#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hb7 s LYS 3 N 0.00 0.43 0.16 0.00 2.20 -1.26 -4.87 119.74 116.40 3hb7 s LYS 3 Ca 0.00 -0.04 0.10 0.00 -0.36 0.00 0.00 55.97 55.67 3hb7 s LYS 3 Cb 0.00 -0.51 -0.04 0.00 -1.51 0.00 0.00 37.83 35.76 3hb7 s LYS 3 CO 0.00 -0.05 -0.22 -1.01 -0.36 0.00 0.00 175.35 173.71 3hb7 s HIS 4 N 0.65 2.04 -0.11 4.03 3.76 -0.24 -2.13 115.29 123.28 3hb7 s HIS 4 Ca -0.07 -0.41 0.03 0.00 -0.15 0.00 0.00 55.06 54.46 3hb7 s HIS 4 Cb -0.10 -1.04 0.01 0.00 1.11 0.00 0.00 32.58 32.56 3hb7 s HIS 4 CO -0.01 0.37 -0.20 0.00 -0.85 0.00 0.00 174.74 174.05 3hb7 s ALA 5 N -1.67 2.01 -0.09 -1.40 0.00 -0.37 -1.56 121.76 118.69 3hb7 s ALA 5 Ca 0.16 -0.91 -0.21 0.00 0.00 0.00 0.00 51.96 50.99 3hb7 s ALA 5 Cb -0.08 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 3hb7 s ALA 5 CO 0.07 0.07 0.61 0.42 0.00 0.00 0.00 175.76 176.94 3hb7 s ILE 6 N 0.69 5.10 -0.17 0.00 1.01 0.25 -0.64 121.20 127.44 3hb7 s ILE 6 Ca -0.11 1.25 -0.03 0.00 0.00 0.00 0.00 60.65 61.76 3hb7 s ILE 6 Cb -0.16 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 3hb7 s ILE 6 CO 0.02 0.28 -0.06 -0.76 0.00 0.00 0.00 174.94 174.42 3hb7 s LEU 7 N 0.71 3.00 -0.27 2.97 1.43 0.11 -1.24 118.68 125.39 3hb7 s LEU 7 Ca 0.33 -0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 53.11 3hb7 s LEU 7 Cb -0.17 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.33 3hb7 s LEU 7 CO 0.15 0.11 0.05 -0.69 0.23 0.00 0.00 176.35 176.19 3hb7 s VAL 8 N 0.71 3.81 -0.31 -1.59 1.01 -0.31 -1.53 120.40 122.19 3hb7 s VAL 8 Ca -0.03 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 3hb7 s VAL 8 Cb -0.15 -2.90 0.03 0.00 0.00 0.00 0.00 36.38 33.36 3hb7 s VAL 8 CO 0.02 0.18 0.06 -0.63 0.00 0.00 0.00 175.10 174.73 3hb7 s ILE 9 N 1.50 3.60 0.34 2.22 1.01 -0.67 -1.38 121.20 127.81 3hb7 s ILE 9 Ca 0.03 -1.03 0.00 0.00 0.00 0.00 0.00 60.65 59.66 3hb7 s ILE 9 Cb -0.16 -2.96 0.00 0.00 0.01 0.00 0.00 42.46 39.35 3hb7 s ILE 9 CO 0.01 -0.04 0.00 0.47 0.00 0.00 0.00 174.94 175.38 3hb7 n ASP 10 N 4.78 -9.02 0.00 3.58 8.00 -0.64 -1.99 116.55 121.26 3hb7 n ASP 10 Ca -0.14 1.39 0.00 0.00 0.71 0.00 0.00 54.79 56.75 3hb7 n ASP 10 Cb 0.46 -5.04 0.00 0.00 -0.02 0.00 0.00 41.12 36.51 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 0.81 0.00 -0.24 0.64 4.77 -1.26 -4.68 117.00 117.04 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 0.21 0.00 -2.33 0.00 0.00 43.42 41.30 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 0.92 0.59 -1.43 2.35 -1.30 0.14 115.58 116.85 3hb7 h ASN 13 Ca 0.00 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3hb7 h ASN 13 Cb 0.00 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.14 3hb7 h ASN 13 CO 0.00 0.68 -0.02 0.44 -1.65 0.00 0.00 177.43 176.88 3hb7 h ASP 14 N 1.07 0.00 0.00 5.81 5.19 -1.33 -3.20 116.42 123.97 3hb7 h ASP 14 Ca 0.29 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.70 3hb7 h ASP 14 Cb -0.10 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.41 3hb7 h ASP 14 CO -0.06 0.02 -1.57 0.49 -3.12 0.00 0.00 179.24 175.00 3hb7 n PHE 15 N -3.14 0.00 -4.94 4.55 3.72 0.26 -2.49 117.46 115.42 3hb7 n PHE 15 Ca -0.01 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.08 3hb7 n PHE 15 Cb 0.22 -0.30 -0.17 0.00 -0.94 0.00 0.00 39.48 38.29 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 -2.92 1.92 0.00 -4.37 1.01 0.11 -0.82 120.40 115.33 3hb7 s VAL 16 Ca -0.04 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.01 3hb7 s VAL 16 Cb 0.09 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.79 3hb7 s VAL 16 CO 0.58 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.82 3hb7 n GLY 17 N 3.76 2.72 0.29 4.51 0.00 -1.26 -4.66 105.19 110.55 3hb7 n GLY 17 Ca -0.20 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.75 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 0.64 -0.26 1.61 5.08 -1.97 -2.91 114.58 116.77 3hb7 h GLU 18 Ca 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3hb7 h GLU 18 Cb 0.00 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.14 3hb7 h GLU 18 CO 0.00 0.56 0.00 0.36 -1.00 0.00 0.00 179.01 178.93 3hb7 n LYS 19 N -4.34 2.19 -1.85 2.33 2.85 -1.26 -4.95 118.16 113.13 3hb7 n LYS 19 Ca 0.03 -1.78 -0.42 0.00 -1.05 0.00 0.00 58.31 55.09 3hb7 n LYS 19 Cb 0.17 -1.47 -0.02 0.00 -0.65 0.00 0.00 35.03 33.07 3hb7 n LYS 19 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3hb7 s ALA 20 N -1.67 3.75 0.44 0.58 0.00 -1.10 -4.88 121.76 118.88 3hb7 s ALA 20 Ca 0.35 1.49 0.14 0.00 0.00 0.00 0.00 51.96 53.94 3hb7 s ALA 20 Cb 0.21 -3.63 0.97 0.00 0.00 0.00 0.00 23.12 20.67 3hb7 s ALA 20 CO 0.30 -0.89 1.98 -1.00 0.00 0.00 0.00 175.76 176.14 3hb7 h PRO 21 N 5.42 0.02 -2.11 0.00 0.13 -1.86 -3.16 132.00 130.43 3hb7 h PRO 21 Ca -0.46 -0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.11 3hb7 h PRO 21 Cb 1.21 -0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.93 3hb7 h PRO 21 CO 0.83 0.20 -0.88 1.28 -0.23 0.00 0.00 178.00 179.21 3hb7 n LEU 22 N -4.31 2.23 -4.77 1.56 7.99 -1.04 -5.08 117.00 113.59 3hb7 n LEU 22 Ca -0.02 -5.17 -0.41 0.00 -0.01 0.00 0.00 56.01 50.39 3hb7 n LEU 22 Cb 0.25 0.02 -0.01 0.00 -0.11 0.00 0.00 43.42 43.57 3hb7 n LEU 22 CO 0.37 2.16 1.09 -0.60 -1.51 0.00 0.00 177.39 178.90 3hb7 s ARG 23 N -2.25 4.22 -0.33 3.23 3.52 -1.20 -4.36 118.95 121.78 3hb7 s ARG 23 Ca 0.40 2.40 0.03 0.00 -0.13 0.00 0.00 55.73 58.44 3hb7 s ARG 23 Cb 0.22 -3.03 0.09 0.00 -1.56 0.00 0.00 34.95 30.67 3hb7 s ARG 23 CO -0.08 -0.41 0.04 0.00 -0.81 0.00 0.00 175.30 174.04 3hb7 h PRO 25 N 7.66 0.89 -0.15 0.00 0.11 -1.75 0.17 132.00 138.94 3hb7 h PRO 25 Ca -0.07 -0.12 -0.00 0.00 0.11 0.00 0.00 66.00 65.92 3hb7 h PRO 25 Cb 1.02 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 3hb7 h PRO 25 CO 0.52 0.70 0.09 0.78 -0.21 0.00 0.00 178.00 179.88 3hb7 h GLY 26 N 0.98 0.22 1.27 -0.55 0.00 -1.80 -1.11 103.07 102.07 3hb7 h GLY 26 Ca 0.22 -0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.50 3hb7 h GLY 26 CO -0.03 0.08 0.41 -1.33 0.00 0.00 0.00 176.54 175.67 3hb7 h GLY 27 N 0.24 0.81 1.04 4.60 0.00 -0.88 0.26 103.07 109.15 3hb7 h GLY 27 Ca 0.06 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 3hb7 h GLY 27 CO -0.01 0.24 0.21 0.83 0.00 0.00 0.00 176.54 177.81 3hb7 h GLU 28 N 0.71 1.08 -0.25 4.80 5.08 -1.21 -3.15 114.58 121.64 3hb7 h GLU 28 Ca 0.25 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3hb7 h GLU 28 Cb 0.10 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3hb7 h GLU 28 CO -0.07 0.94 -0.06 1.79 -1.00 0.00 0.00 179.01 180.61 3hb7 h THR 29 N 1.02 1.19 -0.00 1.13 1.35 -0.53 -3.02 112.91 114.06 3hb7 h THR 29 Ca 0.22 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 3hb7 h THR 29 Cb 0.31 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 3hb7 h THR 29 CO -0.01 0.26 -0.02 2.30 -0.25 0.00 0.00 175.52 177.80 3hb7 n ILE 30 N -4.28 0.00 -0.19 6.82 -5.35 -1.14 -4.10 119.36 111.13 3hb7 n ILE 30 Ca 0.00 -0.04 -0.07 0.00 -0.27 0.00 0.00 62.75 62.38 3hb7 n ILE 30 Cb 0.26 -0.32 0.02 0.00 -1.74 0.00 0.00 39.64 37.86 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 0.34 1.18 -0.71 7.28 2.04 -1.64 0.65 117.51 126.63 3hb7 h ILE 31 Ca 0.00 -0.44 -0.07 0.00 1.00 0.00 0.00 64.86 65.36 3hb7 h ILE 31 Cb 0.19 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 3hb7 h ILE 31 CO 0.00 0.19 0.19 -0.65 0.00 0.00 0.00 178.15 177.88 3hb7 h PRO 32 N 0.71 1.13 -0.50 2.37 0.11 -1.83 0.58 132.00 134.57 3hb7 h PRO 32 Ca 0.19 -0.26 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 3hb7 h PRO 32 Cb 0.03 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 30.97 3hb7 h PRO 32 CO -0.03 0.98 0.28 -0.44 -0.21 0.00 0.00 178.00 178.58 3hb7 h ASP 33 N 1.07 0.62 -0.58 -2.05 3.32 -1.65 -0.17 116.42 116.99 3hb7 h ASP 33 Ca 0.23 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 3hb7 h ASP 33 Cb 0.35 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 3hb7 h ASP 33 CO -0.00 0.53 0.13 -0.07 -1.72 0.00 0.00 179.24 178.11 3hb7 h LEU 34 N 0.66 0.92 -0.98 1.55 3.38 -0.45 -1.37 115.31 119.02 3hb7 h LEU 34 Ca 0.18 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3hb7 h LEU 34 Cb 0.04 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 3hb7 h LEU 34 CO -0.03 0.90 0.48 1.56 0.09 0.00 0.00 178.44 181.44 3hb7 h GLN 35 N 0.93 1.19 -0.41 1.13 4.20 0.65 -0.43 115.11 122.37 3hb7 h GLN 35 Ca 0.19 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 3hb7 h GLN 35 Cb 0.36 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 3hb7 h GLN 35 CO 0.00 0.87 0.19 -0.22 -0.67 0.00 0.00 178.83 179.00 3hb7 h LYS 36 N 1.20 0.59 -0.69 1.46 3.64 -0.41 -1.91 116.57 120.47 3hb7 h LYS 36 Ca 0.30 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 3hb7 h LYS 36 Cb 0.02 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 3hb7 h LYS 36 CO -0.05 0.53 0.25 0.97 -2.27 0.00 0.00 179.45 178.88 3hb7 h ILE 37 N 0.52 1.24 -0.60 2.00 2.10 -0.33 -2.08 117.51 120.36 3hb7 h ILE 37 Ca 0.14 -0.79 -0.02 0.00 1.08 0.00 0.00 64.86 65.27 3hb7 h ILE 37 Cb 0.14 0.45 -0.03 0.00 -1.09 0.00 0.00 36.82 36.29 3hb7 h ILE 37 CO -0.02 0.31 0.31 -0.26 -1.08 0.00 0.00 178.15 177.42 3hb7 h PHE 38 N 1.00 0.85 -0.48 2.19 0.05 -0.57 -2.13 116.94 117.85 3hb7 h PHE 38 Ca 0.23 -0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.97 3hb7 h PHE 38 Cb 0.23 -0.27 -0.02 0.00 2.00 0.00 0.00 35.95 37.89 3hb7 h PHE 38 CO 0.02 0.63 0.25 0.93 -0.18 0.00 0.00 178.31 179.95 3hb7 h GLU 39 N 0.82 0.68 -0.47 1.51 4.39 -0.88 -1.44 114.58 119.18 3hb7 h GLU 39 Ca 0.21 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 3hb7 h GLU 39 Cb 0.08 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 3hb7 h GLU 39 CO -0.03 0.55 0.23 2.35 -1.16 0.00 0.00 179.01 180.95 3hb7 h TRP 40 N 0.63 0.67 -0.45 4.33 7.01 -1.14 0.44 115.95 127.44 3hb7 h TRP 40 Ca 0.17 -0.03 -0.06 0.00 2.11 0.00 0.00 58.89 61.07 3hb7 h TRP 40 Cb 0.09 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 26.92 3hb7 h TRP 40 CO -0.01 0.53 0.04 0.28 -2.79 0.00 0.00 178.44 176.49 3hb7 h VAL 41 N 0.61 1.25 -0.53 2.65 2.07 -1.18 -1.64 116.25 119.48 3hb7 h VAL 41 Ca 0.16 -0.97 -0.07 0.00 0.82 0.00 0.00 66.70 66.65 3hb7 h VAL 41 Cb 0.11 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3hb7 h VAL 41 CO -0.02 0.34 0.07 0.03 0.02 0.00 0.00 177.57 178.00 3hb7 h ARG 42 N 0.62 0.85 -0.26 1.57 3.08 -1.07 -2.51 114.38 116.67 3hb7 h ARG 42 Ca 0.13 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 3hb7 h ARG 42 Cb 0.43 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3hb7 h ARG 42 CO 0.02 0.81 -0.06 0.78 -1.07 0.00 0.00 179.97 180.45 3hb7 h GLY 43 N 0.99 0.44 -3.58 0.04 0.00 -0.68 -3.45 103.07 96.83 3hb7 h GLY 43 Ca 0.17 -0.26 -0.53 0.00 0.00 0.00 0.00 47.33 46.71 3hb7 h GLY 43 CO 0.01 0.24 0.64 -1.60 0.00 0.00 0.00 176.54 175.84 3hb7 s ARG 44 N -4.87 4.04 0.25 4.80 3.52 -0.64 -4.98 118.95 121.08 3hb7 s ARG 44 Ca -0.07 2.24 -0.30 0.00 -0.13 0.00 0.00 55.73 57.47 3hb7 s ARG 44 Cb 0.15 -2.84 -0.09 0.00 -1.56 0.00 0.00 34.95 30.61 3hb7 s ARG 44 CO 0.75 -0.46 0.99 -1.83 -0.81 0.00 0.00 175.30 173.94 3hb7 s GLU 45 N -2.14 4.79 0.09 5.12 4.04 -1.26 -4.92 118.70 124.40 3hb7 s GLU 45 Ca 0.55 1.58 0.00 0.00 0.04 0.00 0.00 54.97 57.14 3hb7 s GLU 45 Cb -0.40 -3.26 0.00 0.00 0.02 0.00 0.00 34.13 30.49 3hb7 s GLU 45 CO 0.52 0.41 0.00 0.41 -1.84 0.00 0.00 175.26 174.76 3hb7 n GLY 46 N 1.45 -3.21 0.90 -3.83 0.00 -1.26 -4.77 105.19 94.46 3hb7 n GLY 46 Ca -0.02 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.12 2.34 0.04 1.61 4.64 -1.26 -4.76 116.55 119.03 3hb7 n ASP 47 Ca 0.00 -3.85 0.01 0.00 -1.38 0.00 0.00 54.79 49.57 3hb7 n ASP 47 Cb 0.00 -0.49 0.34 0.00 -1.04 0.00 0.00 41.12 39.93 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 1.24 0.41 -3.60 1.67 3.32 -1.89 -3.43 116.42 114.13 3hb7 h ASP 48 Ca 0.07 -0.07 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 3hb7 h ASP 48 Cb 1.12 -0.11 -0.32 0.00 0.22 0.00 0.00 39.33 40.24 3hb7 h ASP 48 CO 0.15 0.48 -0.82 -0.63 -1.72 0.00 0.00 179.24 176.70 3hb7 s ILE 49 N -4.96 1.22 -0.03 0.35 1.01 -1.26 -1.08 121.20 116.45 3hb7 s ILE 49 Ca -0.07 -0.56 0.05 0.00 0.00 0.00 0.00 60.65 60.07 3hb7 s ILE 49 Cb 0.16 -1.09 -0.03 0.00 0.01 0.00 0.00 42.46 41.51 3hb7 s ILE 49 CO 0.75 0.37 -0.17 -1.00 0.00 0.00 0.00 174.94 174.89 3hb7 s HIS 50 N 0.42 2.61 -0.19 3.97 3.76 -0.60 -4.99 115.29 120.26 3hb7 s HIS 50 Ca -0.10 -0.23 -0.11 0.00 -0.15 0.00 0.00 55.06 54.47 3hb7 s HIS 50 Cb -0.14 -1.58 -0.05 0.00 1.11 0.00 0.00 32.58 31.93 3hb7 s HIS 50 CO 0.03 0.16 0.17 -0.51 -0.85 0.00 0.00 174.74 173.74 3hb7 s LEU 51 N -0.84 4.23 -0.06 0.89 1.43 -1.26 -0.58 118.68 122.48 3hb7 s LEU 51 Ca 0.12 0.31 0.02 0.00 -1.03 0.00 0.00 54.13 53.55 3hb7 s LEU 51 Cb -0.10 -2.16 0.01 0.00 0.03 0.00 0.00 46.19 43.97 3hb7 s LEU 51 CO 0.01 0.17 -0.11 -0.69 0.23 0.00 0.00 176.35 175.96 3hb7 s VAL 52 N 0.32 1.05 -0.15 -1.59 1.01 -0.37 -3.79 120.40 116.88 3hb7 s VAL 52 Ca 0.10 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 3hb7 s VAL 52 Cb -0.12 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 3hb7 s VAL 52 CO -0.00 0.34 -0.04 -1.00 0.00 0.00 0.00 175.10 174.40 3hb7 s HIS 53 N 0.65 3.03 -0.15 5.22 0.09 -0.32 -1.16 115.29 122.64 3hb7 s HIS 53 Ca -0.14 -0.29 0.01 0.00 -0.00 0.00 0.00 55.06 54.65 3hb7 s HIS 53 Cb -0.15 -1.96 0.01 0.00 -0.00 0.00 0.00 32.58 30.48 3hb7 s HIS 53 CO 0.03 -0.02 -0.19 0.42 -0.00 0.00 0.00 174.74 174.98 3hb7 s ILE 54 N 0.34 2.33 -0.05 0.60 1.01 -0.48 -0.08 121.20 124.87 3hb7 s ILE 54 Ca -0.04 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.76 3hb7 s ILE 54 Cb -0.14 -1.96 0.01 0.00 0.01 0.00 0.00 42.46 40.37 3hb7 s ILE 54 CO 0.03 0.53 -0.12 0.00 0.00 0.00 0.00 174.94 175.38 3hb7 s GLN 55 N 0.90 1.47 0.16 2.79 -2.07 -0.52 -1.61 119.66 120.76 3hb7 s GLN 55 Ca -0.04 -0.42 -0.32 0.00 -1.82 0.00 0.00 55.36 52.76 3hb7 s GLN 55 Cb -0.15 -1.27 -0.10 0.00 -1.09 0.00 0.00 33.01 30.40 3hb7 s GLN 55 CO -0.03 0.11 1.65 -1.21 -1.32 0.00 0.00 175.29 174.49 3hb7 s GLU 56 N 0.37 4.18 -0.45 9.60 2.02 -1.26 -1.10 118.70 132.07 3hb7 s GLU 56 Ca -0.08 2.45 0.05 0.00 0.02 0.00 0.00 54.97 57.42 3hb7 s GLU 56 Cb -0.12 -3.23 0.20 0.00 0.10 0.00 0.00 34.13 31.07 3hb7 s GLU 56 CO 0.02 -0.69 0.44 0.00 0.02 0.00 0.00 175.26 175.05 3hb7 n ALA 57 N 4.36 2.85 -1.33 5.21 0.00 0.01 -4.77 120.51 126.83 3hb7 n ALA 57 Ca 0.15 -3.43 -0.31 0.00 0.00 0.00 0.00 53.44 49.86 3hb7 n ALA 57 Cb 0.38 -0.80 0.09 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.63 2.64 0.24 0.00 3.76 0.19 -4.26 115.29 117.23 3hb7 s HIS 58 Ca 0.33 1.42 0.05 0.00 -0.15 0.00 0.00 55.06 56.72 3hb7 s HIS 58 Cb 0.08 -3.05 -0.03 0.00 1.11 0.00 0.00 32.58 30.69 3hb7 s HIS 58 CO -0.16 -1.83 0.31 -0.98 -0.85 0.00 0.00 174.74 171.24 3hb7 s ARG 59 N -4.96 3.29 0.27 1.40 1.70 -1.26 0.36 118.95 119.75 3hb7 s ARG 59 Ca 0.61 -0.84 -0.03 0.00 -0.47 0.00 0.00 55.73 55.00 3hb7 s ARG 59 Cb -0.16 -2.80 0.37 0.00 -0.57 0.00 0.00 34.95 31.78 3hb7 s ARG 59 CO 0.56 0.43 1.93 1.57 -1.08 0.00 0.00 175.30 178.70 3hb7 h LYS 60 N 1.30 1.19 -0.96 3.89 2.10 -1.96 0.13 116.57 122.27 3hb7 h LYS 60 Ca -0.51 -0.07 -0.58 0.00 -2.00 0.00 0.00 60.65 57.49 3hb7 h LYS 60 Cb 1.23 -0.27 -0.29 0.00 -0.90 0.00 0.00 32.23 32.00 3hb7 h LYS 60 CO 0.61 0.79 0.67 0.27 -2.00 0.00 0.00 179.45 179.80 3hb7 n ASN 61 N -4.42 5.71 -4.77 7.07 0.23 -1.26 -5.00 115.26 112.81 3hb7 n ASN 61 Ca 0.12 -3.71 -0.41 0.00 -0.53 0.00 0.00 54.58 50.05 3hb7 n ASN 61 Cb 0.07 -0.88 -0.01 0.00 -2.08 0.00 0.00 39.78 36.87 3hb7 n ASN 61 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3hb7 s ASP 62 N -1.72 6.55 0.00 0.53 -1.08 0.45 -4.89 116.67 116.52 3hb7 s ASP 62 Ca 0.60 2.85 0.29 0.00 -0.52 0.00 0.00 52.55 55.77 3hb7 s ASP 62 Cb 0.49 -2.65 1.18 0.00 -1.46 0.00 0.00 42.92 40.48 3hb7 s ASP 62 CO 0.04 -0.72 1.83 0.00 0.52 0.00 0.00 175.17 176.84 3hb7 n ALA 63 N 1.00 2.78 -0.03 3.66 0.00 -1.26 -3.35 120.51 123.31 3hb7 n ALA 63 Ca 0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 53.44 53.13 3hb7 n ALA 63 Cb 0.40 -1.30 0.21 0.00 0.00 0.00 0.00 19.45 18.77 3hb7 n ALA 63 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3hb7 h ASP 64 N 0.84 0.58 0.17 0.00 3.45 -1.92 -3.14 116.42 116.39 3hb7 h ASP 64 Ca 0.00 -0.15 0.00 0.00 0.43 0.00 0.00 57.03 57.31 3hb7 h ASP 64 Cb 0.37 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 3hb7 h ASP 64 CO 0.00 0.72 0.00 -0.26 -1.57 0.00 0.00 179.24 178.13 3hb7 h PHE 65 N 0.55 0.00 -0.74 4.55 0.04 -1.75 3.33 116.94 122.92 3hb7 h PHE 65 Ca 0.10 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 3hb7 h PHE 65 Cb 0.52 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.63 3hb7 h PHE 65 CO 0.02 0.00 0.42 0.00 -0.60 0.00 0.00 178.31 178.15 3hb7 h ARG 66 N 0.00 1.03 -0.39 1.51 -0.00 -1.80 -2.33 114.38 112.40 3hb7 h ARG 66 Ca 0.00 -0.11 -0.14 0.00 -0.50 0.00 0.00 59.98 59.23 3hb7 h ARG 66 Cb 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 29.97 29.84 3hb7 h ARG 66 CO 0.00 0.75 -0.30 0.28 0.00 0.00 0.00 179.97 180.70 3hb7 h VAL 67 N 1.02 1.28 -4.42 2.04 2.07 0.60 -3.48 116.25 115.34 3hb7 h VAL 67 Ca 0.26 -1.46 -0.31 0.00 0.82 0.00 0.00 66.70 66.01 3hb7 h VAL 67 Cb 0.01 1.29 -0.11 0.00 -1.52 0.00 0.00 31.29 30.96 3hb7 h VAL 67 CO -0.04 0.49 -0.36 -0.13 0.02 0.00 0.00 177.57 177.54 3hb7 s ARG 68 N -4.50 1.69 0.47 1.57 3.00 -0.87 -5.13 118.95 115.17 3hb7 s ARG 68 Ca -0.10 -1.77 -0.23 0.00 0.00 0.00 0.00 55.73 53.63 3hb7 s ARG 68 Cb 0.12 0.37 -0.07 0.00 0.00 0.00 0.00 34.95 35.37 3hb7 s ARG 68 CO 0.86 -0.65 1.18 -2.14 0.00 0.00 0.00 175.30 174.55 3hb7 s PRO 69 N -3.48 3.70 0.26 3.54 0.02 -1.26 -4.33 135.00 133.44 3hb7 s PRO 69 Ca 0.35 1.82 -0.31 0.00 0.02 0.00 0.00 61.00 62.88 3hb7 s PRO 69 Cb 0.02 -2.40 -0.12 0.00 0.02 0.00 0.00 34.50 32.02 3hb7 s PRO 69 CO 0.20 -0.61 1.65 -0.11 -0.33 0.00 0.00 177.00 177.80 3hb7 n LEU 70 N -0.53 4.20 -3.53 -5.54 -0.00 -1.26 -4.90 117.00 105.43 3hb7 n LEU 70 Ca 0.08 1.11 -0.09 0.00 -0.00 0.00 0.00 56.01 57.11 3hb7 n LEU 70 Cb 0.48 -1.58 -0.02 0.00 -0.00 0.00 0.00 43.42 42.29 3hb7 n LEU 70 CO 0.48 0.16 0.61 -1.38 -0.00 0.00 0.00 177.39 177.26 3hb7 s HIS 71 N 0.49 -0.36 -1.33 1.96 -3.43 -1.26 -5.01 115.29 106.35 3hb7 s HIS 71 Ca 0.69 0.17 -0.01 0.00 -0.80 0.00 0.00 55.06 55.11 3hb7 s HIS 71 Cb -0.50 0.57 0.00 0.00 -1.43 0.00 0.00 32.58 31.22 3hb7 s HIS 71 CO 0.42 -0.70 0.67 0.00 -2.00 0.00 0.00 174.74 173.13 3hb7 n ALA 72 N -0.32 -1.98 -1.79 -1.38 0.00 -1.26 -4.61 120.51 109.17 3hb7 n ALA 72 Ca -0.10 -0.17 -0.40 0.00 0.00 0.00 0.00 53.44 52.77 3hb7 n ALA 72 Cb 0.62 -1.98 -0.06 0.00 0.00 0.00 0.00 19.45 18.04 3hb7 n ALA 72 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hb7 s VAL 73 N -3.70 4.04 0.28 0.00 1.01 -1.26 0.53 120.40 121.29 3hb7 s VAL 73 Ca 0.03 2.02 -0.30 0.00 0.00 0.00 0.00 61.98 63.73 3hb7 s VAL 73 Cb -0.02 -4.29 -0.12 0.00 0.00 0.00 0.00 36.38 31.96 3hb7 s VAL 73 CO 0.82 0.47 1.60 1.17 0.00 0.00 0.00 175.10 179.17 3hb7 n LYS 74 N 1.56 2.66 0.00 2.72 4.81 0.16 -1.96 118.16 128.11 3hb7 n LYS 74 Ca -0.02 0.95 0.00 0.00 -0.87 0.00 0.00 58.31 58.37 3hb7 n LYS 74 Cb 0.47 -2.73 0.00 0.00 0.02 0.00 0.00 35.03 32.79 3hb7 n LYS 74 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hb7 n GLY 75 N 2.41 2.56 3.86 3.14 0.00 -1.26 -4.98 105.19 110.93 3hb7 n GLY 75 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.18 3.77 0.24 2.61 -4.23 -0.83 -4.98 115.64 110.05 3hb7 s THR 76 Ca 0.00 0.57 -0.05 0.00 -1.18 0.00 0.00 61.69 61.03 3hb7 s THR 76 Cb 0.00 -3.51 0.16 0.00 1.34 0.00 0.00 72.50 70.49 3hb7 s THR 76 CO 0.00 -0.75 1.80 -0.25 -0.54 0.00 0.00 174.62 174.88 3hb7 h TRP 77 N -0.64 1.08 -0.75 3.99 2.91 -1.95 -2.84 115.95 117.74 3hb7 h TRP 77 Ca -0.45 -0.09 -0.02 0.00 1.13 0.00 0.00 58.89 59.47 3hb7 h TRP 77 Cb 1.24 -0.32 -0.04 0.00 -0.51 0.00 0.00 29.16 29.53 3hb7 h TRP 77 CO 0.54 0.84 0.39 0.78 -1.03 0.00 0.00 178.44 179.97 3hb7 h GLY 78 N 1.09 1.13 2.00 2.65 0.00 -1.93 -1.63 103.07 106.37 3hb7 h GLY 78 Ca 0.23 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 3hb7 h GLY 78 CO -0.01 0.49 -0.22 0.23 0.00 0.00 0.00 176.54 177.03 3hb7 h SER 79 N 1.06 0.00 -4.14 0.19 0.87 -1.69 -0.39 113.55 109.44 3hb7 h SER 79 Ca 0.26 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 60.33 3hb7 h SER 79 Cb 0.05 0.00 0.07 0.00 -0.44 0.00 0.00 62.40 62.08 3hb7 h SER 79 CO -0.04 0.22 0.39 -0.62 -0.53 0.00 0.00 176.83 176.25 3hb7 s ASP 80 N -6.26 5.76 0.42 6.23 2.15 -0.61 -4.75 116.67 119.61 3hb7 s ASP 80 Ca -0.01 1.97 -0.25 0.00 0.43 0.00 0.00 52.55 54.68 3hb7 s ASP 80 Cb 0.12 -2.55 -0.08 0.00 -0.30 0.00 0.00 42.92 40.10 3hb7 s ASP 80 CO 0.63 -1.19 1.27 -0.36 -0.17 0.00 0.00 175.17 175.36 3hb7 s PHE 81 N -2.16 2.83 0.68 -5.34 0.08 -1.26 -1.89 117.98 110.92 3hb7 s PHE 81 Ca 0.67 1.44 -0.15 0.00 0.12 0.00 0.00 56.93 59.01 3hb7 s PHE 81 Cb -0.19 -3.61 0.01 0.00 -0.57 0.00 0.00 43.02 38.67 3hb7 s PHE 81 CO 0.32 -1.96 1.16 0.96 -0.10 0.00 0.00 175.22 175.60 3hb7 s ILE 82 N -1.31 2.77 0.26 0.64 -4.36 -1.26 -4.76 121.20 113.19 3hb7 s ILE 82 Ca 0.58 0.38 -0.03 0.00 -0.26 0.00 0.00 60.65 61.33 3hb7 s ILE 82 Cb -0.36 -2.94 0.15 0.00 1.25 0.00 0.00 42.46 40.55 3hb7 s ILE 82 CO 0.46 -0.20 1.80 -0.65 0.24 0.00 0.00 174.94 176.59 3hb7 h PRO 83 N 0.01 0.90 -0.01 0.37 0.11 -1.99 -2.58 132.00 128.81 3hb7 h PRO 83 Ca -0.48 -0.19 -0.02 0.00 0.11 0.00 0.00 66.00 65.42 3hb7 h PRO 83 Cb 1.27 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3hb7 h PRO 83 CO 0.52 0.80 -0.11 0.93 -0.21 0.00 0.00 178.00 179.94 3hb7 h GLU 84 N 0.86 0.02 -0.53 1.05 3.07 -2.01 -2.92 114.58 114.12 3hb7 h GLU 84 Ca 0.19 -0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.67 3hb7 h GLU 84 Cb 0.31 -0.00 -0.27 0.00 -0.84 0.00 0.00 28.75 27.95 3hb7 h GLU 84 CO -0.00 0.12 -0.49 1.28 -1.40 0.00 0.00 179.01 178.52 3hb7 n LEU 85 N -4.41 4.51 -4.76 1.33 4.77 -0.99 -4.89 117.00 112.57 3hb7 n LEU 85 Ca -0.03 -4.37 -0.40 0.00 -0.03 0.00 0.00 56.01 51.19 3hb7 n LEU 85 Cb 0.18 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 40.74 3hb7 n LEU 85 CO 0.36 1.76 0.74 -0.47 -1.33 0.00 0.00 177.39 178.45 3hb7 s TYR 86 N -3.48 3.73 0.85 -1.77 6.14 -1.09 -4.75 117.35 116.98 3hb7 s TYR 86 Ca 0.48 1.78 -0.11 0.00 0.64 0.00 0.00 57.07 59.86 3hb7 s TYR 86 Cb 0.41 -3.17 0.10 0.00 0.42 0.00 0.00 41.96 39.72 3hb7 s TYR 86 CO 0.00 -0.18 1.09 -2.14 0.64 0.00 0.00 175.55 174.97 3hb7 s PRO 87 N -1.35 1.66 0.04 4.97 0.02 -1.26 -5.05 135.00 134.04 3hb7 s PRO 87 Ca 0.43 1.02 0.07 0.00 0.02 0.00 0.00 61.00 62.54 3hb7 s PRO 87 Cb -0.30 -1.84 -0.02 0.00 0.02 0.00 0.00 34.50 32.36 3hb7 s PRO 87 CO 0.38 -2.01 -0.21 -0.65 -0.33 0.00 0.00 177.00 174.17 3hb7 s GLN 88 N -4.90 1.43 0.00 5.54 -0.21 -1.26 -5.03 119.66 115.23 3hb7 s GLN 88 Ca 0.63 -0.94 0.00 0.00 0.02 0.00 0.00 55.36 55.06 3hb7 s GLN 88 Cb -0.18 -1.54 0.00 0.00 1.00 0.00 0.00 33.01 32.29 3hb7 s GLN 88 CO 0.57 0.40 0.00 -0.85 -2.12 0.00 0.00 175.29 173.28 3hb7 n GLU 89 N 1.87 0.00 -0.14 2.91 0.28 -1.26 -0.13 120.64 124.17 3hb7 n GLU 89 Ca -0.17 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 56.91 3hb7 n GLU 89 Cb 0.53 0.00 0.26 0.00 1.43 0.00 0.00 31.44 33.66 3hb7 n GLU 89 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3hb7 n ASP 90 N 0.00 1.86 -4.70 -1.84 10.43 -1.26 -4.85 116.55 116.19 3hb7 n ASP 90 Ca 0.00 -1.87 -0.42 0.00 2.57 0.00 0.00 54.79 55.07 3hb7 n ASP 90 Cb 0.00 -0.18 -0.03 0.00 1.84 0.00 0.00 41.12 42.75 3hb7 n ASP 90 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 3hb7 s GLU 91 N -1.63 4.43 0.35 -1.24 2.02 0.81 -4.98 118.70 118.45 3hb7 s GLU 91 Ca 0.28 1.57 -0.28 0.00 0.02 0.00 0.00 54.97 56.57 3hb7 s GLU 91 Cb 0.15 -3.49 -0.10 0.00 0.10 0.00 0.00 34.13 30.79 3hb7 s GLU 91 CO 0.21 -0.30 1.29 -0.47 0.02 0.00 0.00 175.26 176.01 3hb7 s TYR 92 N 1.71 3.03 -0.07 1.61 5.04 -1.25 -4.79 117.35 122.64 3hb7 s TYR 92 Ca 0.54 1.44 0.05 0.00 -2.44 0.00 0.00 57.07 56.65 3hb7 s TYR 92 Cb -0.23 -3.64 -0.01 0.00 0.35 0.00 0.00 41.96 38.42 3hb7 s TYR 92 CO 0.24 -1.80 -0.22 0.42 -1.34 0.00 0.00 175.55 172.85 3hb7 s ILE 93 N -1.18 2.33 -0.10 3.14 1.01 -1.26 -1.18 121.20 123.96 3hb7 s ILE 93 Ca 0.51 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 60.23 3hb7 s ILE 93 Cb -0.38 -1.88 0.00 0.00 0.01 0.00 0.00 42.46 40.21 3hb7 s ILE 93 CO 0.51 0.57 -0.24 -0.69 0.00 0.00 0.00 174.94 175.09 3hb7 s VAL 94 N -0.14 2.05 -0.17 2.92 1.01 0.88 -4.94 120.40 122.00 3hb7 s VAL 94 Ca -0.03 -1.01 -0.08 0.00 0.00 0.00 0.00 61.98 60.86 3hb7 s VAL 94 Cb -0.14 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 3hb7 s VAL 94 CO 0.04 0.56 0.08 -1.10 0.00 0.00 0.00 175.10 174.68 3hb7 s GLN 95 N 0.39 3.92 0.05 2.72 -0.21 -1.26 -1.44 119.66 123.83 3hb7 s GLN 95 Ca -0.18 -0.29 0.05 0.00 0.02 0.00 0.00 55.36 54.96 3hb7 s GLN 95 Cb -0.18 -3.24 -0.03 0.00 1.00 0.00 0.00 33.01 30.57 3hb7 s GLN 95 CO 0.08 0.36 -0.15 -1.59 -2.12 0.00 0.00 175.29 171.86 3hb7 s LYS 96 N 0.15 0.95 0.00 2.91 -2.85 -0.26 -4.87 119.74 115.78 3hb7 s LYS 96 Ca 0.06 -0.86 0.11 0.00 -1.00 0.00 0.00 55.97 54.28 3hb7 s LYS 96 Cb -0.12 -0.99 -0.02 0.00 -2.06 0.00 0.00 37.83 34.64 3hb7 s LYS 96 CO 0.00 0.24 0.63 0.54 0.10 0.00 0.00 175.35 176.86 3hb7 n ARG 97 N 1.65 2.26 -4.51 1.78 1.74 -1.26 -0.81 116.66 117.51 3hb7 n ARG 97 Ca -0.19 -0.53 -0.26 0.00 -0.77 0.00 0.00 57.85 56.10 3hb7 n ARG 97 Cb 0.54 -1.10 -0.08 0.00 -1.02 0.00 0.00 32.46 30.81 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 -1.54 1.99 0.11 5.56 1.81 -1.26 -4.91 118.95 120.71 3hb7 s ARG 98 Ca 0.08 -2.23 -0.19 0.00 -1.72 0.00 0.00 55.73 51.68 3hb7 s ARG 98 Cb 0.09 -0.47 -0.06 0.00 -0.45 0.00 0.00 34.95 34.06 3hb7 s ARG 98 CO 0.30 -0.56 1.71 0.45 -0.68 0.00 0.00 175.30 176.52 3hb7 h HIS 99 N 1.74 0.33 -3.80 -0.53 3.86 -1.95 -3.43 115.15 111.37 3hb7 h HIS 99 Ca -0.33 -0.01 -0.50 0.00 -1.16 0.00 0.00 60.37 58.38 3hb7 h HIS 99 Cb 1.27 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.64 3hb7 h HIS 99 CO 1.75 0.30 0.42 0.45 0.86 0.00 0.00 177.93 181.71 3hb7 s SER 100 N -5.54 7.38 0.46 2.45 0.15 -1.26 -4.58 113.70 112.76 3hb7 s SER 100 Ca -0.13 2.12 0.13 0.00 0.70 0.00 0.00 55.95 58.77 3hb7 s SER 100 Cb 0.08 -2.62 1.06 0.00 -1.71 0.00 0.00 66.02 62.83 3hb7 s SER 100 CO 0.71 -0.05 2.07 1.23 1.20 0.00 0.00 173.24 178.40 3hb7 h GLY 101 N 3.83 0.18 2.00 9.45 0.00 -1.84 -2.31 103.07 114.38 3hb7 h GLY 101 Ca -0.46 -0.08 -0.10 0.00 0.00 0.00 0.00 47.33 46.69 3hb7 h GLY 101 CO 0.67 0.07 -0.50 0.74 0.00 0.00 0.00 176.54 177.53 3hb7 h PHE 102 N 0.17 0.00 -3.35 5.60 0.04 -1.92 -3.42 116.94 114.06 3hb7 h PHE 102 Ca 0.04 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.25 3hb7 h PHE 102 Cb 0.09 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.18 3hb7 h PHE 102 CO 0.00 0.50 1.00 0.00 -0.60 0.00 0.00 178.31 179.20 3hb7 s ALA 103 N -3.39 3.19 -1.15 2.45 0.00 -0.87 -2.78 121.76 119.20 3hb7 s ALA 103 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.81 3hb7 s ALA 103 Cb 0.10 -3.87 0.00 0.00 0.00 0.00 0.00 23.12 19.36 3hb7 s ALA 103 CO 0.72 -2.13 0.00 0.72 0.00 0.00 0.00 175.76 175.07 3hb7 n HIS 104 N 8.13 -0.41 -4.70 0.00 8.25 -1.26 -4.68 115.22 120.55 3hb7 n HIS 104 Ca 0.15 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.28 3hb7 n HIS 104 Cb 0.48 -2.63 -0.07 0.00 1.12 0.00 0.00 29.99 28.88 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 -2.58 1.24 -0.92 1.59 -4.23 -1.12 -4.98 115.64 104.64 3hb7 s THR 105 Ca 0.00 -1.97 0.17 0.00 -1.18 0.00 0.00 61.69 58.72 3hb7 s THR 105 Cb 0.00 -2.21 0.74 0.00 1.34 0.00 0.00 72.50 72.38 3hb7 s THR 105 CO 0.00 0.00 1.66 -0.90 -0.54 0.00 0.00 174.62 174.84 3hb7 n ASP 106 N -1.28 4.99 -0.16 3.99 3.85 -1.26 -4.65 116.55 122.02 3hb7 n ASP 106 Ca -0.17 -2.56 -0.08 0.00 -0.71 0.00 0.00 54.79 51.26 3hb7 n ASP 106 Cb 0.67 -0.60 0.01 0.00 -1.35 0.00 0.00 41.12 39.84 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 4.05 0.65 -0.78 -2.12 5.85 -1.88 -1.57 115.31 119.50 3hb7 h LEU 107 Ca 0.00 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 3hb7 h LEU 107 Cb 1.57 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.40 3hb7 h LEU 107 CO 0.29 0.64 0.43 -0.78 -0.34 0.00 0.00 178.44 178.68 3hb7 h ASP 108 N 0.62 0.98 -0.75 1.25 3.58 -1.90 -1.27 116.42 118.92 3hb7 h ASP 108 Ca 0.16 -0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.47 3hb7 h ASP 108 Cb 0.19 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 3hb7 h ASP 108 CO -0.01 0.80 0.31 0.25 -2.88 0.00 0.00 179.24 177.71 3hb7 h LEU 109 N 1.08 1.02 -0.34 2.28 5.85 -1.83 -1.14 115.31 122.24 3hb7 h LEU 109 Ca 0.27 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3hb7 h LEU 109 Cb 0.04 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 3hb7 h LEU 109 CO -0.04 0.90 0.17 0.22 -0.34 0.00 0.00 178.44 179.34 3hb7 h TYR 110 N 1.07 0.48 -0.80 1.25 3.20 -0.71 0.31 116.97 121.77 3hb7 h TYR 110 Ca 0.25 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 3hb7 h TYR 110 Cb 0.19 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 3hb7 h TYR 110 CO 0.02 0.41 0.38 -0.07 -1.64 0.00 0.00 178.16 177.26 3hb7 h LEU 111 N 0.41 1.05 -0.21 2.82 4.07 -1.01 -1.73 115.31 120.71 3hb7 h LEU 111 Ca 0.12 -0.14 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 3hb7 h LEU 111 Cb 0.10 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.56 3hb7 h LEU 111 CO -0.02 0.89 0.08 0.11 -1.08 0.00 0.00 178.44 178.43 3hb7 h LYS 112 N 1.14 0.32 -0.76 1.13 1.57 -0.92 -1.28 116.57 117.77 3hb7 h LYS 112 Ca 0.28 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 3hb7 h LYS 112 Cb 0.12 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 3hb7 h LYS 112 CO -0.03 0.39 0.51 0.93 -0.57 0.00 0.00 179.45 180.67 3hb7 h GLU 113 N 0.19 1.00 -0.24 3.15 5.08 -0.57 -1.22 114.58 121.97 3hb7 h GLU 113 Ca 0.07 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3hb7 h GLU 113 Cb 0.19 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3hb7 h GLU 113 CO -0.01 0.66 0.00 0.39 -1.00 0.00 0.00 179.01 179.06 3hb7 n GLU 114 N -4.42 1.82 -3.51 2.33 -0.58 -0.68 -4.93 120.64 110.66 3hb7 n GLU 114 Ca 0.08 -1.24 -0.25 0.00 -0.42 0.00 0.00 57.16 55.33 3hb7 n GLU 114 Cb 0.03 -1.37 0.05 0.00 -0.57 0.00 0.00 31.44 29.58 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 1.14 -0.53 3.76 0.62 0.00 -0.46 -4.97 105.19 104.75 3hb7 n GLY 115 Ca 0.15 0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.25 4.91 -0.21 -0.61 1.01 -0.53 -4.68 121.20 117.84 3hb7 s ILE 116 Ca 0.52 1.28 0.15 0.00 0.00 0.00 0.00 60.65 62.60 3hb7 s ILE 116 Cb -0.24 -3.95 -0.22 0.00 0.01 0.00 0.00 42.46 38.06 3hb7 s ILE 116 CO 0.65 0.40 0.42 -0.90 0.00 0.00 0.00 174.94 175.51 3hb7 n ASP 117 N 2.82 1.27 -4.02 3.58 5.75 -0.90 -4.79 116.55 120.26 3hb7 n ASP 117 Ca -0.06 -0.24 -0.19 0.00 -0.01 0.00 0.00 54.79 54.29 3hb7 n ASP 117 Cb 0.51 1.50 -0.15 0.00 -1.03 0.00 0.00 41.12 41.95 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 -2.88 0.74 -0.07 2.12 2.01 -1.17 -1.75 115.64 114.65 3hb7 s THR 118 Ca -0.02 -0.38 0.04 0.00 0.31 0.00 0.00 61.69 61.64 3hb7 s THR 118 Cb 0.10 -0.64 -0.02 0.00 0.01 0.00 0.00 72.50 71.96 3hb7 s THR 118 CO 0.63 0.22 -0.20 0.68 -0.69 0.00 0.00 174.62 175.26 3hb7 s VAL 119 N -0.07 2.50 -0.09 3.82 -7.23 -0.38 -1.23 120.40 117.72 3hb7 s VAL 119 Ca 0.01 -0.91 0.04 0.00 -1.81 0.00 0.00 61.98 59.32 3hb7 s VAL 119 Cb -0.05 -1.95 -0.01 0.00 0.56 0.00 0.00 36.38 34.93 3hb7 s VAL 119 CO -0.00 0.57 -0.22 0.54 -0.31 0.00 0.00 175.10 175.67 3hb7 s VAL 120 N -0.23 2.25 -0.16 1.32 0.11 0.18 -1.22 120.40 122.65 3hb7 s VAL 120 Ca -0.01 -0.97 -0.12 0.00 -2.93 0.00 0.00 61.98 57.95 3hb7 s VAL 120 Cb -0.13 -1.86 -0.05 0.00 -1.53 0.00 0.00 36.38 32.81 3hb7 s VAL 120 CO 0.03 0.56 0.25 -0.76 -3.33 0.00 0.00 175.10 171.85 3hb7 s LEU 121 N 0.14 4.25 0.09 2.54 1.02 0.12 -0.71 118.68 126.13 3hb7 s LEU 121 Ca -0.12 0.45 0.01 0.00 0.02 0.00 0.00 54.13 54.49 3hb7 s LEU 121 Cb -0.16 -2.29 -0.04 0.00 0.02 0.00 0.00 46.19 43.72 3hb7 s LEU 121 CO 0.06 0.14 -0.04 0.42 0.02 0.00 0.00 176.35 176.96 3hb7 s THR 122 N 0.31 0.51 0.00 5.49 -4.23 -0.58 -2.43 115.64 114.71 3hb7 s THR 122 Ca 0.14 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 3hb7 s THR 122 Cb -0.13 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 72.03 3hb7 s THR 122 CO 0.03 -0.86 0.00 0.61 -0.54 0.00 0.00 174.62 173.86 3hb7 n GLY 123 N -0.01 -0.90 3.13 3.99 0.00 -0.31 -1.67 105.19 109.41 3hb7 n GLY 123 Ca -0.12 -2.08 -0.09 0.00 0.00 0.00 0.00 46.02 43.74 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 0.31 0.27 1.61 -7.23 -0.84 -2.12 120.40 112.39 3hb7 s VAL 124 Ca 0.00 -1.87 -0.15 0.00 -1.81 0.00 0.00 61.98 58.15 3hb7 s VAL 124 Cb 0.00 -1.71 -0.08 0.00 0.56 0.00 0.00 36.38 35.15 3hb7 s VAL 124 CO 0.00 -0.82 0.68 0.26 -0.31 0.00 0.00 175.10 174.91 3hb7 s TRP 125 N -3.88 3.47 0.28 2.82 0.52 -1.26 -4.41 118.94 116.48 3hb7 s TRP 125 Ca 0.13 1.18 -0.03 0.00 0.02 0.00 0.00 56.10 57.40 3hb7 s TRP 125 Cb 0.07 -2.49 0.39 0.00 -1.15 0.00 0.00 33.47 30.30 3hb7 s TRP 125 CO -0.05 0.21 1.94 1.15 0.02 0.00 0.00 176.95 180.22 3hb7 h THR 126 N 2.23 1.20 -0.16 2.01 2.02 -1.42 -1.60 112.91 117.19 3hb7 h THR 126 Ca -0.48 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.29 3hb7 h THR 126 Cb 1.18 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 3hb7 h THR 126 CO 0.66 0.22 0.00 -0.46 0.37 0.00 0.00 175.52 176.31 3hb7 n ASN 127 N -4.42 2.85 0.00 4.18 2.04 -1.26 -2.68 115.26 115.97 3hb7 n ASN 127 Ca 0.11 -1.91 0.00 0.00 -0.44 0.00 0.00 54.58 52.34 3hb7 n ASN 127 Cb 0.06 -0.09 0.00 0.00 -2.53 0.00 0.00 39.78 37.21 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 1.16 0.00 -0.15 3.53 0.31 -0.67 -4.72 118.33 117.79 3hb7 n VAL 128 Ca 0.17 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.47 3hb7 n VAL 128 Cb 0.55 0.00 0.18 0.00 -0.91 0.00 0.00 33.84 33.66 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 0.85 1.23 -0.60 0.00 2.07 -1.58 -1.98 116.25 116.24 3hb7 h VAL 130 Ca 0.19 -0.81 -0.05 0.00 0.82 0.00 0.00 66.70 66.85 3hb7 h VAL 130 Cb 0.27 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3hb7 h VAL 130 CO -0.01 0.28 0.17 -0.09 0.02 0.00 0.00 177.57 177.94 3hb7 h ARG 131 N 0.51 0.94 -0.75 1.57 2.43 -1.30 -2.37 114.38 115.42 3hb7 h ARG 131 Ca 0.12 -0.22 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 3hb7 h ARG 131 Cb 0.33 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 3hb7 h ARG 131 CO 0.00 0.86 0.27 0.77 -1.51 0.00 0.00 179.97 180.36 3hb7 h SER 132 N 0.86 1.04 -0.78 -3.80 0.02 -1.11 -1.36 113.55 108.43 3hb7 h SER 132 Ca 0.19 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 3hb7 h SER 132 Cb 0.32 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 3hb7 h SER 132 CO -0.00 0.94 0.32 0.74 -1.14 0.00 0.00 176.83 177.68 3hb7 h THR 133 N 1.09 1.26 -0.36 -2.27 2.02 -1.16 -1.88 112.91 111.62 3hb7 h THR 133 Ca 0.25 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 3hb7 h THR 133 Cb 0.24 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 3hb7 h THR 133 CO -0.02 0.33 0.18 0.00 0.37 0.00 0.00 175.52 176.38 3hb7 h ALA 134 N 1.17 0.46 -0.39 6.16 0.00 -0.91 -0.82 119.26 124.92 3hb7 h ALA 134 Ca 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3hb7 h ALA 134 Cb 0.21 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3hb7 h ALA 134 CO -0.02 0.00 0.20 1.15 0.00 0.00 0.00 179.25 180.58 3hb7 h THR 135 N 0.44 1.16 -0.51 0.00 2.02 -0.98 -2.04 112.91 112.99 3hb7 h THR 135 Ca 0.12 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 3hb7 h THR 135 Cb 0.09 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 3hb7 h THR 135 CO -0.02 0.17 0.15 0.44 0.37 0.00 0.00 175.52 176.63 3hb7 h ASP 136 N 0.50 0.71 -0.51 4.18 5.19 -1.20 -1.83 116.42 123.46 3hb7 h ASP 136 Ca 0.14 -0.11 -0.04 0.00 -0.62 0.00 0.00 57.03 56.39 3hb7 h ASP 136 Cb 0.08 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.39 3hb7 h ASP 136 CO -0.02 0.68 0.14 0.00 -3.12 0.00 0.00 179.24 176.92 3hb7 h ALA 137 N 1.42 0.67 -0.69 3.45 0.00 -0.66 -2.39 119.26 121.06 3hb7 h ALA 137 Ca 0.17 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3hb7 h ALA 137 Cb 0.23 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3hb7 h ALA 137 CO -0.01 0.35 0.33 1.25 0.00 0.00 0.00 179.25 181.16 3hb7 h LEU 138 N 0.70 0.91 -2.08 0.00 6.46 -1.23 -1.47 115.31 118.60 3hb7 h LEU 138 Ca 0.16 -0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.77 3hb7 h LEU 138 Cb 0.30 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 39.99 3hb7 h LEU 138 CO -0.00 0.80 -0.07 0.00 -0.62 0.00 0.00 178.44 178.54 3hb7 h ALA 139 N 1.15 1.55 -0.63 1.25 0.00 -1.03 -0.24 119.26 121.31 3hb7 h ALA 139 Ca 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hb7 h ALA 139 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hb7 h ALA 139 CO -0.03 0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.40 3hb7 n ASN 140 N -3.97 5.01 -0.25 0.00 3.02 -0.93 -4.94 115.26 113.22 3hb7 n ASN 140 Ca -0.03 -2.58 -0.03 0.00 -0.03 0.00 0.00 54.58 51.92 3hb7 n ASN 140 Cb 0.16 -0.61 -0.01 0.00 -0.61 0.00 0.00 39.78 38.71 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 0.99 -0.05 -2.01 5.41 0.00 -0.10 -5.02 120.51 119.72 3hb7 n ALA 141 Ca 0.26 0.05 -0.35 0.00 0.00 0.00 0.00 53.44 53.41 3hb7 n ALA 141 Cb 0.97 -0.70 -0.06 0.00 0.00 0.00 0.00 19.45 19.66 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 -2.08 3.52 0.41 0.00 2.02 -0.60 -5.00 117.35 115.62 3hb7 s TYR 142 Ca 0.00 1.44 -0.24 0.00 -0.37 0.00 0.00 57.07 57.90 3hb7 s TYR 142 Cb 0.00 -2.68 -0.09 0.00 -0.40 0.00 0.00 41.96 38.79 3hb7 s TYR 142 CO 0.00 0.17 1.08 0.15 -1.57 0.00 0.00 175.55 175.38 3hb7 s LYS 143 N -2.47 4.08 -0.08 -0.62 1.02 -0.71 -4.17 119.74 116.78 3hb7 s LYS 143 Ca 0.50 1.58 0.03 0.00 0.02 0.00 0.00 55.97 58.10 3hb7 s LYS 143 Cb -0.14 -2.52 0.01 0.00 -0.52 0.00 0.00 37.83 34.66 3hb7 s LYS 143 CO 0.19 -0.23 -0.16 0.08 -0.92 0.00 0.00 175.35 174.31 3hb7 s VAL 144 N -1.63 1.47 -0.06 3.17 1.01 -1.26 -1.25 120.40 121.85 3hb7 s VAL 144 Ca 0.59 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.95 3hb7 s VAL 144 Cb -0.24 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 3hb7 s VAL 144 CO 0.29 0.43 -0.25 -0.63 0.00 0.00 0.00 175.10 174.95 3hb7 s ILE 145 N 0.55 2.03 -0.12 2.22 1.01 -0.36 -1.69 121.20 124.84 3hb7 s ILE 145 Ca -0.16 -1.05 0.01 0.00 0.00 0.00 0.00 60.65 59.45 3hb7 s ILE 145 Cb -0.17 -1.72 -0.01 0.00 0.01 0.00 0.00 42.46 40.57 3hb7 s ILE 145 CO 0.06 0.56 -0.15 -0.89 0.00 0.00 0.00 174.94 174.51 3hb7 s THR 146 N -0.08 2.84 -0.40 2.92 2.01 0.12 0.12 115.64 123.17 3hb7 s THR 146 Ca -0.06 -0.74 -0.19 0.00 0.31 0.00 0.00 61.69 61.01 3hb7 s THR 146 Cb -0.14 -2.17 0.01 0.00 0.01 0.00 0.00 72.50 70.21 3hb7 s THR 146 CO 0.04 0.53 0.54 -0.76 -0.69 0.00 0.00 174.62 174.28 3hb7 s LEU 147 N 0.32 4.54 0.28 4.42 1.02 -1.02 -4.22 118.68 124.02 3hb7 s LEU 147 Ca -0.12 -0.32 -0.02 0.00 0.02 0.00 0.00 54.13 53.69 3hb7 s LEU 147 Cb -0.16 -2.58 0.38 0.00 0.02 0.00 0.00 46.19 43.85 3hb7 s LEU 147 CO 0.06 -0.61 1.86 0.77 0.02 0.00 0.00 176.35 178.45 3hb7 h SER 148 N 8.68 0.87 -0.58 2.29 4.64 -1.89 -1.77 113.55 125.79 3hb7 h SER 148 Ca -0.27 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3hb7 h SER 148 Cb 1.11 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 3hb7 h SER 148 CO 0.82 0.77 0.00 -0.90 -0.87 0.00 0.00 176.83 176.65 3hb7 n ASP 149 N -4.32 3.55 -0.93 4.97 5.75 -1.26 -3.85 116.55 120.47 3hb7 n ASP 149 Ca 0.06 -2.00 0.09 0.00 -0.01 0.00 0.00 54.79 52.93 3hb7 n ASP 149 Cb 0.16 -0.39 0.18 0.00 -1.03 0.00 0.00 41.12 40.05 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 1.20 1.75 3.18 6.12 0.00 -0.71 -4.80 105.19 111.94 3hb7 n GLY 150 Ca 0.19 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.21 0.83 0.25 2.61 -4.23 -0.94 -1.16 115.64 111.78 3hb7 s THR 151 Ca 0.32 -1.84 -0.20 0.00 -1.18 0.00 0.00 61.69 58.78 3hb7 s THR 151 Cb 0.18 -1.57 0.03 0.00 1.34 0.00 0.00 72.50 72.47 3hb7 s THR 151 CO 0.25 -0.75 0.66 0.00 -0.54 0.00 0.00 174.62 174.24 3hb7 s ALA 152 N -3.16 -1.17 0.21 3.99 0.00 -0.90 -4.94 121.76 115.79 3hb7 s ALA 152 Ca 0.10 -0.22 0.05 0.00 0.00 0.00 0.00 51.96 51.88 3hb7 s ALA 152 Cb 0.02 0.88 -0.02 0.00 0.00 0.00 0.00 23.12 24.00 3hb7 s ALA 152 CO -0.02 -0.96 0.18 0.45 0.00 0.00 0.00 175.76 175.41 3hb7 n SER 153 N -0.43 -0.46 -0.16 0.00 2.88 -1.26 -1.29 113.62 112.90 3hb7 n SER 153 Ca -0.06 -2.41 -0.08 0.00 -1.33 0.00 0.00 58.87 54.98 3hb7 n SER 153 Cb 0.61 1.08 0.01 0.00 -0.75 0.00 0.00 64.21 65.16 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 0.68 -5.93 -1.46 3.64 -1.92 -3.28 116.57 108.31 3hb7 h LYS 154 Ca -0.15 -0.11 -0.52 0.00 -1.27 0.00 0.00 60.65 58.60 3hb7 h LYS 154 Cb 0.77 -0.12 -0.19 0.00 -0.41 0.00 0.00 32.23 32.29 3hb7 h LYS 154 CO 0.22 0.60 -0.79 0.95 -2.27 0.00 0.00 179.45 178.16 3hb7 s THR 155 N -5.62 1.76 0.40 1.00 -4.23 -1.26 -4.29 115.64 103.39 3hb7 s THR 155 Ca -0.13 -1.83 0.10 0.00 -1.18 0.00 0.00 61.69 58.65 3hb7 s THR 155 Cb 0.11 -1.77 0.17 0.00 1.34 0.00 0.00 72.50 72.36 3hb7 s THR 155 CO 0.76 -0.28 1.95 -0.33 -0.54 0.00 0.00 174.62 176.18 3hb7 h GLU 156 N 3.42 0.23 -1.15 3.99 5.08 -2.02 -2.10 114.58 122.01 3hb7 h GLU 156 Ca -0.43 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3hb7 h GLU 156 Cb 1.20 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3hb7 h GLU 156 CO 0.49 0.34 0.00 0.39 -1.00 0.00 0.00 179.01 179.23 3hb7 n GLU 157 N -4.31 0.18 0.00 2.33 1.02 -1.26 -1.74 120.64 116.87 3hb7 n GLU 157 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3hb7 n GLU 157 Cb 0.24 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 3hb7 n GLU 157 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 3hb7 n HIS 159 N 0.71 0.00 -0.10 -0.32 -0.00 -0.79 -2.48 115.22 112.24 3hb7 n HIS 159 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.61 3hb7 n HIS 159 Cb 0.07 0.00 -0.04 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 0.49 -0.30 1.57 4.57 -1.63 -1.37 114.58 117.92 3hb7 h GLU 160 Ca 0.00 -0.15 -0.06 0.00 -1.18 0.00 0.00 59.36 57.96 3hb7 h GLU 160 Cb 0.00 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 3hb7 h GLU 160 CO 0.00 0.64 -0.09 0.10 -1.18 0.00 0.00 179.01 178.48 3hb7 h TYR 161 N 0.29 0.52 -0.54 0.92 -0.00 -1.77 -1.93 116.97 114.46 3hb7 h TYR 161 Ca 0.08 -0.07 -0.00 0.00 0.00 0.00 0.00 58.73 58.73 3hb7 h TYR 161 Cb 0.42 -0.14 -0.03 0.00 0.00 0.00 0.00 36.73 36.98 3hb7 h TYR 161 CO 0.03 0.58 0.32 0.78 -0.00 0.00 0.00 178.16 179.87 3hb7 h GLY 162 N 0.89 0.79 1.56 0.10 0.00 -1.78 0.30 103.07 104.94 3hb7 h GLY 162 Ca 0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 3hb7 h GLY 162 CO 0.02 0.33 0.18 1.41 0.00 0.00 0.00 176.54 178.48 3hb7 h LEU 163 N 0.73 0.51 -0.44 3.11 3.38 -1.04 -0.35 115.31 121.22 3hb7 h LEU 163 Ca 0.19 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3hb7 h LEU 163 Cb 0.00 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3hb7 h LEU 163 CO -0.03 0.46 0.10 -1.13 0.09 0.00 0.00 178.44 177.92 3hb7 h ASN 164 N 0.58 0.67 -0.75 -0.43 -0.73 -0.19 -0.67 115.58 114.06 3hb7 h ASN 164 Ca 0.14 -0.24 -0.04 0.00 1.87 0.00 0.00 56.30 58.04 3hb7 h ASN 164 Cb 0.09 -0.18 -0.03 0.00 0.27 0.00 0.00 38.32 38.47 3hb7 h ASN 164 CO -0.02 0.73 0.31 0.44 -0.37 0.00 0.00 177.43 178.52 3hb7 h ASP 165 N 0.58 1.02 -0.47 1.15 3.32 -0.68 -3.02 116.42 118.32 3hb7 h ASP 165 Ca 0.14 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 3hb7 h ASP 165 Cb 0.33 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3hb7 h ASP 165 CO 0.00 0.91 0.15 -0.07 -1.72 0.00 0.00 179.24 178.51 3hb7 h LEU 166 N 1.07 0.72 -2.05 1.55 3.38 -0.63 -1.84 115.31 117.52 3hb7 h LEU 166 Ca 0.25 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3hb7 h LEU 166 Cb 0.20 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3hb7 h LEU 166 CO -0.02 0.69 -0.02 0.77 0.09 0.00 0.00 178.44 179.95 3hb7 h SER 167 N 0.76 0.00 -0.75 -0.43 4.64 -1.00 0.18 113.55 116.94 3hb7 h SER 167 Ca 0.17 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.44 3hb7 h SER 167 Cb 0.24 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 3hb7 h SER 167 CO -0.01 0.02 0.25 0.40 -0.87 0.00 0.00 176.83 176.63 3hb7 h ILE 168 N 0.00 1.26 0.00 0.95 2.04 -1.34 -3.35 117.51 117.07 3hb7 h ILE 168 Ca -0.00 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 64.97 3hb7 h ILE 168 Cb 0.32 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3hb7 h ILE 168 CO 0.00 0.35 -0.04 2.22 0.00 0.00 0.00 178.15 180.69 3hb7 n PHE 169 N -4.27 0.00 -4.12 1.37 1.16 -0.81 -5.08 117.46 105.72 3hb7 n PHE 169 Ca 0.06 -0.30 -0.09 0.00 -1.87 0.00 0.00 57.45 55.25 3hb7 n PHE 169 Cb 0.22 -0.04 -0.10 0.00 -1.61 0.00 0.00 39.48 37.95 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 -0.68 0.41 -0.02 1.97 -4.23 0.56 -4.82 115.64 108.84 3hb7 s THR 170 Ca 0.03 -1.84 -0.30 0.00 -1.18 0.00 0.00 61.69 58.40 3hb7 s THR 170 Cb 0.02 -1.55 -0.03 0.00 1.34 0.00 0.00 72.50 72.28 3hb7 s THR 170 CO 0.00 -0.93 1.11 -0.75 -0.54 0.00 0.00 174.62 173.51 3hb7 s LYS 171 N -3.81 4.44 0.02 3.99 2.47 -0.68 -4.40 119.74 121.75 3hb7 s LYS 171 Ca 0.08 1.59 0.04 0.00 -1.56 0.00 0.00 55.97 56.13 3hb7 s LYS 171 Cb 0.06 -3.48 -0.03 0.00 -1.46 0.00 0.00 37.83 32.92 3hb7 s LYS 171 CO -0.08 -0.28 -0.10 0.08 0.16 0.00 0.00 175.35 175.14 3hb7 s VAL 172 N 1.58 3.39 0.37 4.02 1.01 -1.26 0.12 120.40 129.63 3hb7 s VAL 172 Ca 0.54 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.69 3hb7 s VAL 172 Cb -0.24 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 3hb7 s VAL 172 CO 0.25 0.37 0.35 0.42 0.00 0.00 0.00 175.10 176.49 3hb7 s THR 174 N -0.98 3.23 0.11 3.92 -4.23 -1.26 -4.95 115.64 111.47 3hb7 s THR 174 Ca 0.17 -1.31 -0.19 0.00 -1.18 0.00 0.00 61.69 59.18 3hb7 s THR 174 Cb -0.11 -3.12 -0.06 0.00 1.34 0.00 0.00 72.50 70.55 3hb7 s THR 174 CO 0.07 -0.10 1.65 0.58 -0.54 0.00 0.00 174.62 176.29 3hb7 h VAL 175 N 1.10 1.17 -0.75 2.29 2.07 -1.93 -1.39 116.25 118.81 3hb7 h VAL 175 Ca -0.43 -0.50 -0.06 0.00 0.82 0.00 0.00 66.70 66.53 3hb7 h VAL 175 Cb 1.26 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 3hb7 h VAL 175 CO 0.57 0.17 0.25 0.44 0.02 0.00 0.00 177.57 179.01 3hb7 h ASP 176 N 0.27 1.09 -0.74 0.57 3.32 -1.98 -1.90 116.42 117.04 3hb7 h ASP 176 Ca 0.09 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 3hb7 h ASP 176 Cb 0.17 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 3hb7 h ASP 176 CO -0.01 1.00 0.28 1.56 -1.72 0.00 0.00 179.24 180.36 3hb7 h GLN 177 N 1.12 1.12 -0.52 3.56 4.20 -1.94 -0.58 115.11 122.07 3hb7 h GLN 177 Ca 0.24 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 3hb7 h GLN 177 Cb 0.29 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 3hb7 h GLN 177 CO -0.01 0.93 0.15 -0.92 -0.67 0.00 0.00 178.83 178.30 3hb7 h TYR 178 N 1.08 0.85 -0.71 2.96 3.20 -0.93 -1.30 116.97 122.11 3hb7 h TYR 178 Ca 0.25 -0.09 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 3hb7 h TYR 178 Cb 0.23 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 3hb7 h TYR 178 CO 0.02 0.74 0.21 0.82 -1.64 0.00 0.00 178.16 178.31 3hb7 h ILE 179 N 0.72 1.26 -0.79 1.81 2.04 -1.20 -2.87 117.51 118.48 3hb7 h ILE 179 Ca 0.17 -0.90 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 3hb7 h ILE 179 Cb 0.30 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 3hb7 h ILE 179 CO -0.00 0.35 0.32 -0.61 0.00 0.00 0.00 178.15 178.20 3hb7 h GLN 180 N 1.05 1.17 0.00 2.37 4.15 -0.78 -2.86 115.11 120.22 3hb7 h GLN 180 Ca 0.23 -0.21 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 3hb7 h GLN 180 Cb 0.31 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.81 3hb7 h GLN 180 CO -0.01 0.95 -0.02 0.00 -1.93 0.00 0.00 178.83 177.82 3hb7 h ALA 181 N 1.20 1.32 -0.01 3.38 0.00 -1.01 0.11 119.26 124.25 3hb7 h ALA 181 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3hb7 h ALA 181 Cb 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3hb7 h ALA 181 CO -0.02 0.02 0.00 0.91 0.00 0.00 0.00 179.25 180.16 3hb7 n TRP 182 N -3.58 0.01 -0.25 0.00 7.02 -1.08 -5.12 117.44 114.45 3hb7 n TRP 182 Ca -0.03 -0.01 0.00 0.00 -1.02 0.00 0.00 57.50 56.45 3hb7 n TRP 182 Cb 0.11 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.00 3hb7 n TRP 182 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06