#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 0.68 -2.73 -0.72 3.72 -1.26 -4.84 117.46 112.31 3hb7 n PHE -2 Ca 0.00 -0.75 -0.42 0.00 -0.05 0.00 0.00 57.45 56.23 3hb7 n PHE -2 Cb 0.00 -0.20 -0.03 0.00 -0.94 0.00 0.00 39.48 38.31 3hb7 n PHE -2 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3hb7 s GLN -1 N -2.16 3.59 0.00 -1.08 1.11 -1.26 -4.79 119.66 115.07 3hb7 s GLN -1 Ca 0.33 -1.41 0.00 0.00 0.01 0.00 0.00 55.36 54.29 3hb7 s GLN -1 Cb 0.25 -5.15 0.00 0.00 -1.01 0.00 0.00 33.01 27.10 3hb7 s GLN -1 CO 0.10 -2.01 0.00 0.41 0.01 0.00 0.00 175.29 173.80 3hb7 n GLY 0 N 6.24 0.74 1.34 3.09 0.00 -1.26 -5.00 105.19 110.34 3hb7 n GLY 0 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 0.82 -1.98 -2.96 4.61 0.00 -1.26 -5.19 120.51 114.54 3hb7 n ALA 2 Ca 0.00 0.37 -0.23 0.00 0.00 0.00 0.00 53.44 53.58 3hb7 n ALA 2 Cb 0.00 -1.24 -0.16 0.00 0.00 0.00 0.00 19.45 18.05 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 -3.75 1.39 0.09 0.00 2.20 -1.26 -4.91 119.74 113.50 3hb7 s LYS 3 Ca 0.00 -0.46 0.08 0.00 -0.36 0.00 0.00 55.97 55.23 3hb7 s LYS 3 Cb 0.00 -1.24 -0.03 0.00 -1.51 0.00 0.00 37.83 35.05 3hb7 s LYS 3 CO 0.00 0.18 -0.22 -1.01 -0.36 0.00 0.00 175.35 173.94 3hb7 s HIS 4 N 0.11 1.92 -0.07 4.03 3.76 0.11 -2.29 115.29 122.86 3hb7 s HIS 4 Ca -0.03 -0.40 0.04 0.00 -0.15 0.00 0.00 55.06 54.52 3hb7 s HIS 4 Cb -0.10 -1.08 -0.00 0.00 1.11 0.00 0.00 32.58 32.51 3hb7 s HIS 4 CO 0.01 0.19 -0.21 0.00 -0.85 0.00 0.00 174.74 173.88 3hb7 s ALA 5 N -1.02 1.90 -0.25 -1.40 0.00 -0.80 -0.52 121.76 119.67 3hb7 s ALA 5 Ca 0.08 -0.85 -0.12 0.00 0.00 0.00 0.00 51.96 51.08 3hb7 s ALA 5 Cb -0.10 -0.67 -0.05 0.00 0.00 0.00 0.00 23.12 22.30 3hb7 s ALA 5 CO 0.04 0.30 0.21 0.42 0.00 0.00 0.00 175.76 176.72 3hb7 s ILE 6 N 0.18 5.31 -0.23 0.00 1.01 0.20 -0.38 121.20 127.29 3hb7 s ILE 6 Ca -0.11 0.26 -0.11 0.00 0.00 0.00 0.00 60.65 60.70 3hb7 s ILE 6 Cb -0.15 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 3hb7 s ILE 6 CO 0.05 0.29 0.16 -0.76 0.00 0.00 0.00 174.94 174.68 3hb7 s LEU 7 N 1.40 4.14 -0.31 2.97 1.43 0.33 -1.26 118.68 127.38 3hb7 s LEU 7 Ca 0.09 0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 53.28 3hb7 s LEU 7 Cb -0.15 -2.11 0.03 0.00 0.03 0.00 0.00 46.19 43.99 3hb7 s LEU 7 CO 0.07 0.09 0.07 -0.69 0.23 0.00 0.00 176.35 176.12 3hb7 s VAL 8 N 0.91 3.66 -0.35 -1.59 1.01 -0.65 -1.32 120.40 122.08 3hb7 s VAL 8 Ca 0.08 -1.01 -0.12 0.00 0.00 0.00 0.00 61.98 60.94 3hb7 s VAL 8 Cb -0.13 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.26 3hb7 s VAL 8 CO 0.03 -0.05 0.21 -0.63 0.00 0.00 0.00 175.10 174.66 3hb7 s ILE 9 N 1.41 4.86 0.28 2.22 -1.09 -0.92 -0.79 121.20 127.17 3hb7 s ILE 9 Ca -0.01 -0.53 0.00 0.00 -2.23 0.00 0.00 60.65 57.88 3hb7 s ILE 9 Cb -0.18 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.11 3hb7 s ILE 9 CO 0.02 -0.09 0.00 0.47 -1.23 0.00 0.00 174.94 174.10 3hb7 n ASP 10 N 5.04 -7.97 0.00 3.58 8.00 -0.76 -1.70 116.55 122.75 3hb7 n ASP 10 Ca -0.13 1.35 0.00 0.00 0.71 0.00 0.00 54.79 56.72 3hb7 n ASP 10 Cb 0.48 -4.65 0.00 0.00 -0.02 0.00 0.00 41.12 36.93 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 1.02 0.00 -0.19 0.64 4.77 -1.26 -4.72 117.00 117.26 3hb7 n LEU 12 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 3hb7 n LEU 12 Cb 0.00 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.36 3hb7 n LEU 12 CO 0.00 0.00 1.23 0.78 -1.33 0.00 0.00 177.39 178.07 3hb7 h ASN 13 N 0.00 0.81 0.14 -1.43 2.35 -1.14 -1.18 115.58 115.13 3hb7 h ASN 13 Ca 0.00 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 3hb7 h ASN 13 Cb 0.00 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 3hb7 h ASN 13 CO 0.00 0.58 -0.15 0.44 -1.65 0.00 0.00 177.43 176.65 3hb7 h ASP 14 N 0.95 0.03 0.00 5.81 5.19 -1.46 -3.31 116.42 123.62 3hb7 h ASP 14 Ca 0.26 -0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.45 3hb7 h ASP 14 Cb -0.10 -0.01 -0.04 0.00 0.18 0.00 0.00 39.33 39.36 3hb7 h ASP 14 CO -0.06 0.18 -2.05 0.49 -3.12 0.00 0.00 179.24 174.69 3hb7 n PHE 15 N -4.35 0.00 -3.98 4.55 3.72 -0.54 -1.27 117.46 115.60 3hb7 n PHE 15 Ca -0.02 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.03 3hb7 n PHE 15 Cb 0.23 -0.70 -0.15 0.00 -0.94 0.00 0.00 39.48 37.92 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 -2.65 2.91 0.00 -4.37 1.01 -0.66 -0.84 120.40 115.80 3hb7 s VAL 16 Ca -0.08 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.19 3hb7 s VAL 16 Cb 0.07 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 34.12 3hb7 s VAL 16 CO 0.70 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.83 3hb7 n GLY 17 N 4.73 4.07 0.36 4.51 0.00 -1.26 -4.70 105.19 112.89 3hb7 n GLY 17 Ca -0.19 -1.60 -0.00 0.00 0.00 0.00 0.00 46.02 44.23 3hb7 n GLY 17 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hb7 h GLU 18 N 0.00 1.07 -0.45 1.61 4.81 -1.98 -2.74 114.58 116.90 3hb7 h GLU 18 Ca 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3hb7 h GLU 18 Cb 0.00 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.14 3hb7 h GLU 18 CO 0.00 0.71 0.00 1.63 -0.73 0.00 0.00 179.01 180.62 3hb7 n LYS 19 N -4.41 3.08 -1.95 1.92 5.02 -1.26 -4.99 118.16 115.57 3hb7 n LYS 19 Ca 0.09 -2.49 -0.41 0.00 -2.02 0.00 0.00 58.31 53.48 3hb7 n LYS 19 Cb 0.03 -1.57 -0.02 0.00 -0.02 0.00 0.00 35.03 33.45 3hb7 n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hb7 s ALA 20 N -1.55 3.61 0.37 7.82 0.00 -1.03 -4.90 121.76 126.08 3hb7 s ALA 20 Ca 0.37 1.40 0.05 0.00 0.00 0.00 0.00 51.96 53.78 3hb7 s ALA 20 Cb 0.23 -3.57 0.72 0.00 0.00 0.00 0.00 23.12 20.50 3hb7 s ALA 20 CO 0.19 -0.82 1.96 -1.00 0.00 0.00 0.00 175.76 176.09 3hb7 h PRO 21 N 4.31 0.55 -1.25 0.00 0.13 -1.83 -2.50 132.00 131.41 3hb7 h PRO 21 Ca -0.48 -0.07 -0.59 0.00 -0.87 0.00 0.00 66.00 63.99 3hb7 h PRO 21 Cb 1.22 -0.10 -0.40 0.00 0.13 0.00 0.00 31.00 31.85 3hb7 h PRO 21 CO 0.73 0.47 -0.53 1.28 -0.23 0.00 0.00 178.00 179.72 3hb7 n LEU 22 N -4.37 5.18 -4.75 1.56 4.77 -0.39 -5.07 117.00 113.92 3hb7 n LEU 22 Ca 0.02 -4.97 -0.41 0.00 -0.03 0.00 0.00 56.01 50.62 3hb7 n LEU 22 Cb 0.15 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.73 3hb7 n LEU 22 CO 0.37 2.11 1.22 -0.60 -1.33 0.00 0.00 177.39 179.17 3hb7 s ARG 23 N -3.62 4.14 -0.32 3.23 3.52 -0.94 -4.27 118.95 120.69 3hb7 s ARG 23 Ca 0.50 2.55 -0.05 0.00 -0.13 0.00 0.00 55.73 58.60 3hb7 s ARG 23 Cb 0.41 -3.03 0.04 0.00 -1.56 0.00 0.00 34.95 30.81 3hb7 s ARG 23 CO -0.12 -0.60 0.07 0.00 -0.81 0.00 0.00 175.30 173.85 3hb7 h PRO 25 N 8.17 0.05 -0.26 0.00 0.11 -1.77 -0.44 132.00 137.86 3hb7 h PRO 25 Ca -0.25 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.84 3hb7 h PRO 25 Cb 1.09 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3hb7 h PRO 25 CO 0.59 0.03 0.07 0.78 -0.21 0.00 0.00 178.00 179.26 3hb7 h GLY 26 N 0.05 0.40 1.10 -0.55 0.00 -1.70 -3.26 103.07 99.11 3hb7 h GLY 26 Ca 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 3hb7 h GLY 26 CO -0.00 0.18 0.51 -1.33 0.00 0.00 0.00 176.54 175.89 3hb7 h GLY 27 N 0.58 1.26 1.58 4.60 0.00 -1.31 -2.06 103.07 107.73 3hb7 h GLY 27 Ca 0.09 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 3hb7 h GLY 27 CO -0.00 0.52 0.08 1.05 0.00 0.00 0.00 176.54 178.19 3hb7 h GLU 28 N 1.20 0.53 -0.05 4.80 4.11 -1.74 -3.02 114.58 120.41 3hb7 h GLU 28 Ca 0.31 -0.09 -0.04 0.00 0.07 0.00 0.00 59.36 59.61 3hb7 h GLU 28 Cb -0.03 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3hb7 h GLU 28 CO -0.06 0.50 -0.15 1.79 0.07 0.00 0.00 179.01 181.16 3hb7 h THR 29 N 0.52 1.14 -0.02 -1.06 1.35 -1.54 -2.99 112.91 110.32 3hb7 h THR 29 Ca 0.12 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 3hb7 h THR 29 Cb 0.21 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 3hb7 h THR 29 CO -0.00 0.19 -0.00 2.30 -0.25 0.00 0.00 175.52 177.75 3hb7 n ILE 30 N -4.32 0.00 -0.26 6.82 -5.35 -1.14 -4.48 119.36 110.63 3hb7 n ILE 30 Ca -0.02 -0.26 -0.05 0.00 -0.27 0.00 0.00 62.75 62.15 3hb7 n ILE 30 Cb 0.24 0.55 0.05 0.00 -1.74 0.00 0.00 39.64 38.74 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 2.46 1.20 -0.54 7.28 2.04 -1.60 -2.28 117.51 126.06 3hb7 h ILE 31 Ca 0.00 -0.43 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 3hb7 h ILE 31 Cb 0.53 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3hb7 h ILE 31 CO 0.00 0.21 0.15 -0.65 0.00 0.00 0.00 178.15 177.86 3hb7 h PRO 32 N 0.97 0.85 -0.63 2.37 0.11 -1.83 -1.44 132.00 132.39 3hb7 h PRO 32 Ca 0.26 -0.19 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 3hb7 h PRO 32 Cb -0.04 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 30.92 3hb7 h PRO 32 CO -0.05 0.79 0.35 -0.44 -0.21 0.00 0.00 178.00 178.44 3hb7 h ASP 33 N 0.76 0.79 -0.60 -2.05 3.32 -1.78 -1.13 116.42 115.73 3hb7 h ASP 33 Ca 0.17 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 3hb7 h ASP 33 Cb 0.30 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 3hb7 h ASP 33 CO -0.00 0.66 0.15 -0.07 -1.72 0.00 0.00 179.24 178.26 3hb7 h LEU 34 N 0.86 0.93 -0.94 1.55 3.38 -1.32 -1.34 115.31 118.43 3hb7 h LEU 34 Ca 0.22 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3hb7 h LEU 34 Cb 0.04 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3hb7 h LEU 34 CO -0.04 0.90 0.49 1.56 0.09 0.00 0.00 178.44 181.44 3hb7 h GLN 35 N 0.94 1.23 -0.49 1.13 4.20 -0.81 0.30 115.11 121.61 3hb7 h GLN 35 Ca 0.20 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 3hb7 h GLN 35 Cb 0.34 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3hb7 h GLN 35 CO 0.00 0.90 0.24 -0.22 -0.67 0.00 0.00 178.83 179.08 3hb7 h LYS 36 N 1.24 0.71 -0.70 1.46 3.64 -0.68 -0.88 116.57 121.37 3hb7 h LYS 36 Ca 0.31 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 3hb7 h LYS 36 Cb 0.02 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 3hb7 h LYS 36 CO -0.05 0.59 0.18 0.97 -2.27 0.00 0.00 179.45 178.87 3hb7 h ILE 37 N 0.65 1.26 -0.53 2.00 2.10 -0.55 -1.62 117.51 120.82 3hb7 h ILE 37 Ca 0.17 -0.93 -0.03 0.00 1.08 0.00 0.00 64.86 65.15 3hb7 h ILE 37 Cb 0.12 0.52 -0.02 0.00 -1.09 0.00 0.00 36.82 36.35 3hb7 h ILE 37 CO -0.02 0.36 0.22 -0.26 -1.08 0.00 0.00 178.15 177.37 3hb7 h PHE 38 N 1.05 0.80 -0.64 2.19 0.05 -0.10 -1.63 116.94 118.65 3hb7 h PHE 38 Ca 0.22 -0.05 -0.03 0.00 3.82 0.00 0.00 57.97 61.93 3hb7 h PHE 38 Cb 0.34 -0.24 -0.03 0.00 2.00 0.00 0.00 35.95 38.02 3hb7 h PHE 38 CO 0.03 0.65 0.28 1.49 -0.18 0.00 0.00 178.31 180.57 3hb7 h GLU 39 N 0.71 0.94 -0.16 1.51 4.81 -1.02 -1.67 114.58 119.71 3hb7 h GLU 39 Ca 0.18 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3hb7 h GLU 39 Cb 0.18 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3hb7 h GLU 39 CO -0.02 0.77 0.03 2.35 -0.73 0.00 0.00 179.01 181.42 3hb7 h TRP 40 N 0.89 0.28 -0.32 0.92 7.01 -1.04 -1.67 115.95 122.01 3hb7 h TRP 40 Ca 0.22 -0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.16 3hb7 h TRP 40 Cb 0.17 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.14 3hb7 h TRP 40 CO 0.01 0.41 0.14 0.28 -2.79 0.00 0.00 178.44 176.49 3hb7 h VAL 41 N 0.06 1.17 -0.46 2.65 2.07 -1.23 -1.59 116.25 118.93 3hb7 h VAL 41 Ca 0.05 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 3hb7 h VAL 41 Cb 0.28 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3hb7 h VAL 41 CO 0.00 0.18 0.18 0.03 0.02 0.00 0.00 177.57 177.98 3hb7 h ARG 42 N 0.38 0.65 -0.26 1.57 3.08 -1.29 -2.26 114.38 116.26 3hb7 h ARG 42 Ca 0.11 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 3hb7 h ARG 42 Cb 0.16 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3hb7 h ARG 42 CO -0.01 0.54 -0.15 0.78 -1.07 0.00 0.00 179.97 180.06 3hb7 h GLY 43 N 0.80 0.49 -3.85 0.04 0.00 -0.94 -3.47 103.07 96.14 3hb7 h GLY 43 Ca 0.16 -0.35 -0.53 0.00 0.00 0.00 0.00 47.33 46.61 3hb7 h GLY 43 CO -0.01 0.32 0.72 0.50 0.00 0.00 0.00 176.54 178.06 3hb7 s ARG 44 N -4.68 4.15 0.39 4.80 0.52 -0.63 -4.98 118.95 118.53 3hb7 s ARG 44 Ca -0.07 2.42 -0.25 0.00 -0.52 0.00 0.00 55.73 57.32 3hb7 s ARG 44 Cb 0.15 -2.97 -0.09 0.00 0.52 0.00 0.00 34.95 32.56 3hb7 s ARG 44 CO 0.77 -0.44 1.07 -2.00 0.02 0.00 0.00 175.30 174.72 3hb7 s GLU 45 N -2.03 4.18 0.18 3.54 2.12 -1.26 -4.88 118.70 120.54 3hb7 s GLU 45 Ca 0.52 1.58 0.00 0.00 0.36 0.00 0.00 54.97 57.43 3hb7 s GLU 45 Cb -0.44 -2.60 0.00 0.00 0.26 0.00 0.00 34.13 31.35 3hb7 s GLU 45 CO 0.58 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.57 3hb7 n GLY 46 N 0.45 -2.78 0.72 -1.50 0.00 -1.26 -4.77 105.19 96.05 3hb7 n GLY 46 Ca 0.04 -1.75 0.06 0.00 0.00 0.00 0.00 46.02 44.37 3hb7 n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hb7 n ASP 47 N -0.24 1.50 0.24 1.61 4.64 -1.26 -4.81 116.55 118.23 3hb7 n ASP 47 Ca 0.00 -3.14 0.09 0.00 -1.38 0.00 0.00 54.79 50.37 3hb7 n ASP 47 Cb 0.00 -0.43 0.59 0.00 -1.04 0.00 0.00 41.12 40.24 3hb7 n ASP 47 CO 0.00 0.00 0.00 0.44 -0.82 0.00 0.00 177.20 176.82 3hb7 h ASP 48 N 0.75 0.00 -3.56 1.67 3.45 -1.91 -3.43 116.42 113.39 3hb7 h ASP 48 Ca -0.06 0.00 -0.49 0.00 0.43 0.00 0.00 57.03 56.92 3hb7 h ASP 48 Cb 1.26 0.00 -0.33 0.00 -0.56 0.00 0.00 39.33 39.70 3hb7 h ASP 48 CO 0.02 0.19 -0.80 -0.63 -1.57 0.00 0.00 179.24 176.45 3hb7 s ILE 49 N -4.15 1.00 0.07 0.35 1.01 -1.26 0.07 121.20 118.30 3hb7 s ILE 49 Ca -0.02 -0.43 0.06 0.00 0.00 0.00 0.00 60.65 60.26 3hb7 s ILE 49 Cb 0.13 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 3hb7 s ILE 49 CO 0.63 0.32 -0.12 -1.00 0.00 0.00 0.00 174.94 174.77 3hb7 s HIS 50 N 0.53 2.71 -0.23 3.97 3.76 0.33 -4.97 115.29 121.39 3hb7 s HIS 50 Ca -0.11 -0.16 -0.10 0.00 -0.15 0.00 0.00 55.06 54.54 3hb7 s HIS 50 Cb -0.14 -1.47 -0.05 0.00 1.11 0.00 0.00 32.58 32.04 3hb7 s HIS 50 CO 0.02 0.37 0.13 -0.51 -0.85 0.00 0.00 174.74 173.91 3hb7 s LEU 51 N -1.86 3.96 -0.14 0.89 1.43 -1.26 -0.63 118.68 121.06 3hb7 s LEU 51 Ca 0.19 0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.36 3hb7 s LEU 51 Cb -0.11 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 44.07 3hb7 s LEU 51 CO 0.10 0.06 -0.19 -0.69 0.23 0.00 0.00 176.35 175.86 3hb7 s VAL 52 N 1.06 1.89 -0.23 -1.59 1.01 -0.39 -3.64 120.40 118.51 3hb7 s VAL 52 Ca 0.06 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 3hb7 s VAL 52 Cb -0.14 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 3hb7 s VAL 52 CO 0.04 0.52 0.13 -1.00 0.00 0.00 0.00 175.10 174.79 3hb7 s HIS 53 N 0.97 3.28 -0.17 5.22 0.09 0.15 -1.63 115.29 123.20 3hb7 s HIS 53 Ca -0.04 0.13 0.00 0.00 -0.00 0.00 0.00 55.06 55.15 3hb7 s HIS 53 Cb -0.15 -2.23 0.01 0.00 -0.00 0.00 0.00 32.58 30.21 3hb7 s HIS 53 CO -0.04 0.04 -0.16 0.42 -0.00 0.00 0.00 174.74 174.99 3hb7 s ILE 54 N 0.99 2.46 -0.07 0.60 1.01 0.03 -0.16 121.20 126.06 3hb7 s ILE 54 Ca 0.07 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 59.94 3hb7 s ILE 54 Cb -0.13 -2.05 -0.00 0.00 0.01 0.00 0.00 42.46 40.29 3hb7 s ILE 54 CO 0.04 0.51 -0.21 0.00 0.00 0.00 0.00 174.94 175.28 3hb7 s GLN 55 N 1.12 2.47 0.15 2.79 -2.07 -0.32 -1.82 119.66 121.97 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 -0.14 -1.98 -0.10 0.00 -1.09 0.00 0.00 33.01 29.70 3hb7 s GLN 55 CO -0.06 0.21 1.62 -2.00 -1.32 0.00 0.00 175.29 173.74 3hb7 s GLU 56 N 0.23 4.19 -0.40 9.60 2.12 -1.26 -1.20 118.70 131.98 3hb7 s GLU 56 Ca -0.12 2.40 0.06 0.00 0.36 0.00 0.00 54.97 57.68 3hb7 s GLU 56 Cb -0.15 -3.26 0.22 0.00 0.26 0.00 0.00 34.13 31.20 3hb7 s GLU 56 CO 0.06 -0.67 0.47 0.00 -0.54 0.00 0.00 175.26 174.58 3hb7 n ALA 57 N 4.39 2.34 -1.59 6.30 0.00 0.16 -4.77 120.51 127.34 3hb7 n ALA 57 Ca 0.15 -3.16 -0.34 0.00 0.00 0.00 0.00 53.44 50.09 3hb7 n ALA 57 Cb 0.38 -0.82 0.03 0.00 0.00 0.00 0.00 19.45 19.04 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 -0.61 2.62 0.44 0.00 3.76 -0.40 -4.20 115.29 116.90 3hb7 s HIS 58 Ca 0.34 1.55 -0.09 0.00 -0.15 0.00 0.00 55.06 56.71 3hb7 s HIS 58 Cb 0.12 -3.21 -0.05 0.00 1.11 0.00 0.00 32.58 30.54 3hb7 s HIS 58 CO -0.15 -1.68 0.79 -0.98 -0.85 0.00 0.00 174.74 171.87 3hb7 s ARG 59 N -3.84 3.68 -0.55 1.40 1.70 -1.26 -0.91 118.95 119.18 3hb7 s ARG 59 Ca 0.69 0.38 -0.27 0.00 -0.47 0.00 0.00 55.73 56.07 3hb7 s ARG 59 Cb -0.22 -2.37 -0.03 0.00 -0.57 0.00 0.00 34.95 31.76 3hb7 s ARG 59 CO 0.37 -0.12 1.97 -1.59 -1.08 0.00 0.00 175.30 174.85 3hb7 s LYS 60 N -4.23 2.60 -0.71 3.89 -2.85 -1.26 -4.91 119.74 112.27 3hb7 s LYS 60 Ca 0.50 0.88 0.00 0.00 -1.00 0.00 0.00 55.97 56.35 3hb7 s LYS 60 Cb -0.10 -4.41 0.00 0.00 -2.06 0.00 0.00 37.83 31.26 3hb7 s LYS 60 CO 0.37 -2.74 0.00 -0.35 0.10 0.00 0.00 175.35 172.73 3hb7 n PRO 69 N 9.06 -1.76 -2.70 1.78 -0.04 -1.26 -5.18 135.00 134.90 3hb7 n PRO 69 Ca 0.24 0.65 -0.42 0.00 -0.04 0.00 0.00 63.50 63.93 3hb7 n PRO 69 Cb 0.52 -4.88 -0.03 0.00 -0.04 0.00 0.00 33.50 29.07 3hb7 n PRO 69 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hb7 s LEU 70 N -1.66 4.31 0.23 1.53 1.02 -1.26 -4.98 118.68 117.87 3hb7 s LEU 70 Ca 0.00 1.59 -0.11 0.00 0.02 0.00 0.00 54.13 55.63 3hb7 s LEU 70 Cb 0.00 -3.56 -0.01 0.00 0.02 0.00 0.00 46.19 42.65 3hb7 s LEU 70 CO 0.00 -0.35 0.42 -1.38 0.02 0.00 0.00 176.35 175.07 3hb7 s HIS 71 N 1.48 0.42 -0.45 0.29 -3.43 -1.26 -5.10 115.29 107.24 3hb7 s HIS 71 Ca 0.50 -0.77 -0.22 0.00 -0.80 0.00 0.00 55.06 53.78 3hb7 s HIS 71 Cb -0.20 0.10 0.03 0.00 -1.43 0.00 0.00 32.58 31.08 3hb7 s HIS 71 CO 0.23 -0.92 0.72 0.00 -2.00 0.00 0.00 174.74 172.77 3hb7 s ALA 72 N -4.02 3.31 0.30 -1.38 0.00 -1.26 -4.99 121.76 113.72 3hb7 s ALA 72 Ca 0.23 -1.12 -0.27 0.00 0.00 0.00 0.00 51.96 50.79 3hb7 s ALA 72 Cb 0.01 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.63 3hb7 s ALA 72 CO 0.08 -1.87 0.96 0.08 0.00 0.00 0.00 175.76 175.00 3hb7 s VAL 73 N 3.07 4.08 0.31 0.00 1.01 -1.26 -1.28 120.40 126.33 3hb7 s VAL 73 Ca 0.26 1.86 -0.29 0.00 0.00 0.00 0.00 61.98 63.81 3hb7 s VAL 73 Cb -0.13 -4.09 -0.11 0.00 0.00 0.00 0.00 36.38 32.05 3hb7 s VAL 73 CO 0.21 0.27 1.54 -0.75 0.00 0.00 0.00 175.10 176.36 3hb7 s LYS 74 N -1.76 4.14 0.00 2.72 2.20 -0.09 -2.73 119.74 124.23 3hb7 s LYS 74 Ca 0.47 2.53 0.00 0.00 -0.36 0.00 0.00 55.97 58.61 3hb7 s LYS 74 Cb -0.22 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 3hb7 s LYS 74 CO 0.28 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 175.11 3hb7 n GLY 75 N 1.73 1.76 3.90 5.54 0.00 -1.26 -4.96 105.19 111.90 3hb7 n GLY 75 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.11 3.83 0.26 2.61 -4.23 -1.11 -4.97 115.64 108.93 3hb7 s THR 76 Ca 0.00 0.23 -0.04 0.00 -1.18 0.00 0.00 61.69 60.70 3hb7 s THR 76 Cb 0.00 -3.54 0.20 0.00 1.34 0.00 0.00 72.50 70.50 3hb7 s THR 76 CO 0.00 -0.61 1.86 -0.25 -0.54 0.00 0.00 174.62 175.08 3hb7 h TRP 77 N -0.28 1.08 -0.34 3.99 2.91 -1.96 -2.89 115.95 118.46 3hb7 h TRP 77 Ca -0.45 -0.04 -0.03 0.00 1.13 0.00 0.00 58.89 59.49 3hb7 h TRP 77 Cb 1.24 -0.34 -0.02 0.00 -0.51 0.00 0.00 29.16 29.54 3hb7 h TRP 77 CO 0.51 0.78 0.09 0.78 -1.03 0.00 0.00 178.44 179.57 3hb7 h GLY 78 N 1.12 0.53 2.00 2.65 0.00 -1.93 -2.60 103.07 104.84 3hb7 h GLY 78 Ca 0.26 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3hb7 h GLY 78 CO -0.03 0.25 -0.29 0.23 0.00 0.00 0.00 176.54 176.70 3hb7 h SER 79 N 0.49 0.00 -4.09 0.19 0.87 -1.72 -0.98 113.55 108.31 3hb7 h SER 79 Ca 0.12 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.17 3hb7 h SER 79 Cb 0.18 0.00 0.08 0.00 -0.44 0.00 0.00 62.40 62.22 3hb7 h SER 79 CO -0.01 0.29 0.44 -0.62 -0.53 0.00 0.00 176.83 176.40 3hb7 s ASP 80 N -6.43 5.55 0.40 6.23 2.15 -0.98 -4.75 116.67 118.84 3hb7 s ASP 80 Ca -0.01 2.22 -0.26 0.00 0.43 0.00 0.00 52.55 54.93 3hb7 s ASP 80 Cb 0.12 -2.58 -0.09 0.00 -0.30 0.00 0.00 42.92 40.07 3hb7 s ASP 80 CO 0.66 -1.34 1.28 -0.36 -0.17 0.00 0.00 175.17 175.24 3hb7 s PHE 81 N -1.75 2.89 0.57 -5.34 0.08 -1.26 -1.56 117.98 111.61 3hb7 s PHE 81 Ca 0.74 1.44 -0.20 0.00 0.12 0.00 0.00 56.93 59.03 3hb7 s PHE 81 Cb -0.25 -3.62 -0.04 0.00 -0.57 0.00 0.00 43.02 38.54 3hb7 s PHE 81 CO 0.29 -1.92 1.27 0.96 -0.10 0.00 0.00 175.22 175.73 3hb7 s ILE 82 N -1.28 2.38 0.40 0.64 -4.36 -1.26 -4.74 121.20 112.99 3hb7 s ILE 82 Ca 0.56 0.26 0.08 0.00 -0.26 0.00 0.00 60.65 61.29 3hb7 s ILE 82 Cb -0.37 -3.12 0.23 0.00 1.25 0.00 0.00 42.46 40.45 3hb7 s ILE 82 CO 0.47 -0.03 2.00 -0.65 0.24 0.00 0.00 174.94 176.98 3hb7 h PRO 83 N 1.16 0.44 -0.31 0.37 0.11 -1.98 -1.24 132.00 130.55 3hb7 h PRO 83 Ca -0.51 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.54 3hb7 h PRO 83 Cb 1.30 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3hb7 h PRO 83 CO 0.56 0.37 0.15 0.93 -0.21 0.00 0.00 178.00 179.80 3hb7 h GLU 84 N 0.44 0.43 -0.33 1.05 3.07 -2.01 -2.97 114.58 114.26 3hb7 h GLU 84 Ca 0.11 -0.04 -0.24 0.00 -0.50 0.00 0.00 59.36 58.68 3hb7 h GLU 84 Cb 0.10 -0.09 -0.20 0.00 -0.84 0.00 0.00 28.75 27.73 3hb7 h GLU 84 CO -0.01 0.34 -0.65 1.28 -1.40 0.00 0.00 179.01 178.56 3hb7 n LEU 85 N -4.43 3.65 -4.77 1.33 4.77 -0.53 -4.90 117.00 112.11 3hb7 n LEU 85 Ca 0.02 -4.24 -0.39 0.00 -0.03 0.00 0.00 56.01 51.37 3hb7 n LEU 85 Cb 0.11 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.75 3hb7 n LEU 85 CO 0.36 1.70 0.85 -0.47 -1.33 0.00 0.00 177.39 178.50 3hb7 s TYR 86 N -3.36 3.12 0.37 -1.77 6.14 -0.84 -4.76 117.35 116.24 3hb7 s TYR 86 Ca 0.44 1.56 -0.27 0.00 0.64 0.00 0.00 57.07 59.43 3hb7 s TYR 86 Cb 0.39 -3.40 -0.09 0.00 0.42 0.00 0.00 41.96 39.27 3hb7 s TYR 86 CO -0.02 -1.28 1.28 -2.14 0.64 0.00 0.00 175.55 174.03 3hb7 s PRO 87 N -2.18 4.17 0.62 4.97 0.02 -1.26 -5.04 135.00 136.29 3hb7 s PRO 87 Ca 0.55 2.14 -0.01 0.00 0.02 0.00 0.00 61.00 63.70 3hb7 s PRO 87 Cb -0.31 -2.90 0.06 0.00 0.02 0.00 0.00 34.50 31.36 3hb7 s PRO 87 CO 0.40 -0.32 0.87 -0.65 -0.33 0.00 0.00 177.00 176.97 3hb7 s GLN 88 N -2.03 2.31 0.32 5.54 -0.21 -1.26 -4.99 119.66 119.34 3hb7 s GLN 88 Ca 0.53 -0.71 -0.00 0.00 0.02 0.00 0.00 55.36 55.20 3hb7 s GLN 88 Cb -0.38 -2.39 0.53 0.00 1.00 0.00 0.00 33.01 31.78 3hb7 s GLN 88 CO 0.49 -0.96 1.98 0.93 -2.12 0.00 0.00 175.29 175.61 3hb7 h GLU 89 N -0.19 0.98 -0.34 2.91 5.08 -2.04 -1.80 114.58 119.18 3hb7 h GLU 89 Ca -0.42 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3hb7 h GLU 89 Cb 1.30 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3hb7 h GLU 89 CO 0.52 0.65 0.00 -0.25 -1.00 0.00 0.00 179.01 178.93 3hb7 n ASP 90 N -4.43 2.35 -4.70 1.42 8.00 -1.26 -4.91 116.55 113.02 3hb7 n ASP 90 Ca 0.08 -1.89 -0.37 0.00 0.71 0.00 0.00 54.79 53.32 3hb7 n ASP 90 Cb 0.05 -0.23 -0.08 0.00 -0.02 0.00 0.00 41.12 40.84 3hb7 n ASP 90 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hb7 s GLU 91 N -1.55 4.19 0.38 -1.24 2.02 -0.68 -5.03 118.70 116.80 3hb7 s GLU 91 Ca 0.33 0.01 -0.27 0.00 0.02 0.00 0.00 54.97 55.06 3hb7 s GLU 91 Cb 0.18 -3.48 -0.09 0.00 0.10 0.00 0.00 34.13 30.84 3hb7 s GLU 91 CO 0.25 0.14 1.35 -0.47 0.02 0.00 0.00 175.26 176.55 3hb7 s TYR 92 N 0.79 2.80 -0.06 1.61 5.04 -1.24 -4.83 117.35 121.46 3hb7 s TYR 92 Ca 0.14 1.35 0.05 0.00 -2.44 0.00 0.00 57.07 56.17 3hb7 s TYR 92 Cb -0.13 -3.76 -0.00 0.00 0.35 0.00 0.00 41.96 38.41 3hb7 s TYR 92 CO 0.04 -2.27 -0.21 0.42 -1.34 0.00 0.00 175.55 172.19 3hb7 s ILE 93 N -1.20 1.76 -0.08 3.14 1.01 -1.26 -0.67 121.20 123.91 3hb7 s ILE 93 Ca 0.54 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 60.34 3hb7 s ILE 93 Cb -0.41 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.56 3hb7 s ILE 93 CO 0.53 0.50 -0.18 -0.69 0.00 0.00 0.00 174.94 175.09 3hb7 s VAL 94 N 0.11 1.61 -0.13 2.92 1.01 0.77 -4.94 120.40 121.76 3hb7 s VAL 94 Ca -0.09 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 3hb7 s VAL 94 Cb -0.14 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 3hb7 s VAL 94 CO 0.05 0.46 0.03 -1.10 0.00 0.00 0.00 175.10 174.53 3hb7 s GLN 95 N 0.42 3.47 0.13 2.72 -0.21 -1.26 -1.18 119.66 123.76 3hb7 s GLN 95 Ca -0.15 -0.38 0.06 0.00 0.02 0.00 0.00 55.36 54.91 3hb7 s GLN 95 Cb -0.16 -2.99 -0.04 0.00 1.00 0.00 0.00 33.01 30.82 3hb7 s GLN 95 CO 0.06 0.49 -0.15 -1.59 -2.12 0.00 0.00 175.29 171.98 3hb7 s LYS 96 N -0.26 1.07 0.00 2.91 -2.85 -0.34 -4.88 119.74 115.39 3hb7 s LYS 96 Ca 0.07 -1.28 0.04 0.00 -1.00 0.00 0.00 55.97 53.80 3hb7 s LYS 96 Cb -0.12 -0.97 0.02 0.00 -2.06 0.00 0.00 37.83 34.70 3hb7 s LYS 96 CO 0.02 0.19 0.57 0.54 0.10 0.00 0.00 175.35 176.76 3hb7 n ARG 97 N 0.46 0.40 -4.41 1.78 1.74 -1.26 0.39 116.66 115.76 3hb7 n ARG 97 Ca -0.15 -0.64 -0.23 0.00 -0.77 0.00 0.00 57.85 56.06 3hb7 n ARG 97 Cb 0.57 -1.02 -0.08 0.00 -1.02 0.00 0.00 32.46 30.91 3hb7 n ARG 97 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3hb7 s ARG 98 N -0.48 1.89 0.11 5.56 1.81 -1.26 -4.90 118.95 121.67 3hb7 s ARG 98 Ca 0.04 -2.13 -0.20 0.00 -1.72 0.00 0.00 55.73 51.72 3hb7 s ARG 98 Cb 0.03 -0.14 -0.08 0.00 -0.45 0.00 0.00 34.95 34.31 3hb7 s ARG 98 CO 0.06 -0.59 1.71 0.45 -0.68 0.00 0.00 175.30 176.25 3hb7 h HIS 99 N 1.91 0.25 -3.87 -0.53 3.86 -1.96 -3.44 115.15 111.38 3hb7 h HIS 99 Ca -0.30 -0.00 -0.48 0.00 -1.16 0.00 0.00 60.37 58.43 3hb7 h HIS 99 Cb 1.26 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.63 3hb7 h HIS 99 CO 1.71 0.22 0.37 0.45 0.86 0.00 0.00 177.93 181.55 3hb7 s SER 100 N -5.45 7.29 0.49 2.45 0.15 -1.26 -4.62 113.70 112.74 3hb7 s SER 100 Ca -0.13 1.92 0.16 0.00 0.70 0.00 0.00 55.95 58.59 3hb7 s SER 100 Cb 0.08 -2.59 1.17 0.00 -1.71 0.00 0.00 66.02 62.97 3hb7 s SER 100 CO 0.70 -0.11 2.08 1.23 1.20 0.00 0.00 173.24 178.34 3hb7 h GLY 101 N 3.26 0.00 1.72 9.45 0.00 -1.84 -2.82 103.07 112.84 3hb7 h GLY 101 Ca -0.47 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.73 3hb7 h GLY 101 CO 0.65 0.00 -0.53 0.74 0.00 0.00 0.00 176.54 177.40 3hb7 h PHE 102 N 0.00 0.36 -3.11 5.60 0.04 -1.92 -3.42 116.94 114.49 3hb7 h PHE 102 Ca -0.00 -0.12 -0.57 0.00 2.80 0.00 0.00 57.97 60.07 3hb7 h PHE 102 Cb 0.15 -0.07 -0.05 0.00 2.20 0.00 0.00 35.95 38.18 3hb7 h PHE 102 CO 0.00 0.76 0.88 0.00 -0.60 0.00 0.00 178.31 179.35 3hb7 s ALA 103 N -3.93 3.55 -1.70 2.45 0.00 -1.07 -2.96 121.76 118.10 3hb7 s ALA 103 Ca -0.05 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.09 3hb7 s ALA 103 Cb 0.12 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3hb7 s ALA 103 CO 0.80 -1.38 0.00 0.72 0.00 0.00 0.00 175.76 175.90 3hb7 n HIS 104 N 6.87 -0.70 -4.60 0.00 8.25 -1.26 -4.69 115.22 119.09 3hb7 n HIS 104 Ca 0.13 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.31 3hb7 n HIS 104 Cb 0.46 -3.58 -0.05 0.00 1.12 0.00 0.00 29.99 27.93 3hb7 n HIS 104 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3hb7 n THR 105 N -3.67 0.00 -0.98 1.59 -2.24 -1.15 -5.00 114.28 102.83 3hb7 n THR 105 Ca -0.22 -2.11 0.06 0.00 -2.27 0.00 0.00 64.05 59.52 3hb7 n THR 105 Cb 0.66 0.38 0.32 0.00 -2.10 0.00 0.00 70.33 69.59 3hb7 n THR 105 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hb7 n ASP 106 N -1.32 4.70 -0.10 3.42 3.85 -1.26 -4.67 116.55 121.17 3hb7 n ASP 106 Ca -0.17 -3.03 -0.10 0.00 -0.71 0.00 0.00 54.79 50.78 3hb7 n ASP 106 Cb 0.57 -0.62 -0.02 0.00 -1.35 0.00 0.00 41.12 39.69 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 2.76 0.42 -0.64 -2.12 5.85 -1.86 -1.96 115.31 117.76 3hb7 h LEU 107 Ca 0.03 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 3hb7 h LEU 107 Cb 1.75 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.64 3hb7 h LEU 107 CO 0.38 0.47 0.37 -0.78 -0.34 0.00 0.00 178.44 178.54 3hb7 h ASP 108 N 0.35 0.79 -0.66 1.25 3.58 -1.89 -0.85 116.42 119.00 3hb7 h ASP 108 Ca 0.10 -0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 3hb7 h ASP 108 Cb 0.17 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 3hb7 h ASP 108 CO -0.01 0.63 0.30 0.25 -2.88 0.00 0.00 179.24 177.54 3hb7 h LEU 109 N 0.87 0.87 -0.46 2.28 5.85 -1.87 0.92 115.31 123.77 3hb7 h LEU 109 Ca 0.23 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3hb7 h LEU 109 Cb 0.01 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 3hb7 h LEU 109 CO -0.04 0.77 0.25 0.22 -0.34 0.00 0.00 178.44 179.30 3hb7 h TYR 110 N 0.91 0.63 -0.63 1.25 3.20 -0.51 -0.29 116.97 121.54 3hb7 h TYR 110 Ca 0.22 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 3hb7 h TYR 110 Cb 0.14 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.18 3hb7 h TYR 110 CO 0.01 0.47 0.24 -0.07 -1.64 0.00 0.00 178.16 177.17 3hb7 h LEU 111 N 0.60 0.87 -0.43 2.82 4.07 -0.83 -2.43 115.31 119.97 3hb7 h LEU 111 Ca 0.16 -0.18 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 3hb7 h LEU 111 Cb 0.05 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.55 3hb7 h LEU 111 CO -0.03 0.81 0.24 0.11 -1.08 0.00 0.00 178.44 178.50 3hb7 h LYS 112 N 0.88 0.60 -0.70 1.13 1.57 -0.30 -2.75 116.57 116.99 3hb7 h LYS 112 Ca 0.21 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3hb7 h LYS 112 Cb 0.22 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3hb7 h LYS 112 CO -0.02 0.48 0.36 0.93 -0.57 0.00 0.00 179.45 180.63 3hb7 h GLU 113 N 0.56 0.98 -0.17 3.15 5.08 -0.83 -2.71 114.58 120.64 3hb7 h GLU 113 Ca 0.15 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3hb7 h GLU 113 Cb 0.05 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.11 3hb7 h GLU 113 CO -0.03 0.74 0.00 0.39 -1.00 0.00 0.00 179.01 179.11 3hb7 n GLU 114 N -4.35 1.84 -3.59 2.33 -0.58 -0.94 -4.96 120.64 110.40 3hb7 n GLU 114 Ca 0.07 -1.26 -0.22 0.00 -0.42 0.00 0.00 57.16 55.32 3hb7 n GLU 114 Cb 0.12 -1.42 0.07 0.00 -0.57 0.00 0.00 31.44 29.64 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 1.19 -0.46 3.73 0.62 0.00 -1.02 -4.99 105.19 104.26 3hb7 n GLY 115 Ca 0.17 0.19 -0.37 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.36 5.28 -0.34 -0.61 1.01 -1.07 -4.61 121.20 117.50 3hb7 s ILE 116 Ca 0.35 0.64 0.17 0.00 0.00 0.00 0.00 60.65 61.81 3hb7 s ILE 116 Cb -0.16 -3.67 -0.23 0.00 0.01 0.00 0.00 42.46 38.41 3hb7 s ILE 116 CO 0.75 0.38 0.51 -0.90 0.00 0.00 0.00 174.94 175.68 3hb7 n ASP 117 N 3.54 0.98 -4.02 3.58 5.75 -0.97 -4.80 116.55 120.61 3hb7 n ASP 117 Ca -0.11 -0.38 -0.19 0.00 -0.01 0.00 0.00 54.79 54.10 3hb7 n ASP 117 Cb 0.52 1.44 -0.15 0.00 -1.03 0.00 0.00 41.12 41.90 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 -2.91 0.71 -0.06 2.12 2.01 -1.20 -1.45 115.64 114.86 3hb7 s THR 118 Ca -0.01 -0.38 0.04 0.00 0.31 0.00 0.00 61.69 61.65 3hb7 s THR 118 Cb 0.12 -0.60 -0.02 0.00 0.01 0.00 0.00 72.50 72.00 3hb7 s THR 118 CO 0.69 0.21 -0.17 0.68 -0.69 0.00 0.00 174.62 175.33 3hb7 s VAL 119 N -0.16 2.78 -0.11 3.82 -7.23 0.16 -1.90 120.40 117.76 3hb7 s VAL 119 Ca 0.03 -0.81 0.03 0.00 -1.81 0.00 0.00 61.98 59.42 3hb7 s VAL 119 Cb -0.04 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.82 3hb7 s VAL 119 CO -0.00 0.58 -0.23 0.54 -0.31 0.00 0.00 175.10 175.68 3hb7 s VAL 120 N -0.45 2.01 -0.14 1.32 0.11 0.48 -0.64 120.40 123.10 3hb7 s VAL 120 Ca 0.05 -0.97 -0.09 0.00 -2.93 0.00 0.00 61.98 58.04 3hb7 s VAL 120 Cb -0.12 -1.75 -0.04 0.00 -1.53 0.00 0.00 36.38 32.93 3hb7 s VAL 120 CO 0.02 0.54 0.16 -0.76 -3.33 0.00 0.00 175.10 171.74 3hb7 s LEU 121 N 0.54 4.34 0.13 2.54 2.01 -0.05 -0.51 118.68 127.67 3hb7 s LEU 121 Ca -0.14 0.44 -0.06 0.00 0.01 0.00 0.00 54.13 54.38 3hb7 s LEU 121 Cb -0.17 -2.13 -0.02 0.00 0.01 0.00 0.00 46.19 43.88 3hb7 s LEU 121 CO 0.05 0.32 0.17 0.42 1.01 0.00 0.00 176.35 178.31 3hb7 s THR 122 N -0.54 0.10 0.00 5.49 -4.23 -0.44 -2.55 115.64 113.48 3hb7 s THR 122 Ca 0.14 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 3hb7 s THR 122 Cb -0.12 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 71.93 3hb7 s THR 122 CO 0.03 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.24 3hb7 n GLY 123 N -0.12 -0.76 3.21 3.99 0.00 -0.61 -2.18 105.19 108.72 3hb7 n GLY 123 Ca -0.09 -2.11 -0.12 0.00 0.00 0.00 0.00 46.02 43.70 3hb7 n GLY 123 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hb7 s VAL 124 N 0.00 0.62 0.37 1.61 -7.23 -0.69 -2.32 120.40 112.76 3hb7 s VAL 124 Ca 0.00 -1.96 -0.22 0.00 -1.81 0.00 0.00 61.98 58.00 3hb7 s VAL 124 Cb 0.00 -1.97 -0.10 0.00 0.56 0.00 0.00 36.38 34.87 3hb7 s VAL 124 CO 0.00 -0.60 0.91 0.26 -0.31 0.00 0.00 175.10 175.35 3hb7 s TRP 125 N -3.69 3.46 0.17 2.82 0.52 -1.26 -4.37 118.94 116.59 3hb7 s TRP 125 Ca 0.20 1.60 -0.14 0.00 0.02 0.00 0.00 56.10 57.78 3hb7 s TRP 125 Cb 0.06 -2.82 0.07 0.00 -1.15 0.00 0.00 33.47 29.63 3hb7 s TRP 125 CO 0.01 0.04 1.82 1.15 0.02 0.00 0.00 176.95 179.99 3hb7 h THR 126 N 2.19 1.09 -0.01 2.01 2.02 -1.47 -1.83 112.91 116.90 3hb7 h THR 126 Ca -0.48 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.49 3hb7 h THR 126 Cb 1.18 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 3hb7 h THR 126 CO 0.63 0.11 -0.08 -0.46 0.37 0.00 0.00 175.52 176.09 3hb7 n ASN 127 N -4.78 1.20 0.00 4.18 2.04 -1.26 -2.36 115.26 114.28 3hb7 n ASN 127 Ca 0.03 -1.23 0.00 0.00 -0.44 0.00 0.00 54.58 52.94 3hb7 n ASN 127 Cb 0.05 0.03 0.00 0.00 -2.53 0.00 0.00 39.78 37.33 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 -0.21 0.00 -0.02 3.53 0.31 -0.75 -4.69 118.33 116.49 3hb7 n VAL 128 Ca 0.17 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.48 3hb7 n VAL 128 Cb 0.33 -0.05 0.25 0.00 -0.91 0.00 0.00 33.84 33.47 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 0.55 1.23 -0.67 0.00 2.07 -1.57 -2.47 116.25 115.39 3hb7 h VAL 130 Ca 0.11 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 3hb7 h VAL 130 Cb 0.40 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 3hb7 h VAL 130 CO 0.02 0.25 0.24 -0.09 0.02 0.00 0.00 177.57 178.01 3hb7 h ARG 131 N 0.28 1.02 -0.71 1.57 9.65 -1.25 -1.88 114.38 123.05 3hb7 h ARG 131 Ca 0.09 -0.20 -0.06 0.00 -1.10 0.00 0.00 59.98 58.70 3hb7 h ARG 131 Cb 0.33 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.72 3hb7 h ARG 131 CO 0.00 0.86 0.20 0.77 2.80 0.00 0.00 179.97 184.61 3hb7 h SER 132 N 0.96 1.06 -0.69 -3.80 0.02 -1.39 0.13 113.55 109.84 3hb7 h SER 132 Ca 0.22 -0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 3hb7 h SER 132 Cb 0.24 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 3hb7 h SER 132 CO -0.01 1.00 0.21 0.74 -1.14 0.00 0.00 176.83 177.62 3hb7 h THR 133 N 1.07 1.26 -0.55 -2.27 2.02 -1.25 -2.24 112.91 110.95 3hb7 h THR 133 Ca 0.23 -0.89 -0.03 0.00 0.77 0.00 0.00 66.41 66.48 3hb7 h THR 133 Cb 0.33 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 3hb7 h THR 133 CO -0.00 0.34 0.21 0.00 0.37 0.00 0.00 175.52 176.44 3hb7 h ALA 134 N 1.09 0.71 -0.51 6.16 0.00 -0.79 -1.07 119.26 124.86 3hb7 h ALA 134 Ca 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3hb7 h ALA 134 Cb 0.31 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3hb7 h ALA 134 CO -0.01 0.33 0.25 1.15 0.00 0.00 0.00 179.25 180.98 3hb7 h THR 135 N 0.75 1.19 -0.30 0.00 2.02 -0.87 -2.30 112.91 113.40 3hb7 h THR 135 Ca 0.18 -0.53 -0.09 0.00 0.77 0.00 0.00 66.41 66.74 3hb7 h THR 135 Cb 0.22 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 3hb7 h THR 135 CO -0.01 0.21 -0.19 0.44 0.37 0.00 0.00 175.52 176.34 3hb7 h ASP 136 N 0.68 0.54 -0.59 4.18 5.19 -1.24 -1.69 116.42 123.48 3hb7 h ASP 136 Ca 0.18 -0.17 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 3hb7 h ASP 136 Cb 0.10 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 39.44 3hb7 h ASP 136 CO -0.02 0.74 0.24 0.00 -3.12 0.00 0.00 179.24 177.08 3hb7 h ALA 137 N 1.31 0.77 -0.71 3.45 0.00 -0.94 -2.03 119.26 121.10 3hb7 h ALA 137 Ca 0.08 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3hb7 h ALA 137 Cb 0.61 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3hb7 h ALA 137 CO 0.04 0.38 0.27 1.25 0.00 0.00 0.00 179.25 181.20 3hb7 h LEU 138 N 0.82 1.00 -2.12 0.00 6.46 -1.32 -0.21 115.31 119.94 3hb7 h LEU 138 Ca 0.20 -0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.76 3hb7 h LEU 138 Cb 0.20 -0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 39.87 3hb7 h LEU 138 CO -0.02 0.91 -0.07 0.00 -0.62 0.00 0.00 178.44 178.64 3hb7 h ALA 139 N 1.13 1.23 -0.51 1.25 0.00 -0.99 -0.99 119.26 120.38 3hb7 h ALA 139 Ca 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hb7 h ALA 139 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3hb7 h ALA 139 CO -0.02 0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.41 3hb7 n ASN 140 N -3.50 5.07 -3.38 0.00 3.02 -0.79 -4.93 115.26 110.75 3hb7 n ASN 140 Ca -0.02 -2.84 -0.24 0.00 -0.03 0.00 0.00 54.58 51.45 3hb7 n ASN 140 Cb 0.20 -0.62 0.06 0.00 -0.61 0.00 0.00 39.78 38.81 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 0.44 -1.18 -2.79 5.41 0.00 -0.37 -5.02 120.51 117.00 3hb7 n ALA 141 Ca 0.26 0.36 -0.34 0.00 0.00 0.00 0.00 53.44 53.72 3hb7 n ALA 141 Cb 1.05 -4.88 -0.05 0.00 0.00 0.00 0.00 19.45 15.57 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 -3.27 3.55 0.42 0.00 2.02 -0.12 -5.00 117.35 114.96 3hb7 s TYR 142 Ca 0.48 0.50 -0.24 0.00 -0.37 0.00 0.00 57.07 57.44 3hb7 s TYR 142 Cb -0.21 -1.94 -0.08 0.00 -0.40 0.00 0.00 41.96 39.33 3hb7 s TYR 142 CO 0.60 0.59 1.15 0.15 -1.57 0.00 0.00 175.55 176.47 3hb7 s LYS 143 N -1.99 3.95 -0.09 -0.62 1.02 -0.53 -3.99 119.74 117.48 3hb7 s LYS 143 Ca 0.30 1.77 0.02 0.00 0.02 0.00 0.00 55.97 58.07 3hb7 s LYS 143 Cb -0.13 -2.55 0.01 0.00 -0.52 0.00 0.00 37.83 34.65 3hb7 s LYS 143 CO 0.19 -0.39 -0.15 0.08 -0.92 0.00 0.00 175.35 174.16 3hb7 s VAL 144 N -1.50 1.40 -0.06 3.17 1.01 -1.26 0.40 120.40 123.56 3hb7 s VAL 144 Ca 0.60 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.99 3hb7 s VAL 144 Cb -0.29 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 3hb7 s VAL 144 CO 0.35 0.42 -0.10 -0.63 0.00 0.00 0.00 175.10 175.14 3hb7 s ILE 145 N 0.86 3.44 -0.09 2.22 1.01 0.19 -1.85 121.20 126.98 3hb7 s ILE 145 Ca -0.10 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 59.99 3hb7 s ILE 145 Cb -0.15 -2.39 -0.02 0.00 0.01 0.00 0.00 42.46 39.90 3hb7 s ILE 145 CO 0.01 0.59 -0.11 -0.89 0.00 0.00 0.00 174.94 174.54 3hb7 s THR 146 N -0.73 3.30 -0.35 2.92 2.01 -0.51 -0.87 115.64 121.40 3hb7 s THR 146 Ca 0.11 -0.61 -0.12 0.00 0.31 0.00 0.00 61.69 61.39 3hb7 s THR 146 Cb -0.11 -2.35 0.01 0.00 0.01 0.00 0.00 72.50 70.05 3hb7 s THR 146 CO 0.01 0.56 0.22 -0.76 -0.69 0.00 0.00 174.62 173.96 3hb7 s LEU 147 N -0.29 4.57 0.30 4.42 1.43 -1.06 -4.24 118.68 123.81 3hb7 s LEU 147 Ca 0.03 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 3hb7 s LEU 147 Cb -0.13 -2.07 0.47 0.00 0.03 0.00 0.00 46.19 44.49 3hb7 s LEU 147 CO 0.03 -0.31 1.86 0.77 0.23 0.00 0.00 176.35 178.94 3hb7 h SER 148 N 8.46 0.73 -0.40 2.29 4.64 -1.89 -2.12 113.55 125.25 3hb7 h SER 148 Ca -0.29 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3hb7 h SER 148 Cb 1.13 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3hb7 h SER 148 CO 0.66 0.69 0.00 -0.90 -0.87 0.00 0.00 176.83 176.41 3hb7 n ASP 149 N -4.30 3.24 -1.16 4.97 5.75 -1.26 -4.04 116.55 119.75 3hb7 n ASP 149 Ca 0.04 -1.93 0.11 0.00 -0.01 0.00 0.00 54.79 53.00 3hb7 n ASP 149 Cb 0.19 -0.26 0.25 0.00 -1.03 0.00 0.00 41.12 40.28 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 1.17 2.15 3.13 6.12 0.00 -0.82 -4.81 105.19 112.14 3hb7 n GLY 150 Ca 0.17 -0.71 -0.10 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 -1.18 0.51 0.23 2.61 -4.23 -1.07 -1.58 115.64 110.94 3hb7 s THR 151 Ca 0.41 -1.78 -0.20 0.00 -1.18 0.00 0.00 61.69 58.94 3hb7 s THR 151 Cb 0.22 -1.48 0.03 0.00 1.34 0.00 0.00 72.50 72.61 3hb7 s THR 151 CO 0.30 -0.85 0.63 0.00 -0.54 0.00 0.00 174.62 174.16 3hb7 s ALA 152 N -3.42 -1.15 0.21 3.99 0.00 -0.98 -4.93 121.76 115.47 3hb7 s ALA 152 Ca 0.07 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 51.89 3hb7 s ALA 152 Cb 0.04 0.88 -0.01 0.00 0.00 0.00 0.00 23.12 24.02 3hb7 s ALA 152 CO -0.06 -0.92 0.13 0.45 0.00 0.00 0.00 175.76 175.37 3hb7 n SER 153 N -0.41 0.18 -0.29 0.00 2.88 -1.26 -1.42 113.62 113.29 3hb7 n SER 153 Ca -0.08 -2.24 -0.05 0.00 -1.33 0.00 0.00 58.87 55.17 3hb7 n SER 153 Cb 0.61 0.81 0.07 0.00 -0.75 0.00 0.00 64.21 64.95 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 1.16 -5.11 -1.46 3.64 -1.96 -2.88 116.57 109.97 3hb7 h LYS 154 Ca -0.15 -0.18 -0.34 0.00 -1.27 0.00 0.00 60.65 58.71 3hb7 h LYS 154 Cb 0.68 -0.21 -0.16 0.00 -0.41 0.00 0.00 32.23 32.14 3hb7 h LYS 154 CO 0.23 0.91 -0.72 0.95 -2.27 0.00 0.00 179.45 178.54 3hb7 s THR 155 N -5.68 1.17 0.27 1.00 -4.23 -1.26 -4.21 115.64 102.71 3hb7 s THR 155 Ca -0.13 -1.95 -0.01 0.00 -1.18 0.00 0.00 61.69 58.42 3hb7 s THR 155 Cb 0.16 -1.73 0.12 0.00 1.34 0.00 0.00 72.50 72.38 3hb7 s THR 155 CO 0.83 -0.67 1.77 -0.33 -0.54 0.00 0.00 174.62 175.68 3hb7 h GLU 156 N 2.99 0.72 -1.43 3.99 5.08 -2.03 -2.32 114.58 121.59 3hb7 h GLU 156 Ca -0.37 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 3hb7 h GLU 156 Cb 1.19 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3hb7 h GLU 156 CO 0.60 0.75 0.00 -0.85 -1.00 0.00 0.00 179.01 178.51 3hb7 n GLU 157 N -4.22 0.20 0.00 2.33 0.00 -1.26 -1.53 120.64 116.16 3hb7 n GLU 157 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.18 3hb7 n GLU 157 Cb 0.30 -1.33 0.00 0.00 0.00 0.00 0.00 31.44 30.41 3hb7 n GLU 157 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 3hb7 n HIS 159 N 0.78 0.00 -0.05 -1.84 -0.00 -0.87 -2.43 115.22 110.81 3hb7 n HIS 159 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.60 3hb7 n HIS 159 Cb 0.09 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.02 3hb7 n HIS 159 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 3hb7 h GLU 160 N 0.00 0.26 -0.01 1.57 5.08 -1.56 -1.76 114.58 118.15 3hb7 h GLU 160 Ca 0.00 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 3hb7 h GLU 160 Cb 0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3hb7 h GLU 160 CO 0.00 0.47 -0.37 0.10 -1.00 0.00 0.00 179.01 178.21 3hb7 h TYR 161 N 0.01 0.03 -0.68 4.33 -0.00 -1.76 -2.09 116.97 116.82 3hb7 h TYR 161 Ca 0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 58.73 58.73 3hb7 h TYR 161 Cb 0.35 -0.01 -0.03 0.00 0.00 0.00 0.00 36.73 37.05 3hb7 h TYR 161 CO 0.03 0.40 0.27 0.78 -0.00 0.00 0.00 178.16 179.64 3hb7 h GLY 162 N 1.13 1.09 1.54 0.10 0.00 -1.80 -1.96 103.07 103.18 3hb7 h GLY 162 Ca -0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.69 3hb7 h GLY 162 CO 0.05 0.56 0.05 1.41 0.00 0.00 0.00 176.54 178.61 3hb7 h LEU 163 N 0.96 0.53 -0.45 3.11 3.38 -1.10 -1.04 115.31 120.71 3hb7 h LEU 163 Ca 0.23 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3hb7 h LEU 163 Cb 0.21 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3hb7 h LEU 163 CO -0.02 0.57 0.18 -1.13 0.09 0.00 0.00 178.44 178.13 3hb7 h ASN 164 N 0.56 0.63 -0.50 -0.43 -0.00 -0.98 0.12 115.58 114.99 3hb7 h ASN 164 Ca 0.13 -0.17 -0.05 0.00 -0.00 0.00 0.00 56.30 56.21 3hb7 h ASN 164 Cb 0.28 -0.16 -0.02 0.00 -0.00 0.00 0.00 38.32 38.41 3hb7 h ASN 164 CO 0.00 0.63 0.13 0.44 -0.00 0.00 0.00 177.43 178.63 3hb7 h ASP 165 N 0.59 0.75 0.28 1.15 3.32 -1.14 -2.98 116.42 118.39 3hb7 h ASP 165 Ca 0.15 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 3hb7 h ASP 165 Cb 0.20 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3hb7 h ASP 165 CO -0.01 0.78 -0.22 -0.07 -1.72 0.00 0.00 179.24 178.00 3hb7 h LEU 166 N 0.68 0.00 -1.54 1.55 3.38 -0.94 -2.08 115.31 116.37 3hb7 h LEU 166 Ca 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3hb7 h LEU 166 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3hb7 h LEU 166 CO 0.00 0.22 -0.12 0.77 0.09 0.00 0.00 178.44 179.40 3hb7 h SER 167 N 0.00 0.00 -0.61 -0.43 4.64 -0.81 -0.92 113.55 115.42 3hb7 h SER 167 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3hb7 h SER 167 Cb 0.42 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.48 3hb7 h SER 167 CO 0.03 0.12 0.26 0.40 -0.87 0.00 0.00 176.83 176.77 3hb7 h ILE 168 N 0.00 1.23 0.00 0.95 2.04 -1.37 -3.36 117.51 117.00 3hb7 h ILE 168 Ca -0.00 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.17 3hb7 h ILE 168 Cb 0.53 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3hb7 h ILE 168 CO 0.02 0.27 0.00 2.22 0.00 0.00 0.00 178.15 180.66 3hb7 n PHE 169 N -4.47 0.00 -4.26 1.37 1.16 -1.18 -5.06 117.46 105.03 3hb7 n PHE 169 Ca 0.04 -0.09 -0.14 0.00 -1.87 0.00 0.00 57.45 55.38 3hb7 n PHE 169 Cb 0.16 -0.01 -0.10 0.00 -1.61 0.00 0.00 39.48 37.92 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 -0.19 1.06 -0.38 1.97 -4.23 -0.36 -4.83 115.64 108.69 3hb7 s THR 170 Ca 0.00 -2.04 -0.22 0.00 -1.18 0.00 0.00 61.69 58.25 3hb7 s THR 170 Cb 0.00 -1.94 0.01 0.00 1.34 0.00 0.00 72.50 71.91 3hb7 s THR 170 CO 0.00 -0.66 0.71 -0.75 -0.54 0.00 0.00 174.62 173.37 3hb7 s LYS 171 N -3.79 3.61 0.08 3.99 2.20 -0.77 -4.52 119.74 120.54 3hb7 s LYS 171 Ca 0.19 0.05 -0.05 0.00 -0.36 0.00 0.00 55.97 55.80 3hb7 s LYS 171 Cb 0.04 -3.85 -0.05 0.00 -1.51 0.00 0.00 37.83 32.46 3hb7 s LYS 171 CO 0.02 -0.87 0.31 0.08 -0.36 0.00 0.00 175.35 174.53 3hb7 s VAL 172 N 2.94 5.24 0.32 4.02 1.01 -1.26 -1.43 120.40 131.24 3hb7 s VAL 172 Ca 0.27 0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.33 3hb7 s VAL 172 Cb -0.14 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 3hb7 s VAL 172 CO 0.17 0.17 0.41 0.42 0.00 0.00 0.00 175.10 176.28 3hb7 s THR 174 N -1.51 4.16 0.13 3.92 -4.23 -1.26 -4.96 115.64 111.90 3hb7 s THR 174 Ca 0.35 -1.08 -0.17 0.00 -1.18 0.00 0.00 61.69 59.62 3hb7 s THR 174 Cb -0.13 -3.43 -0.01 0.00 1.34 0.00 0.00 72.50 70.26 3hb7 s THR 174 CO 0.22 -0.19 1.70 0.58 -0.54 0.00 0.00 174.62 176.39 3hb7 h VAL 175 N 1.02 1.17 -0.62 2.29 2.07 -1.93 -1.34 116.25 118.91 3hb7 h VAL 175 Ca -0.47 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 3hb7 h VAL 175 Cb 1.25 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 3hb7 h VAL 175 CO 0.55 0.19 0.30 0.44 0.02 0.00 0.00 177.57 179.07 3hb7 h ASP 176 N 0.46 0.82 -0.81 0.57 3.32 -1.99 -1.41 116.42 117.38 3hb7 h ASP 176 Ca 0.13 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3hb7 h ASP 176 Cb 0.14 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 3hb7 h ASP 176 CO -0.01 0.72 0.44 1.56 -1.72 0.00 0.00 179.24 180.23 3hb7 h GLN 177 N 0.86 1.13 -0.58 3.56 4.20 -1.94 -1.40 115.11 120.94 3hb7 h GLN 177 Ca 0.21 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 3hb7 h GLN 177 Cb 0.12 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 3hb7 h GLN 177 CO -0.03 0.84 0.12 -0.92 -0.67 0.00 0.00 178.83 178.17 3hb7 h TYR 178 N 1.13 1.01 -0.62 2.96 3.20 -0.79 -1.99 116.97 121.86 3hb7 h TYR 178 Ca 0.28 -0.13 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 3hb7 h TYR 178 Cb 0.03 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.00 3hb7 h TYR 178 CO 0.00 0.86 0.18 0.82 -1.64 0.00 0.00 178.16 178.39 3hb7 h ILE 179 N 0.86 1.25 -0.81 1.81 2.04 -1.01 -3.01 117.51 118.64 3hb7 h ILE 179 Ca 0.18 -0.86 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 3hb7 h ILE 179 Cb 0.38 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 3hb7 h ILE 179 CO 0.01 0.33 0.34 -0.61 0.00 0.00 0.00 178.15 178.22 3hb7 h GLN 180 N 0.89 1.19 0.00 2.37 5.75 -1.13 -2.47 115.11 121.71 3hb7 h GLN 180 Ca 0.20 -0.20 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3hb7 h GLN 180 Cb 0.31 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 28.66 3hb7 h GLN 180 CO -0.00 0.95 0.00 0.00 -2.65 0.00 0.00 178.83 177.12 3hb7 h ALA 181 N 1.18 1.00 -0.01 3.38 0.00 -1.22 0.16 119.26 123.75 3hb7 h ALA 181 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3hb7 h ALA 181 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hb7 h ALA 181 CO -0.03 0.00 -0.41 0.91 0.00 0.00 0.00 179.25 179.73 3hb7 n TRP 182 N -2.69 0.00 1.11 0.00 7.02 -0.93 -4.95 117.44 116.99 3hb7 n TRP 182 Ca -0.01 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.59 3hb7 n TRP 182 Cb 0.11 -0.08 0.19 0.00 -2.42 0.00 0.00 31.31 29.11 3hb7 n TRP 182 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76