 133 N 1.15 1.26 -0.38 -2.27 2.02 -1.22 -2.29 112.91 111.18 3hb7 h THR 133 Ca 0.26 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 3hb7 h THR 133 Cb 0.21 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 3hb7 h THR 133 CO -0.02 0.36 0.19 0.00 0.37 0.00 0.00 175.52 176.42 3hb7 h ALA 134 N 1.04 0.49 -0.48 6.16 0.00 -0.99 -0.26 119.26 125.21 3hb7 h ALA 134 Ca 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hb7 h ALA 134 Cb 0.40 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3hb7 h ALA 134 CO 0.01 0.04 0.32 1.79 0.00 0.00 0.00 179.25 181.41 3hb7 h THR 135 N 0.48 1.13 -0.61 0.00 1.35 -1.12 -1.65 112.91 112.48 3hb7 h THR 135 Ca 0.13 -0.24 -0.07 0.00 -0.55 0.00 0.00 66.41 65.68 3hb7 h THR 135 Cb 0.11 0.42 -0.03 0.00 -1.73 0.00 0.00 68.15 66.92 3hb7 h THR 135 CO -0.02 0.12 0.10 0.44 -0.25 0.00 0.00 175.52 175.91 3hb7 h ASP 136 N 0.65 0.94 -0.88 5.36 3.32 -1.04 -1.97 116.42 122.81 3hb7 h ASP 136 Ca 0.18 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 3hb7 h ASP 136 Cb -0.07 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.19 3hb7 h ASP 136 CO -0.04 0.94 0.46 0.00 -1.72 0.00 0.00 179.24 178.88 3hb7 h ALA 137 N 1.17 1.13 -0.52 3.45 0.00 -0.71 -1.84 119.26 121.94 3hb7 h ALA 137 Ca 0.19 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3hb7 h ALA 137 Cb 0.41 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3hb7 h ALA 137 CO 0.01 0.66 0.16 1.25 0.00 0.00 0.00 179.25 181.34 3hb7 h LEU 138 N 1.24 0.75 -2.07 0.00 6.46 -1.22 -1.21 115.31 119.27 3hb7 h LEU 138 Ca 0.31 -0.20 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 3hb7 h LEU 138 Cb 0.07 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 39.80 3hb7 h LEU 138 CO -0.04 0.76 -0.07 0.00 -0.62 0.00 0.00 178.44 178.46 3hb7 h ALA 139 N 1.02 1.56 -0.48 1.25 0.00 -1.04 -1.65 119.26 119.91 3hb7 h ALA 139 Ca 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3hb7 h ALA 139 Cb 0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3hb7 h ALA 139 CO -0.01 0.09 0.01 0.09 0.00 0.00 0.00 179.25 179.44 3hb7 n ASN 140 N -3.98 4.92 -2.39 0.00 3.02 -0.72 -4.92 115.26 111.18 3hb7 n ASN 140 Ca -0.03 -2.78 -0.18 0.00 -0.03 0.00 0.00 54.58 51.56 3hb7 n ASN 140 Cb 0.16 -0.66 0.02 0.00 -0.61 0.00 0.00 39.78 38.69 3hb7 n ASN 140 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hb7 n ALA 141 N 0.50 -0.72 -2.92 5.41 0.00 -0.62 -5.01 120.51 117.13 3hb7 n ALA 141 Ca 0.23 0.21 -0.30 0.00 0.00 0.00 0.00 53.44 53.59 3hb7 n ALA 141 Cb 1.05 -2.93 -0.04 0.00 0.00 0.00 0.00 19.45 17.53 3hb7 n ALA 141 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3hb7 s TYR 142 N -3.02 3.51 0.41 0.00 2.02 -0.49 -5.02 117.35 114.77 3hb7 s TYR 142 Ca 0.18 0.22 -0.23 0.00 -0.37 0.00 0.00 57.07 56.86 3hb7 s TYR 142 Cb -0.08 -1.74 -0.09 0.00 -0.40 0.00 0.00 41.96 39.65 3hb7 s TYR 142 CO 0.22 0.56 1.04 0.15 -1.57 0.00 0.00 175.55 175.95 3hb7 s LYS 143 N -2.72 4.14 -0.06 -0.62 1.02 -0.76 -4.08 119.74 116.65 3hb7 s LYS 143 Ca 0.35 1.47 0.03 0.00 0.02 0.00 0.00 55.97 57.84 3hb7 s LYS 143 Cb -0.12 -2.48 0.01 0.00 -0.52 0.00 0.00 37.83 34.71 3hb7 s LYS 143 CO 0.28 -0.16 -0.13 0.08 -0.92 0.00 0.00 175.35 174.50 3hb7 s VAL 144 N -1.72 1.19 -0.07 3.17 1.01 -1.26 -0.79 120.40 121.93 3hb7 s VAL 144 Ca 0.59 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 62.08 3hb7 s VAL 144 Cb -0.21 -1.07 -0.00 0.00 0.00 0.00 0.00 36.38 35.10 3hb7 s VAL 144 CO 0.26 0.36 -0.22 -0.63 0.00 0.00 0.00 175.10 174.88 3hb7 s ILE 145 N 0.50 1.83 -0.15 2.22 1.01 -0.55 -1.36 121.20 124.70 3hb7 s ILE 145 Ca -0.12 -0.91 -0.03 0.00 0.00 0.00 0.00 60.65 59.59 3hb7 s ILE 145 Cb -0.14 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 3hb7 s ILE 145 CO 0.03 0.51 -0.03 -0.89 0.00 0.00 0.00 174.94 174.56 3hb7 s THR 146 N 0.17 3.95 -0.45 2.92 2.01 -0.02 -0.38 115.64 123.83 3hb7 s THR 146 Ca -0.11 -0.34 -0.18 0.00 0.31 0.00 0.00 61.69 61.37 3hb7 s THR 146 Cb -0.15 -2.72 0.04 0.00 0.01 0.00 0.00 72.50 69.68 3hb7 s THR 146 CO 0.05 0.50 0.50 -0.76 -0.69 0.00 0.00 174.62 174.23 3hb7 s LEU 147 N 0.22 4.96 0.32 4.42 1.02 -1.04 -4.24 118.68 124.34 3hb7 s LEU 147 Ca -0.02 -0.80 0.01 0.00 0.02 0.00 0.00 54.13 53.34 3hb7 s LEU 147 Cb -0.14 -2.41 0.52 0.00 0.02 0.00 0.00 46.19 44.19 3hb7 s LEU 147 CO 0.03 -0.70 1.91 0.77 0.02 0.00 0.00 176.35 178.38 3hb7 h SER 148 N 8.82 0.71 -0.59 2.29 4.64 -1.89 0.46 113.55 128.00 3hb7 h SER 148 Ca -0.27 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3hb7 h SER 148 Cb 1.10 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3hb7 h SER 148 CO 0.86 0.64 0.00 -0.90 -0.87 0.00 0.00 176.83 176.56 3hb7 n ASP 149 N -4.34 3.71 -1.05 4.97 5.75 -1.26 -3.84 116.55 120.48 3hb7 n ASP 149 Ca 0.04 -2.00 0.11 0.00 -0.01 0.00 0.00 54.79 52.94 3hb7 n ASP 149 Cb 0.16 -0.39 0.17 0.00 -1.03 0.00 0.00 41.12 40.03 3hb7 n ASP 149 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hb7 n GLY 150 N 1.60 1.43 3.25 6.12 0.00 0.12 -4.86 105.19 112.85 3hb7 n GLY 150 Ca 0.22 -0.70 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 3hb7 n GLY 150 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hb7 s THR 151 N -1.61 1.27 0.17 2.61 -4.23 -1.02 -1.31 115.64 111.52 3hb7 s THR 151 Ca 0.34 -1.89 -0.18 0.00 -1.18 0.00 0.00 61.69 58.77 3hb7 s THR 151 Cb 0.21 -1.69 0.04 0.00 1.34 0.00 0.00 72.50 72.40 3hb7 s THR 151 CO 0.30 -0.58 0.52 0.00 -0.54 0.00 0.00 174.62 174.31 3hb7 s ALA 152 N -2.72 -1.07 0.40 3.99 0.00 -0.69 -4.93 121.76 116.74 3hb7 s ALA 152 Ca 0.13 -0.05 0.05 0.00 0.00 0.00 0.00 51.96 52.10 3hb7 s ALA 152 Cb -0.01 0.82 -0.02 0.00 0.00 0.00 0.00 23.12 23.91 3hb7 s ALA 152 CO 0.02 -0.77 0.19 0.45 0.00 0.00 0.00 175.76 175.65 3hb7 n SER 153 N -0.32 0.69 -0.19 0.00 2.88 -1.26 -1.03 113.62 114.39 3hb7 n SER 153 Ca -0.13 -3.25 -0.01 0.00 -1.33 0.00 0.00 58.87 54.15 3hb7 n SER 153 Cb 0.63 1.25 0.21 0.00 -0.75 0.00 0.00 64.21 65.56 3hb7 n SER 153 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3hb7 h LYS 154 N 0.00 0.94 -5.07 -1.46 3.64 -1.97 -2.68 116.57 109.97 3hb7 h LYS 154 Ca -0.30 -0.11 -0.34 0.00 -1.27 0.00 0.00 60.65 58.62 3hb7 h LYS 154 Cb 1.25 -0.18 -0.17 0.00 -0.41 0.00 0.00 32.23 32.71 3hb7 h LYS 154 CO 0.47 0.71 -0.73 0.95 -2.27 0.00 0.00 179.45 178.58 3hb7 s THR 155 N -5.59 1.06 0.38 1.00 -4.23 -1.26 -4.27 115.64 102.73 3hb7 s THR 155 Ca -0.11 -1.72 0.09 0.00 -1.18 0.00 0.00 61.69 58.77 3hb7 s THR 155 Cb 0.17 -1.47 0.16 0.00 1.34 0.00 0.00 72.50 72.70 3hb7 s THR 155 CO 0.79 -0.56 1.91 -0.33 -0.54 0.00 0.00 174.62 175.90 3hb7 h GLU 156 N 3.44 0.28 -0.59 3.99 5.08 -2.02 -1.87 114.58 122.88 3hb7 h GLU 156 Ca -0.38 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 3hb7 h GLU 156 Cb 1.19 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3hb7 h GLU 156 CO 0.54 0.40 0.00 0.39 -1.00 0.00 0.00 179.01 179.34 3hb7 n GLU 157 N -4.28 0.16 0.00 2.33 4.71 -1.26 -1.89 120.64 120.40 3hb7 n GLU 157 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3hb7 n GLU 157 Cb 0.26 -1.17 0.00 0.00 -1.01 0.00 0.00 31.44 29.52 3hb7 n GLU 157 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 3hb7 n HIS 159 N 0.55 0.00 -0.15 -0.32 -0.00 -0.71 -1.93 115.22 112.67 3hb7 n HIS 159 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.62 3hb7 n HIS 159 Cb 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.03 3hb7 n HIS 159 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 3hb7 h GLU 160 N 0.00 0.71 0.00 1.57 4.81 -1.66 -0.23 114.58 119.78 3hb7 h GLU 160 Ca 0.00 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 58.96 3hb7 h GLU 160 Cb 0.00 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3hb7 h GLU 160 CO 0.00 0.75 -0.34 0.10 -0.73 0.00 0.00 179.01 178.79 3hb7 h TYR 161 N 0.56 0.00 -0.66 0.92 -0.00 -1.65 -1.88 116.97 114.26 3hb7 h TYR 161 Ca 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.80 3hb7 h TYR 161 Cb 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.10 3hb7 h TYR 161 CO 0.03 0.34 0.19 0.78 -0.00 0.00 0.00 178.16 179.50 3hb7 h GLY 162 N 1.08 1.11 1.46 0.10 0.00 -1.74 -2.59 103.07 102.50 3hb7 h GLY 162 Ca -0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 47.33 46.62 3hb7 h GLY 162 CO 0.04 0.63 0.17 1.41 0.00 0.00 0.00 176.54 178.79 3hb7 h LEU 163 N 0.97 0.63 -0.35 3.11 3.38 -0.74 -1.85 115.31 120.46 3hb7 h LEU 163 Ca 0.21 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3hb7 h LEU 163 Cb 0.32 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3hb7 h LEU 163 CO -0.00 0.60 0.14 -1.13 0.09 0.00 0.00 178.44 178.13 3hb7 h ASN 164 N 0.69 0.48 -0.75 -0.43 -0.00 -0.98 -0.37 115.58 114.22 3hb7 h ASN 164 Ca 0.16 -0.17 -0.03 0.00 -0.00 0.00 0.00 56.30 56.26 3hb7 h ASN 164 Cb 0.18 -0.12 -0.03 0.00 -0.00 0.00 0.00 38.32 38.34 3hb7 h ASN 164 CO -0.01 0.52 0.35 0.44 -0.00 0.00 0.00 177.43 178.72 3hb7 h ASP 165 N 0.42 1.00 -0.15 1.15 3.32 -1.32 -2.87 116.42 117.96 3hb7 h ASP 165 Ca 0.12 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 3hb7 h ASP 165 Cb 0.19 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3hb7 h ASP 165 CO -0.01 0.86 -0.06 -0.07 -1.72 0.00 0.00 179.24 178.25 3hb7 h LEU 166 N 1.06 0.43 -1.80 1.55 3.38 -1.01 -2.56 115.31 116.36 3hb7 h LEU 166 Ca 0.26 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 3hb7 h LEU 166 Cb 0.14 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3hb7 h LEU 166 CO -0.03 0.54 -0.15 0.77 0.09 0.00 0.00 178.44 179.66 3hb7 h SER 167 N 0.43 0.00 -0.72 -0.43 4.64 -0.84 0.17 113.55 116.81 3hb7 h SER 167 Ca 0.09 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.37 3hb7 h SER 167 Cb 0.38 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.43 3hb7 h SER 167 CO 0.02 0.15 0.29 0.40 -0.87 0.00 0.00 176.83 176.81 3hb7 h ILE 168 N 0.00 1.25 0.00 0.95 2.04 -1.44 -3.36 117.51 116.95 3hb7 h ILE 168 Ca -0.00 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.08 3hb7 h ILE 168 Cb 0.38 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3hb7 h ILE 168 CO 0.02 0.31 0.00 2.22 0.00 0.00 0.00 178.15 180.70 3hb7 n PHE 169 N -4.36 0.00 -4.36 1.37 1.16 -0.99 -5.05 117.46 105.23 3hb7 n PHE 169 Ca 0.06 -0.05 -0.18 0.00 -1.87 0.00 0.00 57.45 55.41 3hb7 n PHE 169 Cb 0.18 -0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 37.94 3hb7 n PHE 169 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 3hb7 s THR 170 N -0.10 1.21 -0.24 1.97 -4.23 0.57 -4.81 115.64 110.02 3hb7 s THR 170 Ca 0.00 -2.06 -0.16 0.00 -1.18 0.00 0.00 61.69 58.29 3hb7 s THR 170 Cb 0.00 -2.39 -0.03 0.00 1.34 0.00 0.00 72.50 71.42 3hb7 s THR 170 CO 0.00 -0.31 0.43 -0.75 -0.54 0.00 0.00 174.62 173.45 3hb7 s LYS 171 N -3.82 4.08 0.03 3.99 2.20 -0.47 -4.42 119.74 121.34 3hb7 s LYS 171 Ca 0.29 0.19 0.00 0.00 -0.36 0.00 0.00 55.97 56.09 3hb7 s LYS 171 Cb 0.05 -3.62 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 3hb7 s LYS 171 CO 0.10 -0.23 0.13 0.08 -0.36 0.00 0.00 175.35 175.07 3hb7 s VAL 172 N 1.91 4.99 0.38 4.02 1.01 -1.26 -0.84 120.40 130.62 3hb7 s VAL 172 Ca 0.18 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 61.79 3hb7 s VAL 172 Cb -0.15 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 3hb7 s VAL 172 CO 0.09 0.23 0.40 0.42 0.00 0.00 0.00 175.10 176.24 3hb7 s THR 174 N -1.35 3.19 0.17 3.92 -4.23 -1.26 -4.96 115.64 111.11 3hb7 s THR 174 Ca 0.28 -1.24 -0.13 0.00 -1.18 0.00 0.00 61.69 59.42 3hb7 s THR 174 Cb -0.12 -3.11 0.06 0.00 1.34 0.00 0.00 72.50 70.67 3hb7 s THR 174 CO 0.21 -0.08 1.76 0.58 -0.54 0.00 0.00 174.62 176.54 3hb7 h VAL 175 N 1.01 1.20 -0.70 2.29 2.07 -1.91 -2.30 116.25 117.90 3hb7 h VAL 175 Ca -0.43 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 3hb7 h VAL 175 Cb 1.26 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3hb7 h VAL 175 CO 0.55 0.23 0.33 0.44 0.02 0.00 0.00 177.57 179.14 3hb7 h ASP 176 N 0.75 0.92 -0.77 0.57 3.32 -1.99 -2.02 116.42 117.20 3hb7 h ASP 176 Ca 0.19 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3hb7 h ASP 176 Cb 0.11 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 3hb7 h ASP 176 CO -0.03 0.79 0.35 1.56 -1.72 0.00 0.00 179.24 180.20 3hb7 h GLN 177 N 0.98 1.12 -0.62 3.56 4.20 -1.92 0.52 115.11 122.95 3hb7 h GLN 177 Ca 0.24 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 3hb7 h GLN 177 Cb 0.12 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 3hb7 h GLN 177 CO -0.03 0.89 0.20 -0.92 -0.67 0.00 0.00 178.83 178.30 3hb7 h TYR 178 N 1.09 0.98 -0.44 2.96 3.20 -1.04 0.28 116.97 124.01 3hb7 h TYR 178 Ca 0.26 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 3hb7 h TYR 178 Cb 0.15 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 3hb7 h TYR 178 CO 0.01 0.80 0.16 0.82 -1.64 0.00 0.00 178.16 178.31 3hb7 h ILE 179 N 0.88 1.21 -0.43 1.81 2.04 -0.92 -2.80 117.51 119.30 3hb7 h ILE 179 Ca 0.20 -0.68 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 3hb7 h ILE 179 Cb 0.27 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 3hb7 h ILE 179 CO -0.01 0.25 0.11 -0.61 0.00 0.00 0.00 178.15 177.88 3hb7 h GLN 180 N 0.56 0.64 -0.07 2.37 5.75 -0.52 -2.26 115.11 121.58 3hb7 h GLN 180 Ca 0.14 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 3hb7 h GLN 180 Cb 0.23 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 3hb7 h GLN 180 CO -0.01 0.58 -0.07 0.00 -2.65 0.00 0.00 178.83 176.68 3hb7 h ALA 181 N 1.50 1.75 0.00 3.38 0.00 -0.68 -1.11 119.26 124.10 3hb7 h ALA 181 Ca 0.14 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 3hb7 h ALA 181 Cb 0.23 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3hb7 h ALA 181 CO -0.00 0.19 -0.86 -1.49 0.00 0.00 0.00 179.25 177.08 3hb7 h TRP 182 N 0.10 0.00 -0.44 0.00 4.06 -1.32 -3.33 115.95 115.02 3hb7 h TRP 182 Ca 0.02 0.00 0.04 0.00 2.06 0.00 0.00 58.89 61.01 3hb7 h TRP 182 Cb 0.20 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.32 3hb7 h TRP 182 CO 0.00 0.76 0.22 0.93 -3.56 0.00 0.00 178.44 176.79 3hb7 h GLU 183 N 0.00 0.42 0.00 0.49 5.08 -0.85 -3.52 114.58 116.19 3hb7 h GLU 183 Ca -0.04 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3hb7 h GLU 183 Cb 1.61 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.77 3hb7 h GLU 183 CO 0.09 0.28 0.00 0.27 -1.00 0.00 0.00 179.01 178.65