#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fl9 s ILE 2 N 0.00 4.97 -0.38 3.17 1.01 -0.40 -5.00 121.20 124.58 3fl9 s ILE 2 Ca 0.00 1.30 -0.12 0.00 0.00 0.00 0.00 60.65 61.83 3fl9 s ILE 2 Cb 0.00 -3.99 0.02 0.00 0.01 0.00 0.00 42.46 38.50 3fl9 s ILE 2 CO 0.00 0.07 0.22 -0.69 0.00 0.00 0.00 174.94 174.54 3fl9 s VAL 3 N 2.09 4.72 -0.05 2.92 1.01 -1.26 -0.92 120.40 128.91 3fl9 s VAL 3 Ca 0.31 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.55 3fl9 s VAL 3 Cb -0.16 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 3fl9 s VAL 3 CO 0.10 -0.23 -0.19 -0.44 0.00 0.00 0.00 175.10 174.34 3fl9 s SER 4 N 1.58 2.39 0.04 3.32 0.01 0.12 0.44 113.70 121.60 3fl9 s SER 4 Ca 0.03 -0.39 -0.28 0.00 1.31 0.00 0.00 55.95 56.62 3fl9 s SER 4 Cb -0.19 -0.67 -0.05 0.00 0.21 0.00 0.00 66.02 65.32 3fl9 s SER 4 CO 0.07 0.17 0.87 -0.36 0.41 0.00 0.00 173.24 174.41 3fl9 s PHE 5 N 0.00 3.72 -0.37 2.43 0.40 -0.74 -0.65 117.98 122.77 3fl9 s PHE 5 Ca -0.04 1.61 -0.04 0.00 -0.60 0.00 0.00 56.93 57.86 3fl9 s PHE 5 Cb -0.12 -2.97 0.08 0.00 0.51 0.00 0.00 43.02 40.52 3fl9 s PHE 5 CO 0.03 0.16 0.15 1.41 0.70 0.00 0.00 175.22 177.66 3fl9 s MET 6 N 0.34 2.29 -0.07 0.44 1.75 -0.01 -1.27 119.30 122.77 3fl9 s MET 6 Ca 0.44 -1.54 0.01 0.00 -1.25 0.00 0.00 55.69 53.35 3fl9 s MET 6 Cb -0.21 -3.50 0.02 0.00 2.84 0.00 0.00 34.83 33.98 3fl9 s MET 6 CO 0.26 -0.89 -0.06 0.54 -0.65 0.00 0.00 175.02 174.22 3fl9 s VAL 7 N 1.25 0.72 -0.18 10.11 0.11 -0.77 -4.55 120.40 127.09 3fl9 s VAL 7 Ca 0.03 -0.18 -0.14 0.00 -2.93 0.00 0.00 61.98 58.76 3fl9 s VAL 7 Cb -0.22 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 3fl9 s VAL 7 CO -0.02 0.29 0.31 0.00 -3.33 0.00 0.00 175.10 172.35 3fl9 s ALA 8 N 1.22 3.58 0.00 1.54 0.00 -1.26 -0.81 121.76 126.03 3fl9 s ALA 8 Ca -0.06 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.39 3fl9 s ALA 8 Cb -0.14 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.53 3fl9 s ALA 8 CO -0.02 -0.05 0.00 -0.12 0.00 0.00 0.00 175.76 175.58 3fl9 n MET 9 N 3.90 0.00 -3.87 0.00 1.56 0.54 -4.67 117.12 114.58 3fl9 n MET 9 Ca -0.11 0.00 0.01 0.00 -0.27 0.00 0.00 57.70 57.33 3fl9 n MET 9 Cb 0.52 0.00 0.01 0.00 2.15 0.00 0.00 33.22 35.90 3fl9 n MET 9 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 3fl9 s ASP 10 N 0.73 -0.02 0.35 6.12 2.15 -1.25 -4.27 116.67 120.49 3fl9 s ASP 10 Ca 0.00 -0.31 0.19 0.00 0.43 0.00 0.00 52.55 52.86 3fl9 s ASP 10 Cb 0.00 0.25 0.34 0.00 -0.30 0.00 0.00 42.92 43.21 3fl9 s ASP 10 CO 0.00 -0.49 1.57 1.05 -0.17 0.00 0.00 175.17 177.13 3fl9 h GLU 11 N 2.00 0.00 -0.04 4.34 4.11 -1.15 -3.29 114.58 120.56 3fl9 h GLU 11 Ca -0.25 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.17 3fl9 h GLU 11 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 3fl9 h GLU 11 CO 0.32 0.34 -0.16 0.09 0.07 0.00 0.00 179.01 179.67 3fl9 n ASN 12 N -3.25 2.26 -0.78 3.06 3.02 -1.26 -4.97 115.26 113.34 3fl9 n ASN 12 Ca 0.02 -3.38 -0.10 0.00 -0.03 0.00 0.00 54.58 51.09 3fl9 n ASN 12 Cb 0.62 -0.48 -0.04 0.00 -0.61 0.00 0.00 39.78 39.27 3fl9 n ASN 12 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3fl9 n ARG 13 N -1.26 -0.98 -2.27 3.52 1.74 -1.24 -4.88 116.66 111.30 3fl9 n ARG 13 Ca 0.18 0.82 -0.42 0.00 -0.77 0.00 0.00 57.85 57.66 3fl9 n ARG 13 Cb 0.69 -4.85 -0.03 0.00 -1.02 0.00 0.00 32.46 27.26 3fl9 n ARG 13 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3fl9 s VAL 14 N -2.25 3.75 -0.06 1.55 1.01 -1.26 0.40 120.40 123.54 3fl9 s VAL 14 Ca 0.00 1.18 0.01 0.00 0.00 0.00 0.00 61.98 63.16 3fl9 s VAL 14 Cb 0.00 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.64 3fl9 s VAL 14 CO 0.00 0.03 0.87 2.30 0.00 0.00 0.00 175.10 178.30 3fl9 n ILE 15 N 4.41 0.72 0.00 2.22 -5.35 -0.83 -3.77 119.36 116.76 3fl9 n ILE 15 Ca 0.12 -0.86 0.00 0.00 -0.27 0.00 0.00 62.75 61.74 3fl9 n ILE 15 Cb 0.44 0.65 0.00 0.00 -1.74 0.00 0.00 39.64 38.99 3fl9 n ILE 15 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fl9 n GLY 16 N -0.30 -0.99 0.00 3.28 0.00 -1.23 -4.68 105.19 101.27 3fl9 n GLY 16 Ca 0.01 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.89 3fl9 n GLY 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3fl9 n LYS 17 N -0.42 0.00 -0.31 1.61 4.81 -0.85 -3.43 118.16 119.57 3fl9 n LYS 17 Ca 0.00 0.00 0.22 0.00 -0.87 0.00 0.00 58.31 57.66 3fl9 n LYS 17 Cb 0.00 0.00 0.51 0.00 0.02 0.00 0.00 35.03 35.56 3fl9 n LYS 17 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 3fl9 h ASP 18 N 0.00 0.44 0.00 3.14 3.04 -1.97 -3.40 116.42 117.67 3fl9 h ASP 18 Ca 0.00 0.07 0.00 0.00 -3.24 0.00 0.00 57.03 53.86 3fl9 h ASP 18 Cb 0.00 -0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3fl9 h ASP 18 CO 0.00 0.11 0.00 0.59 -2.04 0.00 0.00 179.24 177.90 3fl9 n ASN 19 N -4.59 0.00 -4.69 4.15 3.02 -1.26 -5.08 115.26 106.80 3fl9 n ASN 19 Ca 0.24 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.49 3fl9 n ASN 19 Cb 0.83 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.93 3fl9 n ASN 19 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3fl9 s ASN 20 N -0.16 5.07 0.48 6.41 0.02 -1.26 -4.67 114.94 120.83 3fl9 s ASN 20 Ca 0.00 -0.15 -0.20 0.00 -1.02 0.00 0.00 52.86 51.49 3fl9 s ASN 20 Cb 0.00 -1.23 -0.12 0.00 0.02 0.00 0.00 41.25 39.92 3fl9 s ASN 20 CO 0.00 0.18 0.40 0.18 0.02 0.00 0.00 177.10 177.89 3fl9 n LEU 21 N 0.63 -0.52 -0.22 0.60 4.32 -1.26 -2.02 117.00 118.54 3fl9 n LEU 21 Ca -0.11 0.81 0.14 0.00 -0.02 0.00 0.00 56.01 56.83 3fl9 n LEU 21 Cb 0.52 -1.08 0.60 0.00 -1.62 0.00 0.00 43.42 41.84 3fl9 n LEU 21 CO 0.39 -3.33 0.87 -2.65 -1.22 0.00 0.00 177.39 171.45 3fl9 n PRO 22 N 0.57 1.01 -4.31 3.23 -0.02 -1.26 -4.78 135.00 129.44 3fl9 n PRO 22 Ca 0.11 -0.44 -0.17 0.00 -2.02 0.00 0.00 63.50 60.98 3fl9 n PRO 22 Cb 0.43 -1.49 -0.10 0.00 -0.02 0.00 0.00 33.50 32.32 3fl9 n PRO 22 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3fl9 s TRP 23 N -2.29 1.54 -0.47 6.00 -2.14 -1.26 -5.04 118.94 115.28 3fl9 s TRP 23 Ca 0.33 -0.71 0.03 0.00 2.66 0.00 0.00 56.10 58.41 3fl9 s TRP 23 Cb 0.20 -0.79 0.13 0.00 -3.10 0.00 0.00 33.47 29.92 3fl9 s TRP 23 CO 0.43 0.18 0.25 0.50 -2.66 0.00 0.00 176.95 175.65 3fl9 s ARG 24 N -3.73 1.52 -0.62 3.25 3.52 -1.26 -5.05 118.95 116.58 3fl9 s ARG 24 Ca 0.22 -2.22 0.04 0.00 -0.13 0.00 0.00 55.73 53.64 3fl9 s ARG 24 Cb 0.02 -2.65 0.15 0.00 -1.56 0.00 0.00 34.95 30.92 3fl9 s ARG 24 CO 0.05 -1.15 0.39 -0.51 -0.81 0.00 0.00 175.30 173.28 3fl9 s LEU 25 N 0.12 4.49 0.24 -0.88 1.43 -1.26 -4.62 118.68 118.20 3fl9 s LEU 25 Ca 0.18 -3.48 -0.05 0.00 -1.03 0.00 0.00 54.13 49.75 3fl9 s LEU 25 Cb -0.24 -1.59 0.46 0.00 0.03 0.00 0.00 46.19 44.84 3fl9 s LEU 25 CO -0.00 -0.15 1.69 -0.65 0.23 0.00 0.00 176.35 177.47 3fl9 h PRO 26 N 5.86 0.29 -0.34 1.29 0.11 -1.97 -0.70 132.00 136.54 3fl9 h PRO 26 Ca 0.06 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.09 3fl9 h PRO 26 Cb 0.81 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.84 3fl9 h PRO 26 CO 0.69 0.19 -0.03 1.03 -0.21 0.00 0.00 178.00 179.67 3fl9 h SER 27 N 0.30 0.51 0.04 -2.05 0.87 -1.91 0.37 113.55 111.68 3fl9 h SER 27 Ca 0.41 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.86 3fl9 h SER 27 Cb 0.69 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 3fl9 h SER 27 CO -0.49 0.60 -0.02 -0.08 -0.53 0.00 0.00 176.83 176.32 3fl9 h GLU 28 N 0.51 -0.05 0.00 2.24 4.22 -1.55 -0.81 114.58 119.14 3fl9 h GLU 28 Ca 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.53 3fl9 h GLU 28 Cb 0.38 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 3fl9 h GLU 28 CO 0.02 0.18 -0.10 -0.07 -2.18 0.00 0.00 179.01 176.86 3fl9 h LEU 29 N -0.28 0.00 -0.04 1.64 3.38 -0.62 0.37 115.31 119.76 3fl9 h LEU 29 Ca -0.01 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 3fl9 h LEU 29 Cb 0.25 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.02 3fl9 h LEU 29 CO 0.01 0.10 -0.74 -0.61 0.09 0.00 0.00 178.44 177.28 3fl9 h GLN 30 N 0.00 0.57 0.30 1.13 5.75 -0.01 -2.34 115.11 120.51 3fl9 h GLN 30 Ca -0.00 -0.56 -0.01 0.00 -0.15 0.00 0.00 58.65 57.92 3fl9 h GLN 30 Cb 0.32 0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.02 3fl9 h GLN 30 CO 0.01 1.18 -0.14 -0.92 -2.65 0.00 0.00 178.83 176.31 3fl9 h TYR 31 N 0.17 -0.37 -0.77 3.99 3.20 -0.17 -0.84 116.97 122.19 3fl9 h TYR 31 Ca -0.08 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 61.90 3fl9 h TYR 31 Cb 1.41 0.12 -0.13 0.00 1.54 0.00 0.00 36.73 39.67 3fl9 h TYR 31 CO 0.12 -0.20 -0.39 0.28 -1.64 0.00 0.00 178.16 176.33 3fl9 h VAL 32 N -0.44 0.08 -0.18 1.81 2.07 -1.01 0.30 116.25 118.88 3fl9 h VAL 32 Ca -0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.48 3fl9 h VAL 32 Cb 0.33 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 3fl9 h VAL 32 CO 0.07 0.00 0.11 0.50 0.02 0.00 0.00 177.57 178.27 3fl9 h LYS 33 N -0.10 0.22 0.00 1.57 3.64 -1.21 -0.60 116.57 120.08 3fl9 h LYS 33 Ca 0.26 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3fl9 h LYS 33 Cb 0.56 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3fl9 h LYS 33 CO -0.81 0.15 0.00 -0.22 -2.27 0.00 0.00 179.45 176.29 3fl9 h LYS 34 N 0.23 0.00 0.06 1.90 3.64 -0.25 -2.62 116.57 119.53 3fl9 h LYS 34 Ca 0.07 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.10 3fl9 h LYS 34 Cb -0.01 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 3fl9 h LYS 34 CO -0.03 0.00 -2.06 2.41 -2.27 0.00 0.00 179.45 177.50 3fl9 n THR 35 N -2.93 1.65 -0.80 1.00 -1.04 0.97 -4.31 114.28 108.82 3fl9 n THR 35 Ca -0.01 -0.69 0.08 0.00 -2.04 0.00 0.00 64.05 61.39 3fl9 n THR 35 Cb 0.19 -1.40 0.39 0.00 -1.82 0.00 0.00 70.33 67.70 3fl9 n THR 35 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 3fl9 n THR 36 N -3.27 2.42 -2.56 12.58 5.66 -0.29 -4.98 114.28 123.83 3fl9 n THR 36 Ca -0.31 -1.33 -0.43 0.00 -3.05 0.00 0.00 64.05 58.92 3fl9 n THR 36 Cb 1.05 -0.12 -0.02 0.00 -1.55 0.00 0.00 70.33 69.69 3fl9 n THR 36 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 3fl9 s MET 37 N -2.42 4.20 0.00 1.09 0.00 -0.99 -2.92 119.30 118.26 3fl9 s MET 37 Ca 0.54 1.41 0.00 0.00 0.00 0.00 0.00 55.69 57.64 3fl9 s MET 37 Cb 0.39 -3.71 0.00 0.00 0.00 0.00 0.00 34.83 31.50 3fl9 s MET 37 CO 0.20 -0.73 0.00 0.41 0.00 0.00 0.00 175.02 174.89 3fl9 n GLY 38 N 3.57 0.07 3.75 2.11 0.00 -1.04 -5.05 105.19 108.60 3fl9 n GLY 38 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 3fl9 n GLY 38 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fl9 s HIS 39 N -2.02 2.81 0.25 1.61 3.76 -1.15 -4.82 115.29 115.72 3fl9 s HIS 39 Ca 0.00 -0.28 -0.30 0.00 -0.15 0.00 0.00 55.06 54.33 3fl9 s HIS 39 Cb 0.00 -1.51 -0.09 0.00 1.11 0.00 0.00 32.58 32.09 3fl9 s HIS 39 CO 0.00 0.42 1.32 -2.14 -0.85 0.00 0.00 174.74 173.49 3fl9 s PRO 40 N -3.82 4.38 -0.20 8.40 0.02 -1.26 -3.69 135.00 138.82 3fl9 s PRO 40 Ca 0.36 2.12 -0.16 0.00 0.02 0.00 0.00 61.00 63.34 3fl9 s PRO 40 Cb -0.05 -3.15 -0.04 0.00 0.02 0.00 0.00 34.50 31.29 3fl9 s PRO 40 CO 0.23 -0.23 0.41 -0.51 -0.33 0.00 0.00 177.00 176.57 3fl9 s LEU 41 N -0.69 4.16 -0.28 -5.54 1.02 -0.36 -2.04 118.68 114.95 3fl9 s LEU 41 Ca 0.54 0.54 -0.11 0.00 0.02 0.00 0.00 54.13 55.13 3fl9 s LEU 41 Cb -0.38 -2.54 -0.05 0.00 0.02 0.00 0.00 46.19 43.25 3fl9 s LEU 41 CO 0.43 -0.08 0.18 -0.63 0.02 0.00 0.00 176.35 176.27 3fl9 s ILE 42 N 1.29 5.22 0.01 -0.59 -1.09 -0.25 -0.79 121.20 125.01 3fl9 s ILE 42 Ca 0.20 0.12 -0.04 0.00 -2.23 0.00 0.00 60.65 58.70 3fl9 s ILE 42 Cb -0.15 -3.49 -0.01 0.00 -1.58 0.00 0.00 42.46 37.23 3fl9 s ILE 42 CO 0.08 0.25 0.07 0.00 -1.23 0.00 0.00 174.94 174.11 3fl9 s MET 43 N 1.75 0.44 0.52 2.79 0.23 0.65 0.11 119.30 125.79 3fl9 s MET 43 Ca 0.07 -0.54 -0.06 0.00 -1.03 0.00 0.00 55.69 54.13 3fl9 s MET 43 Cb -0.16 0.17 -0.02 0.00 -1.53 0.00 0.00 34.83 33.29 3fl9 s MET 43 CO 0.10 -0.10 0.84 0.20 -2.03 0.00 0.00 175.02 174.03 3fl9 s GLY 44 N -1.55 1.54 0.07 3.16 0.00 -1.26 -0.74 107.32 108.55 3fl9 s GLY 44 Ca -0.13 -0.54 -0.23 0.00 0.00 0.00 0.00 44.72 43.82 3fl9 s GLY 44 CO -0.00 -0.33 1.37 3.21 0.00 0.00 0.00 173.10 177.34 3fl9 h ARG 45 N 0.07 -0.45 0.00 2.90 3.08 -1.92 0.55 114.38 118.60 3fl9 h ARG 45 Ca -0.46 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.62 3fl9 h ARG 45 Cb 1.22 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.37 3fl9 h ARG 45 CO 0.61 -0.30 0.00 0.87 -1.07 0.00 0.00 179.97 180.08 3fl9 h LYS 46 N -0.47 0.00 0.00 0.04 1.79 -1.95 0.38 116.57 116.36 3fl9 h LYS 46 Ca 0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3fl9 h LYS 46 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 3fl9 h LYS 46 CO -0.22 0.00 -0.00 -0.97 -1.08 0.00 0.00 179.45 177.18 3fl9 h ASN 47 N 0.00 -0.01 0.09 0.86 -0.00 -1.46 -2.16 115.58 112.91 3fl9 h ASN 47 Ca 0.00 -0.87 -0.04 0.00 -0.00 0.00 0.00 56.30 55.38 3fl9 h ASN 47 Cb 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.34 3fl9 h ASN 47 CO 0.00 0.90 -0.15 0.22 -0.00 0.00 0.00 177.43 178.39 3fl9 h TYR 48 N -0.94 0.14 -0.03 0.67 3.20 0.11 -0.83 116.97 119.30 3fl9 h TYR 48 Ca -0.00 -0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.72 3fl9 h TYR 48 Cb 0.88 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.09 3fl9 h TYR 48 CO 0.24 0.29 -0.62 0.93 -1.64 0.00 0.00 178.16 177.36 3fl9 h GLU 49 N 0.13 0.10 0.32 1.82 5.08 -0.38 0.24 114.58 121.89 3fl9 h GLU 49 Ca 0.03 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3fl9 h GLU 49 Cb 0.36 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3fl9 h GLU 49 CO 0.02 0.69 -0.15 0.00 -1.00 0.00 0.00 179.01 178.57 3fl9 h ALA 50 N 1.29 -0.43 -0.60 3.43 0.00 -0.74 -3.03 119.26 119.18 3fl9 h ALA 50 Ca -0.01 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.85 3fl9 h ALA 50 Cb 1.12 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.97 3fl9 h ALA 50 CO 0.09 -0.59 0.02 0.82 0.00 0.00 0.00 179.25 179.59 3fl9 h ILE 51 N -0.73 0.53 0.00 0.00 5.03 -1.11 -3.47 117.51 117.76 3fl9 h ILE 51 Ca -0.04 -0.05 0.00 0.00 -0.12 0.00 0.00 64.86 64.65 3fl9 h ILE 51 Cb 0.49 0.38 0.00 0.00 -3.03 0.00 0.00 36.82 34.66 3fl9 h ILE 51 CO 0.07 0.02 0.00 0.61 -0.68 0.00 0.00 178.15 178.18 3fl9 n GLY 52 N -1.35 2.14 3.85 5.37 0.00 0.83 -5.01 105.19 111.02 3fl9 n GLY 52 Ca 0.08 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.21 3fl9 n GLY 52 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fl9 s ARG 53 N 0.00 2.54 0.25 1.61 1.70 -1.26 -4.71 118.95 119.08 3fl9 s ARG 53 Ca 0.00 -1.50 -0.30 0.00 -0.47 0.00 0.00 55.73 53.46 3fl9 s ARG 53 Cb 0.00 -2.35 -0.10 0.00 -0.57 0.00 0.00 34.95 31.93 3fl9 s ARG 53 CO 0.00 -0.09 1.39 -2.14 -1.08 0.00 0.00 175.30 173.38 3fl9 s PRO 54 N -4.05 4.31 -0.40 3.89 0.02 -1.26 -4.99 135.00 132.52 3fl9 s PRO 54 Ca 0.45 2.22 -0.23 0.00 0.02 0.00 0.00 61.00 63.46 3fl9 s PRO 54 Cb -0.03 -3.13 0.02 0.00 0.02 0.00 0.00 34.50 31.38 3fl9 s PRO 54 CO 0.27 -0.34 0.77 -0.51 -0.33 0.00 0.00 177.00 176.85 3fl9 s LEU 55 N -0.50 4.20 0.75 -5.54 1.43 -1.26 -5.03 118.68 112.72 3fl9 s LEU 55 Ca 0.57 0.13 -0.13 0.00 -1.03 0.00 0.00 54.13 53.68 3fl9 s LEU 55 Cb -0.40 -2.97 0.05 0.00 0.03 0.00 0.00 46.19 42.90 3fl9 s LEU 55 CO 0.43 -0.79 1.12 -2.84 0.23 0.00 0.00 176.35 174.50 3fl9 s PRO 56 N 3.13 2.26 0.00 1.29 0.02 -1.26 -4.03 135.00 136.41 3fl9 s PRO 56 Ca 0.30 1.39 0.00 0.00 0.02 0.00 0.00 61.00 62.71 3fl9 s PRO 56 Cb -0.13 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.51 3fl9 s PRO 56 CO 0.19 -1.67 0.00 0.41 -0.33 0.00 0.00 177.00 175.60 3fl9 n GLY 57 N -0.53 0.69 3.29 0.52 0.00 -1.26 -4.98 105.19 102.92 3fl9 n GLY 57 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 3fl9 n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fl9 s ARG 58 N -0.62 0.87 -0.45 1.61 0.52 -1.26 -2.48 118.95 117.15 3fl9 s ARG 58 Ca 0.00 -0.41 -0.28 0.00 -0.52 0.00 0.00 55.73 54.52 3fl9 s ARG 58 Cb 0.00 0.39 -0.01 0.00 0.52 0.00 0.00 34.95 35.84 3fl9 s ARG 58 CO 0.00 -0.29 1.72 1.03 0.02 0.00 0.00 175.30 177.78 3fl9 s ARG 59 N -2.48 3.16 -0.57 3.54 0.52 -1.24 -4.90 118.95 116.98 3fl9 s ARG 59 Ca -0.05 1.01 -0.28 0.00 -0.52 0.00 0.00 55.73 55.89 3fl9 s ARG 59 Cb -0.01 -4.22 0.03 0.00 0.52 0.00 0.00 34.95 31.27 3fl9 s ARG 59 CO -0.03 -2.08 1.20 -0.80 0.02 0.00 0.00 175.30 173.61 3fl9 s ASN 60 N 6.20 6.45 -0.26 0.23 0.02 -1.26 -1.23 114.94 125.10 3fl9 s ASN 60 Ca 0.70 0.14 -0.05 0.00 -1.02 0.00 0.00 52.86 52.64 3fl9 s ASN 60 Cb -0.17 -2.55 -0.00 0.00 0.02 0.00 0.00 41.25 38.55 3fl9 s ASN 60 CO 0.29 -1.47 0.02 -0.63 0.02 0.00 0.00 177.10 175.33 3fl9 s ILE 61 N 4.96 3.71 -0.01 0.60 1.01 0.03 -0.25 121.20 131.25 3fl9 s ILE 61 Ca 0.44 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.54 3fl9 s ILE 61 Cb -0.07 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 3fl9 s ILE 61 CO 0.26 0.26 -0.03 -0.63 0.00 0.00 0.00 174.94 174.80 3fl9 s ILE 62 N 1.50 3.97 -0.01 2.92 1.01 0.59 -0.25 121.20 130.92 3fl9 s ILE 62 Ca 0.04 -0.63 0.08 0.00 0.00 0.00 0.00 60.65 60.14 3fl9 s ILE 62 Cb -0.16 -2.74 -0.02 0.00 0.01 0.00 0.00 42.46 39.55 3fl9 s ILE 62 CO -0.00 0.41 -0.25 -0.69 0.00 0.00 0.00 174.94 174.41 3fl9 s VAL 63 N -1.03 2.13 -0.24 2.92 1.01 0.09 -0.69 120.40 124.59 3fl9 s VAL 63 Ca 0.18 -1.12 -0.27 0.00 0.00 0.00 0.00 61.98 60.77 3fl9 s VAL 63 Cb -0.11 -1.75 0.14 0.00 0.00 0.00 0.00 36.38 34.65 3fl9 s VAL 63 CO 0.08 0.55 1.10 0.28 0.00 0.00 0.00 175.10 177.11 3fl9 s THR 64 N -0.65 0.00 0.47 3.92 -1.32 -0.89 -3.12 115.64 114.05 3fl9 s THR 64 Ca 0.10 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 60.76 3fl9 s THR 64 Cb -0.10 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.12 3fl9 s THR 64 CO -0.00 0.00 2.06 0.03 -2.21 0.00 0.00 174.62 174.49 3fl9 h ARG 65 N 3.37 0.00 -5.22 7.08 3.08 -1.88 -3.38 114.38 117.43 3fl9 h ARG 65 Ca -0.23 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.59 3fl9 h ARG 65 Cb 1.18 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.18 3fl9 h ARG 65 CO 0.19 0.12 1.06 -1.71 -1.07 0.00 0.00 179.97 178.56 3fl9 n ASN 66 N -4.25 0.58 0.30 7.04 2.85 -1.26 -4.74 115.26 115.78 3fl9 n ASN 66 Ca -0.03 -0.91 0.19 0.00 -0.11 0.00 0.00 54.58 53.73 3fl9 n ASN 66 Cb 0.20 -1.19 0.92 0.00 1.24 0.00 0.00 39.78 40.95 3fl9 n ASN 66 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 3fl9 h GLU 67 N 12.84 0.00 -0.23 1.20 4.11 -1.99 -2.44 114.58 128.06 3fl9 h GLU 67 Ca -0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.39 3fl9 h GLU 67 Cb 1.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 3fl9 h GLU 67 CO 1.27 0.02 -0.01 0.41 0.07 0.00 0.00 179.01 180.77 3fl9 n GLY 68 N -0.54 4.29 3.70 1.06 0.00 -1.26 -5.02 105.19 107.43 3fl9 n GLY 68 Ca -0.01 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 3fl9 n GLY 68 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3fl9 s TYR 69 N -2.89 3.29 -0.06 1.61 5.04 -0.92 -5.02 117.35 118.39 3fl9 s TYR 69 Ca 0.41 1.28 0.01 0.00 -2.44 0.00 0.00 57.07 56.32 3fl9 s TYR 69 Cb 0.34 -3.40 0.02 0.00 0.35 0.00 0.00 41.96 39.27 3fl9 s TYR 69 CO 0.07 -1.20 -0.06 -1.01 -1.34 0.00 0.00 175.55 172.01 3fl9 s HIS 70 N 1.82 1.04 0.08 4.97 3.76 -1.26 -4.89 115.29 120.81 3fl9 s HIS 70 Ca 0.56 -0.37 0.04 0.00 -0.15 0.00 0.00 55.06 55.14 3fl9 s HIS 70 Cb -0.26 -0.88 -0.03 0.00 1.11 0.00 0.00 32.58 32.53 3fl9 s HIS 70 CO 0.24 -0.28 -0.12 0.54 -0.85 0.00 0.00 174.74 174.27 3fl9 s VAL 71 N 1.11 0.97 0.05 -0.90 0.11 -1.26 -5.14 120.40 115.33 3fl9 s VAL 71 Ca -0.07 -1.40 -0.24 0.00 -2.93 0.00 0.00 61.98 57.33 3fl9 s VAL 71 Cb -0.14 -1.11 -0.06 0.00 -1.53 0.00 0.00 36.38 33.54 3fl9 s VAL 71 CO -0.01 -0.38 0.74 -0.70 -3.33 0.00 0.00 175.10 171.43 3fl9 s GLU 72 N -2.12 4.47 -0.06 1.54 2.56 -1.26 -3.80 118.70 120.04 3fl9 s GLU 72 Ca -0.00 1.03 0.00 0.00 0.00 0.00 0.00 54.97 55.99 3fl9 s GLU 72 Cb -0.07 -3.35 0.00 0.00 2.00 0.00 0.00 34.13 32.70 3fl9 s GLU 72 CO 0.01 0.31 0.00 0.41 -0.56 0.00 0.00 175.26 175.44 3fl9 n GLY 73 N 2.34 0.48 3.24 -1.50 0.00 -1.26 -4.87 105.19 103.63 3fl9 n GLY 73 Ca -0.03 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 3fl9 n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fl9 s GLU 75 N -4.01 1.89 -0.19 0.00 2.02 0.65 -4.82 118.70 114.24 3fl9 s GLU 75 Ca 0.30 -1.04 -0.00 0.00 0.02 0.00 0.00 54.97 54.25 3fl9 s GLU 75 Cb 0.07 -1.98 0.01 0.00 0.10 0.00 0.00 34.13 32.34 3fl9 s GLU 75 CO 0.07 0.52 -0.16 0.08 0.02 0.00 0.00 175.26 175.80 3fl9 s VAL 76 N -0.73 2.36 0.11 2.63 1.01 -1.26 -0.30 120.40 124.21 3fl9 s VAL 76 Ca 0.11 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.26 3fl9 s VAL 76 Cb -0.10 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 3fl9 s VAL 76 CO 0.01 0.50 0.15 0.00 0.00 0.00 0.00 175.10 175.76 3fl9 s ALA 77 N 1.33 3.72 -0.67 5.51 0.00 0.14 -4.96 121.76 126.82 3fl9 s ALA 77 Ca 0.05 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 51.03 3fl9 s ALA 77 Cb -0.13 -1.55 0.04 0.00 0.00 0.00 0.00 23.12 21.48 3fl9 s ALA 77 CO -0.11 0.68 0.66 0.72 0.00 0.00 0.00 175.76 177.71 3fl9 n HIS 78 N 0.08 0.00 -4.11 0.00 8.25 -1.26 -2.10 115.22 116.08 3fl9 n HIS 78 Ca -0.08 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.24 3fl9 n HIS 78 Cb 0.53 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.52 3fl9 n HIS 78 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3fl9 s SER 79 N -0.47 1.06 0.25 0.41 0.01 -1.26 -4.68 113.70 109.01 3fl9 s SER 79 Ca 0.06 -0.53 -0.04 0.00 1.31 0.00 0.00 55.95 56.76 3fl9 s SER 79 Cb 0.05 0.00 0.40 0.00 0.21 0.00 0.00 66.02 66.68 3fl9 s SER 79 CO 0.07 -0.15 1.82 0.58 0.41 0.00 0.00 173.24 175.98 3fl9 h VAL 80 N 4.49 0.95 -0.73 3.43 2.07 -1.95 -0.29 116.25 124.22 3fl9 h VAL 80 Ca -0.36 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 66.86 3fl9 h VAL 80 Cb 1.20 -0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3fl9 h VAL 80 CO 0.41 0.16 0.48 1.05 0.02 0.00 0.00 177.57 179.69 3fl9 h GLU 81 N 0.87 0.96 -0.17 1.57 4.11 -1.98 -0.32 114.58 119.63 3fl9 h GLU 81 Ca 0.41 -0.06 -0.09 0.00 0.07 0.00 0.00 59.36 59.68 3fl9 h GLU 81 Cb 0.33 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3fl9 h GLU 81 CO -0.23 0.64 -0.25 0.93 0.07 0.00 0.00 179.01 180.17 3fl9 h GLU 82 N 0.99 0.46 0.25 1.06 5.08 -1.62 0.85 114.58 121.66 3fl9 h GLU 82 Ca 0.27 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3fl9 h GLU 82 Cb -0.10 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 3fl9 h GLU 82 CO -0.06 0.87 -0.43 0.28 -1.00 0.00 0.00 179.01 178.67 3fl9 h VAL 83 N 0.10 0.00 -0.18 3.13 2.07 -0.90 0.57 116.25 121.04 3fl9 h VAL 83 Ca 0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.59 3fl9 h VAL 83 Cb 0.82 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3fl9 h VAL 83 CO 0.06 0.00 0.24 -0.26 0.02 0.00 0.00 177.57 177.63 3fl9 h PHE 84 N -0.73 0.00 0.09 1.57 0.04 -1.00 0.67 116.94 117.58 3fl9 h PHE 84 Ca -0.03 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.48 3fl9 h PHE 84 Cb 0.68 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.85 3fl9 h PHE 84 CO -0.33 0.00 -1.08 1.49 -0.60 0.00 0.00 178.31 177.79 3fl9 h GLU 85 N 0.00 0.58 0.69 1.51 4.57 -0.14 -2.98 114.58 118.81 3fl9 h GLU 85 Ca 0.09 -0.74 -0.03 0.00 -1.18 0.00 0.00 59.36 57.49 3fl9 h GLU 85 Cb 0.56 0.24 0.01 0.00 -0.16 0.00 0.00 28.75 29.39 3fl9 h GLU 85 CO -0.00 1.32 -0.33 -0.07 -1.18 0.00 0.00 179.01 178.75 3fl9 h LEU 86 N 0.18 -0.79 -2.04 1.64 3.38 0.53 -3.12 115.31 115.09 3fl9 h LEU 86 Ca -0.16 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3fl9 h LEU 86 Cb 1.77 0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.72 3fl9 h LEU 86 CO 0.21 -0.41 0.00 0.00 0.09 0.00 0.00 178.44 178.33 3fl9 h LYS 88 N 0.41 0.00 -0.02 0.00 3.64 -1.45 -1.92 116.57 117.24 3fl9 h LYS 88 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3fl9 h LYS 88 Cb 0.82 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 3fl9 h LYS 88 CO 0.00 0.12 -0.12 0.09 -2.27 0.00 0.00 179.45 177.26 3fl9 n ASN 89 N -3.41 2.11 -4.81 4.20 5.03 -1.26 -5.01 115.26 112.11 3fl9 n ASN 89 Ca -0.01 -1.55 -0.34 0.00 0.87 0.00 0.00 54.58 53.55 3fl9 n ASN 89 Cb 0.29 0.18 -0.07 0.00 -1.02 0.00 0.00 39.78 39.16 3fl9 n ASN 89 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3fl9 s GLU 90 N -1.59 4.29 -0.11 3.52 0.41 -0.72 -4.99 118.70 119.52 3fl9 s GLU 90 Ca 0.17 1.10 -0.20 0.00 -0.41 0.00 0.00 54.97 55.63 3fl9 s GLU 90 Cb 0.14 -2.43 -0.27 0.00 -1.78 0.00 0.00 34.13 29.79 3fl9 s GLU 90 CO 0.28 0.11 0.62 0.93 -0.49 0.00 0.00 175.26 176.71 3fl9 h GLU 91 N 2.40 0.18 -2.90 1.61 3.07 -1.94 -3.44 114.58 113.56 3fl9 h GLU 91 Ca -0.48 -0.31 -0.14 0.00 -0.50 0.00 0.00 59.36 57.92 3fl9 h GLU 91 Cb 1.18 0.12 -0.25 0.00 -0.84 0.00 0.00 28.75 28.96 3fl9 h GLU 91 CO 0.63 1.15 -0.34 -2.00 -1.40 0.00 0.00 179.01 177.05 3fl9 s GLU 92 N -2.41 0.37 0.14 2.33 2.12 -1.26 -1.28 118.70 118.72 3fl9 s GLU 92 Ca -0.19 0.51 0.08 0.00 0.36 0.00 0.00 54.97 55.73 3fl9 s GLU 92 Cb 0.03 0.14 -0.04 0.00 0.26 0.00 0.00 34.13 34.51 3fl9 s GLU 92 CO 0.74 -0.07 -0.19 0.96 -0.54 0.00 0.00 175.26 176.16 3fl9 s ILE 93 N 0.42 1.75 -0.28 -3.70 -4.36 -0.09 -4.11 121.20 110.82 3fl9 s ILE 93 Ca -0.02 -1.76 0.03 0.00 -0.26 0.00 0.00 60.65 58.64 3fl9 s ILE 93 Cb -0.04 -1.71 0.07 0.00 1.25 0.00 0.00 42.46 42.03 3fl9 s ILE 93 CO -0.02 -0.22 -0.05 -0.36 0.24 0.00 0.00 174.94 174.53 3fl9 s PHE 94 N -1.71 3.25 0.06 1.37 0.08 -0.87 -0.71 117.98 119.46 3fl9 s PHE 94 Ca 0.12 -2.44 -0.30 0.00 0.12 0.00 0.00 56.93 54.42 3fl9 s PHE 94 Cb -0.07 -2.18 -0.09 0.00 -0.57 0.00 0.00 43.02 40.10 3fl9 s PHE 94 CO 0.05 -0.89 1.87 0.42 -0.10 0.00 0.00 175.22 176.57 3fl9 s ILE 95 N 1.10 2.89 -0.18 0.64 -1.09 0.17 -1.09 121.20 123.64 3fl9 s ILE 95 Ca -0.02 0.13 0.11 0.00 -2.23 0.00 0.00 60.65 58.64 3fl9 s ILE 95 Cb -0.19 -3.08 -0.16 0.00 -1.58 0.00 0.00 42.46 37.44 3fl9 s ILE 95 CO -0.07 -0.01 0.32 0.33 -1.23 0.00 0.00 174.94 174.29 3fl9 n PHE 96 N 6.66 0.00 -2.64 3.97 7.35 0.30 -0.83 117.46 132.27 3fl9 n PHE 96 Ca 0.19 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.88 3fl9 n PHE 96 Cb 0.40 -0.18 0.00 0.00 0.35 0.00 0.00 39.48 40.05 3fl9 n PHE 96 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3fl9 n GLY 97 N 1.66 -1.46 1.71 7.13 0.00 -1.26 -4.86 105.19 108.12 3fl9 n GLY 97 Ca -0.01 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3fl9 n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fl9 n GLY 98 N -0.11 -4.53 0.33 -0.02 0.00 -1.26 -4.23 105.19 95.38 3fl9 n GLY 98 Ca 0.00 -0.24 0.16 0.00 0.00 0.00 0.00 46.02 45.94 3fl9 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fl9 h ALA 99 N 2.39 2.16 0.08 4.61 0.00 -1.99 -0.07 119.26 126.44 3fl9 h ALA 99 Ca 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 3fl9 h ALA 99 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3fl9 h ALA 99 CO 0.00 -0.37 -1.15 1.96 0.00 0.00 0.00 179.25 179.69 3fl9 h GLN 100 N 0.00 0.17 0.16 0.00 1.08 -1.91 -3.18 115.11 111.43 3fl9 h GLN 100 Ca 0.13 -0.29 -0.01 0.00 -1.45 0.00 0.00 58.65 57.04 3fl9 h GLN 100 Cb 0.58 0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 28.11 3fl9 h GLN 100 CO -0.00 1.14 -0.09 0.82 -0.95 0.00 0.00 178.83 179.75 3fl9 h ILE 101 N 0.05 0.82 -1.04 2.54 1.08 -1.22 -2.31 117.51 117.42 3fl9 h ILE 101 Ca -0.09 0.00 0.29 0.00 -0.39 0.00 0.00 64.86 64.67 3fl9 h ILE 101 Cb 1.90 0.82 -0.06 0.00 -3.07 0.00 0.00 36.82 36.40 3fl9 h ILE 101 CO 0.18 0.00 0.72 1.88 -0.69 0.00 0.00 178.15 180.24 3fl9 h TYR 102 N -0.23 0.24 0.76 1.37 0.05 -1.39 -1.42 116.97 116.34 3fl9 h TYR 102 Ca -0.02 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 3fl9 h TYR 102 Cb 0.19 -0.07 0.01 0.00 1.01 0.00 0.00 36.73 37.87 3fl9 h TYR 102 CO -0.08 0.03 -0.36 -0.44 -1.05 0.00 0.00 178.16 176.26 3fl9 h ASP 103 N 0.15 -0.86 -1.16 3.88 5.19 -1.40 -1.39 116.42 120.83 3fl9 h ASP 103 Ca 0.53 0.03 0.33 0.00 -0.62 0.00 0.00 57.03 57.30 3fl9 h ASP 103 Cb 1.80 0.22 -0.07 0.00 0.18 0.00 0.00 39.33 41.47 3fl9 h ASP 103 CO -0.11 -0.52 0.80 -0.07 -3.12 0.00 0.00 179.24 176.23 3fl9 h LEU 104 N -1.20 0.16 -3.02 1.55 3.38 -0.99 0.08 115.31 115.26 3fl9 h LEU 104 Ca -0.10 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3fl9 h LEU 104 Cb 0.78 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3fl9 h LEU 104 CO 0.17 0.02 0.00 0.49 0.09 0.00 0.00 178.44 179.21 3fl9 n PHE 105 N -4.35 0.72 -0.06 1.13 3.72 -0.99 -4.51 117.46 113.12 3fl9 n PHE 105 Ca 0.26 -0.63 -0.13 0.00 -0.05 0.00 0.00 57.45 56.91 3fl9 n PHE 105 Cb 1.15 -0.14 -0.06 0.00 -0.94 0.00 0.00 39.48 39.49 3fl9 n PHE 105 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3fl9 h LEU 106 N 2.18 0.45 -0.91 4.37 5.85 0.20 -3.14 115.31 124.32 3fl9 h LEU 106 Ca 0.00 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3fl9 h LEU 106 Cb 1.03 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.93 3fl9 h LEU 106 CO 0.09 0.82 0.01 -2.65 -0.34 0.00 0.00 178.44 176.37 3fl9 n PRO 107 N -4.51 0.09 -0.10 5.25 -0.02 -1.26 -1.75 135.00 132.70 3fl9 n PRO 107 Ca -0.05 0.59 0.08 0.00 -2.02 0.00 0.00 63.50 62.09 3fl9 n PRO 107 Cb 0.37 -1.80 0.13 0.00 -0.02 0.00 0.00 33.50 32.18 3fl9 n PRO 107 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3fl9 n TYR 108 N -1.98 0.11 -2.75 6.00 4.01 -1.19 -5.04 117.16 116.32 3fl9 n TYR 108 Ca -0.01 -0.88 -0.42 0.00 -0.16 0.00 0.00 57.90 56.43 3fl9 n TYR 108 Cb 0.03 -0.14 -0.03 0.00 -0.31 0.00 0.00 39.34 38.89 3fl9 n TYR 108 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3fl9 s VAL 109 N -2.47 4.81 -0.05 -0.72 0.11 -0.71 -4.33 120.40 117.04 3fl9 s VAL 109 Ca 0.27 1.91 0.11 0.00 -2.93 0.00 0.00 61.98 61.34 3fl9 s VAL 109 Cb 0.23 -4.26 -0.17 0.00 -1.53 0.00 0.00 36.38 30.66 3fl9 s VAL 109 CO 0.03 0.01 0.17 0.47 -3.33 0.00 0.00 175.10 172.45 3fl9 n ASP 110 N 5.10 2.26 -3.69 3.54 8.00 0.17 -4.94 116.55 126.99 3fl9 n ASP 110 Ca 0.07 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.43 3fl9 n ASP 110 Cb 0.49 1.23 -0.08 0.00 -0.02 0.00 0.00 41.12 42.74 3fl9 n ASP 110 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3fl9 s LYS 111 N -2.60 0.81 -0.23 -1.24 2.20 -1.12 -3.60 119.74 113.96 3fl9 s LYS 111 Ca -0.05 -0.13 0.02 0.00 -0.36 0.00 0.00 55.97 55.45 3fl9 s LYS 111 Cb 0.06 0.37 0.05 0.00 -1.51 0.00 0.00 37.83 36.80 3fl9 s LYS 111 CO 0.48 -0.24 -0.10 -0.51 -0.36 0.00 0.00 175.35 174.62 3fl9 s LEU 112 N -1.44 2.77 -0.75 5.43 1.43 0.40 -1.79 118.68 124.72 3fl9 s LEU 112 Ca -0.11 -1.14 -0.15 0.00 -1.03 0.00 0.00 54.13 51.69 3fl9 s LEU 112 Cb -0.03 -1.34 0.18 0.00 0.03 0.00 0.00 46.19 45.03 3fl9 s LEU 112 CO 0.04 -0.18 0.73 -0.31 0.23 0.00 0.00 176.35 176.86 3fl9 s TYR 113 N 1.29 3.55 -0.34 0.29 1.51 -0.40 -0.85 117.35 122.39 3fl9 s TYR 113 Ca -0.05 -1.71 0.01 0.00 -1.01 0.00 0.00 57.07 54.31 3fl9 s TYR 113 Cb -0.18 -3.86 0.09 0.00 -0.11 0.00 0.00 41.96 37.90 3fl9 s TYR 113 CO -0.07 -1.05 0.06 0.42 -1.11 0.00 0.00 175.55 173.80 3fl9 s ILE 114 N 0.85 2.65 -0.18 2.71 1.01 0.24 -1.85 121.20 126.64 3fl9 s ILE 114 Ca 0.15 -2.01 -0.28 0.00 0.00 0.00 0.00 60.65 58.51 3fl9 s ILE 114 Cb -0.15 -2.78 -0.00 0.00 0.01 0.00 0.00 42.46 39.53 3fl9 s ILE 114 CO -0.05 -0.46 0.98 -0.89 0.00 0.00 0.00 174.94 174.52 3fl9 s THR 115 N 1.05 4.76 -0.28 2.92 2.01 0.01 -0.81 115.64 125.30 3fl9 s THR 115 Ca 0.05 1.93 -0.01 0.00 0.31 0.00 0.00 61.69 63.97 3fl9 s THR 115 Cb -0.20 -4.27 0.04 0.00 0.01 0.00 0.00 72.50 68.08 3fl9 s THR 115 CO -0.05 -0.07 -0.03 -0.54 -0.69 0.00 0.00 174.62 173.24 3fl9 s LYS 116 N 2.57 2.51 -0.00 4.92 1.02 -0.21 0.20 119.74 130.75 3fl9 s LYS 116 Ca 0.44 -1.20 -0.30 0.00 0.02 0.00 0.00 55.97 54.93 3fl9 s LYS 116 Cb -0.16 -3.10 -0.03 0.00 -0.52 0.00 0.00 37.83 34.01 3fl9 s LYS 116 CO 0.11 -0.56 1.06 0.42 -0.92 0.00 0.00 175.35 175.46 3fl9 s ILE 117 N 1.26 4.60 -0.10 2.17 1.09 -1.26 -2.11 121.20 126.84 3fl9 s ILE 117 Ca -0.04 1.87 -0.03 0.00 -1.10 0.00 0.00 60.65 61.35 3fl9 s ILE 117 Cb -0.19 -4.20 -0.07 0.00 -1.06 0.00 0.00 42.46 36.94 3fl9 s ILE 117 CO -0.02 0.11 2.77 1.41 -0.10 0.00 0.00 174.94 179.11 3fl9 n HIS 118 N 4.18 0.42 -4.47 3.97 8.25 0.27 -2.51 115.22 125.32 3fl9 n HIS 118 Ca 0.08 -1.45 -0.23 0.00 -0.26 0.00 0.00 57.72 55.85 3fl9 n HIS 118 Cb 0.49 -1.12 -0.06 0.00 1.12 0.00 0.00 29.99 30.42 3fl9 n HIS 118 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 3fl9 n HIS 119 N 1.67 0.27 -3.86 4.41 -0.00 -1.26 -4.91 115.22 111.54 3fl9 n HIS 119 Ca 0.28 -2.24 -0.30 0.00 -0.00 0.00 0.00 57.72 55.45 3fl9 n HIS 119 Cb 0.69 -0.05 -0.15 0.00 -0.00 0.00 0.00 29.99 30.48 3fl9 n HIS 119 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3fl9 s ALA 120 N -2.92 2.29 0.17 1.57 0.00 -1.26 -2.25 121.76 119.36 3fl9 s ALA 120 Ca 0.15 -2.26 -0.10 0.00 0.00 0.00 0.00 51.96 49.74 3fl9 s ALA 120 Cb 0.01 -1.84 -0.07 0.00 0.00 0.00 0.00 23.12 21.22 3fl9 s ALA 120 CO 0.10 -1.76 0.50 -0.06 0.00 0.00 0.00 175.76 174.55 3fl9 s PHE 121 N 1.02 3.51 -0.40 0.00 0.40 -1.26 -5.04 117.98 116.20 3fl9 s PHE 121 Ca 0.12 0.88 -0.27 0.00 -0.60 0.00 0.00 56.93 57.05 3fl9 s PHE 121 Cb -0.20 -2.24 0.02 0.00 0.51 0.00 0.00 43.02 41.11 3fl9 s PHE 121 CO -0.13 0.38 1.02 -2.00 0.70 0.00 0.00 175.22 175.18 3fl9 s GLU 122 N -2.39 3.80 -0.01 0.44 2.56 -1.26 -4.94 118.70 116.90 3fl9 s GLU 122 Ca 0.41 0.61 -0.19 0.00 0.00 0.00 0.00 54.97 55.80 3fl9 s GLU 122 Cb -0.13 -3.84 0.04 0.00 2.00 0.00 0.00 34.13 32.20 3fl9 s GLU 122 CO 0.20 -1.11 0.41 0.20 -0.56 0.00 0.00 175.26 174.41 3fl9 s GLY 123 N 2.06 -0.27 0.09 -1.50 0.00 -1.26 -4.81 107.32 101.64 3fl9 s GLY 123 Ca 0.42 0.53 0.20 0.00 0.00 0.00 0.00 44.72 45.87 3fl9 s GLY 123 CO 0.23 0.28 0.82 2.09 0.00 0.00 0.00 173.10 176.53 3fl9 n ASP 124 N 1.04 0.70 -4.78 1.64 5.68 -1.22 -4.90 116.55 114.71 3fl9 n ASP 124 Ca -0.20 0.29 -0.36 0.00 -0.50 0.00 0.00 54.79 54.02 3fl9 n ASP 124 Cb 0.57 0.55 -0.07 0.00 -1.14 0.00 0.00 41.12 41.03 3fl9 n ASP 124 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3fl9 s THR 125 N -3.15 5.36 0.22 2.12 -4.23 -1.24 -5.06 115.64 109.66 3fl9 s THR 125 Ca -0.03 0.16 0.08 0.00 -1.18 0.00 0.00 61.69 60.72 3fl9 s THR 125 Cb 0.10 -3.39 -0.05 0.00 1.34 0.00 0.00 72.50 70.50 3fl9 s THR 125 CO 0.82 0.52 -0.14 -0.36 -0.54 0.00 0.00 174.62 174.92 3fl9 s PHE 126 N -0.28 1.77 -0.19 3.99 0.40 -1.26 -1.96 117.98 120.45 3fl9 s PHE 126 Ca 0.11 -0.57 -0.22 0.00 -0.60 0.00 0.00 56.93 55.65 3fl9 s PHE 126 Cb -0.12 -0.83 -0.02 0.00 0.51 0.00 0.00 43.02 42.56 3fl9 s PHE 126 CO 0.01 0.38 0.69 0.12 0.70 0.00 0.00 175.22 177.11 3fl9 s PHE 127 N -2.94 3.39 0.61 0.36 5.36 0.16 -4.62 117.98 120.30 3fl9 s PHE 127 Ca 0.24 1.02 -0.18 0.00 -0.96 0.00 0.00 56.93 57.05 3fl9 s PHE 127 Cb -0.01 -2.86 -0.05 0.00 -0.34 0.00 0.00 43.02 39.76 3fl9 s PHE 127 CO 0.08 -0.19 0.89 -2.30 -1.46 0.00 0.00 175.22 172.23 3fl9 n PRO 128 N 5.10 0.80 -1.77 10.12 -0.02 -1.26 -4.92 135.00 143.06 3fl9 n PRO 128 Ca 0.00 0.31 -0.32 0.00 -2.02 0.00 0.00 63.50 61.47 3fl9 n PRO 128 Cb 0.49 -2.09 0.04 0.00 -0.02 0.00 0.00 33.50 31.92 3fl9 n PRO 128 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3fl9 s GLU 129 N -2.69 2.96 0.08 -0.52 2.02 -1.26 -5.08 118.70 114.21 3fl9 s GLU 129 Ca 0.75 1.20 0.02 0.00 0.02 0.00 0.00 54.97 56.96 3fl9 s GLU 129 Cb -0.42 -1.98 -0.04 0.00 0.10 0.00 0.00 34.13 31.79 3fl9 s GLU 129 CO 0.48 -1.10 -0.07 -1.64 0.02 0.00 0.00 175.26 172.95 3fl9 s MET 130 N -4.39 0.73 0.05 1.61 -1.94 -1.26 -5.09 119.30 109.01 3fl9 s MET 130 Ca 0.63 -1.16 -0.34 0.00 -1.71 0.00 0.00 55.69 53.11 3fl9 s MET 130 Cb -0.17 -0.19 -0.19 0.00 2.01 0.00 0.00 34.83 36.29 3fl9 s MET 130 CO 0.44 -0.01 1.45 0.22 -0.01 0.00 0.00 175.02 177.12 3fl9 h ASP 131 N 3.41 -0.97 -4.56 3.03 3.58 -2.03 -3.52 116.42 115.36 3fl9 h ASP 131 Ca -0.35 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.12 3fl9 h ASP 131 Cb 1.17 0.25 0.00 0.00 1.72 0.00 0.00 39.33 42.47 3fl9 h ASP 131 CO 0.58 -0.64 -0.06 0.23 -2.88 0.00 0.00 179.24 176.47 3fl9 n MET 132 N -5.55 -1.00 0.00 0.28 2.81 -1.26 -4.95 117.12 107.45 3fl9 n MET 132 Ca -0.15 1.23 0.00 0.00 -1.81 0.00 0.00 57.70 56.98 3fl9 n MET 132 Cb 0.46 -4.31 0.00 0.00 -0.71 0.00 0.00 33.22 28.65 3fl9 n MET 132 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3fl9 n ASN 134 N -1.31 0.00 -4.31 7.83 4.05 -1.26 -5.09 115.26 115.17 3fl9 n ASN 134 Ca 0.01 0.00 -0.32 0.00 0.45 0.00 0.00 54.58 54.73 3fl9 n ASN 134 Cb 0.47 0.00 0.19 0.00 1.23 0.00 0.00 39.78 41.67 3fl9 n ASN 134 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 177.26 175.00 3fl9 n TRP 135 N 5.82 -1.41 -3.73 1.20 7.02 -1.26 -3.48 117.44 121.59 3fl9 n TRP 135 Ca 0.00 0.07 -0.24 0.00 -1.02 0.00 0.00 57.50 56.31 3fl9 n TRP 135 Cb 0.00 -1.59 -0.17 0.00 -2.42 0.00 0.00 31.31 27.13 3fl9 n TRP 135 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 3fl9 s LYS 136 N -3.63 0.47 -0.07 -0.99 2.47 0.09 -4.61 119.74 113.48 3fl9 s LYS 136 Ca 0.58 -0.01 -0.30 0.00 -1.56 0.00 0.00 55.97 54.69 3fl9 s LYS 136 Cb -0.14 -1.29 -0.05 0.00 -1.46 0.00 0.00 37.83 34.90 3fl9 s LYS 136 CO 0.66 -0.43 1.51 -2.00 0.16 0.00 0.00 175.35 175.25 3fl9 s GLU 137 N 1.99 4.21 -0.16 4.03 2.12 -1.26 -0.45 118.70 129.17 3fl9 s GLU 137 Ca 0.03 2.02 0.15 0.00 0.36 0.00 0.00 54.97 57.53 3fl9 s GLU 137 Cb -0.14 -3.84 -0.21 0.00 0.26 0.00 0.00 34.13 30.20 3fl9 s GLU 137 CO -0.06 -0.76 0.07 1.55 -0.54 0.00 0.00 175.26 175.52 3fl9 n VAL 138 N 5.28 1.12 -3.77 3.70 3.14 0.18 -4.93 118.33 123.05 3fl9 n VAL 138 Ca 0.16 -0.70 -0.13 0.00 -2.96 0.00 0.00 64.34 60.71 3fl9 n VAL 138 Cb 0.43 -0.54 -0.08 0.00 -1.06 0.00 0.00 33.84 32.59 3fl9 n VAL 138 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 3fl9 s PHE 139 N -2.43 -0.14 -0.14 1.45 5.36 -1.00 -5.00 117.98 116.10 3fl9 s PHE 139 Ca -0.08 0.15 -0.17 0.00 -0.96 0.00 0.00 56.93 55.86 3fl9 s PHE 139 Cb 0.05 0.08 0.04 0.00 -0.34 0.00 0.00 43.02 42.85 3fl9 s PHE 139 CO 0.69 -0.41 0.46 0.54 -1.46 0.00 0.00 175.22 175.04 3fl9 s VAL 140 N -1.64 0.01 -0.17 3.12 0.11 -1.26 -0.93 120.40 119.65 3fl9 s VAL 140 Ca -0.12 -0.08 -0.13 0.00 -2.93 0.00 0.00 61.98 58.73 3fl9 s VAL 140 Cb -0.04 -0.68 0.05 0.00 -1.53 0.00 0.00 36.38 34.18 3fl9 s VAL 140 CO 0.02 -0.04 0.44 -0.70 -3.33 0.00 0.00 175.10 171.48 3fl9 s GLU 141 N -0.14 0.46 -0.09 1.54 2.12 -0.83 -4.99 118.70 116.78 3fl9 s GLU 141 Ca -0.03 0.71 -0.30 0.00 0.36 0.00 0.00 54.97 55.72 3fl9 s GLU 141 Cb -0.03 0.12 -0.04 0.00 0.26 0.00 0.00 34.13 34.44 3fl9 s GLU 141 CO 0.02 -0.11 1.41 0.21 -0.54 0.00 0.00 175.26 176.25 3fl9 s LYS 142 N 0.82 4.23 0.64 4.30 2.20 -1.26 -0.46 119.74 130.21 3fl9 s LYS 142 Ca -0.05 1.89 -0.18 0.00 -0.36 0.00 0.00 55.97 57.27 3fl9 s LYS 142 Cb -0.06 -3.78 -0.01 0.00 -1.51 0.00 0.00 37.83 32.47 3fl9 s LYS 142 CO -0.06 -0.71 1.24 0.20 -0.36 0.00 0.00 175.35 175.66 3fl9 s GLY 143 N 2.34 2.70 -0.23 5.54 0.00 0.12 -4.92 107.32 112.87 3fl9 s GLY 143 Ca 0.62 1.05 -0.29 0.00 0.00 0.00 0.00 44.72 46.11 3fl9 s GLY 143 CO 0.22 1.46 1.48 -2.27 0.00 0.00 0.00 173.10 173.99 3fl9 s LEU 144 N -4.40 3.95 -0.39 0.66 2.96 -1.26 -4.61 118.68 115.59 3fl9 s LEU 144 Ca 0.79 1.54 -0.16 0.00 -0.22 0.00 0.00 54.13 56.08 3fl9 s LEU 144 Cb -0.33 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 42.84 3fl9 s LEU 144 CO 0.38 -1.13 0.37 -0.89 -1.32 0.00 0.00 176.35 173.76 3fl9 s THR 145 N 4.68 5.17 0.00 3.68 2.01 -1.26 -4.81 115.64 125.11 3fl9 s THR 145 Ca 0.65 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.33 3fl9 s THR 145 Cb -0.22 -3.93 0.00 0.00 0.01 0.00 0.00 72.50 68.35 3fl9 s THR 145 CO 0.26 -0.28 0.00 0.47 -0.69 0.00 0.00 174.62 174.37 3fl9 n ASP 146 N 5.40 1.50 0.05 3.53 9.92 -0.13 -4.91 116.55 131.91 3fl9 n ASP 146 Ca -0.09 -0.80 -0.13 0.00 -0.53 0.00 0.00 54.79 53.25 3fl9 n ASP 146 Cb 0.48 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.87 3fl9 n ASP 146 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 3fl9 h GLU 147 N 0.00 -0.16 -0.97 -1.24 3.07 -2.00 -3.20 114.58 110.08 3fl9 h GLU 147 Ca 0.00 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 3fl9 h GLU 147 Cb 0.00 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 3fl9 h GLU 147 CO 0.00 0.25 0.02 1.17 -1.40 0.00 0.00 179.01 179.05 3fl9 n LYS 148 N -4.96 1.34 -2.84 2.33 3.00 -1.26 -3.82 118.16 111.96 3fl9 n LYS 148 Ca -0.09 -0.33 -0.11 0.00 -0.00 0.00 0.00 58.31 57.78 3fl9 n LYS 148 Cb 0.25 -1.47 0.04 0.00 0.00 0.00 0.00 35.03 33.85 3fl9 n LYS 148 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3fl9 n ASN 149 N 0.13 -1.89 -0.86 3.14 3.02 -1.21 -4.26 115.26 113.33 3fl9 n ASN 149 Ca 0.04 -3.37 0.00 0.00 -0.03 0.00 0.00 54.58 51.21 3fl9 n ASN 149 Cb 0.42 1.32 0.00 0.00 -0.61 0.00 0.00 39.78 40.90 3fl9 n ASN 149 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3fl9 n PRO 150 N 0.92 0.42 -3.82 3.52 -0.02 -1.23 -0.95 135.00 133.84 3fl9 n PRO 150 Ca 0.11 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.47 3fl9 n PRO 150 Cb 0.65 -1.27 -0.09 0.00 -0.02 0.00 0.00 33.50 32.78 3fl9 n PRO 150 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3fl9 s TYR 151 N 0.12 -0.02 -0.29 6.00 2.02 -1.26 -5.03 117.35 118.89 3fl9 s TYR 151 Ca 0.00 -0.07 -0.15 0.00 -0.37 0.00 0.00 57.07 56.48 3fl9 s TYR 151 Cb 0.00 0.01 -0.03 0.00 -0.40 0.00 0.00 41.96 41.54 3fl9 s TYR 151 CO 0.00 -0.38 0.37 -0.08 -1.57 0.00 0.00 175.55 173.89 3fl9 s THR 152 N -1.89 5.17 -0.02 -0.71 -1.32 -1.26 -4.49 115.64 111.12 3fl9 s THR 152 Ca -0.10 0.41 -0.06 0.00 -1.21 0.00 0.00 61.69 60.73 3fl9 s THR 152 Cb -0.04 -3.74 0.01 0.00 -1.51 0.00 0.00 72.50 67.21 3fl9 s THR 152 CO -0.00 0.07 0.14 -0.72 -2.21 0.00 0.00 174.62 171.90 3fl9 s TYR 153 N 2.07 -0.03 -0.06 9.09 -0.85 -1.26 -0.56 117.35 125.74 3fl9 s TYR 153 Ca 0.14 0.06 0.05 0.00 -0.52 0.00 0.00 57.07 56.80 3fl9 s TYR 153 Cb -0.16 -0.01 -0.02 0.00 0.38 0.00 0.00 41.96 42.15 3fl9 s TYR 153 CO 0.11 -0.20 -0.20 0.71 -1.52 0.00 0.00 175.55 174.45 3fl9 s TYR 154 N -0.81 2.57 -0.08 -3.49 1.51 -0.90 0.15 117.35 116.30 3fl9 s TYR 154 Ca -0.09 -0.51 -0.26 0.00 -1.01 0.00 0.00 57.07 55.20 3fl9 s TYR 154 Cb -0.05 -1.64 -0.03 0.00 -0.11 0.00 0.00 41.96 40.13 3fl9 s TYR 154 CO 0.01 -0.08 0.81 0.71 -1.11 0.00 0.00 175.55 175.89 3fl9 s TYR 155 N -0.30 3.55 -0.03 2.71 4.12 0.39 -1.04 117.35 126.75 3fl9 s TYR 155 Ca 0.01 1.36 0.05 0.00 0.02 0.00 0.00 57.07 58.51 3fl9 s TYR 155 Cb -0.13 -2.94 -0.01 0.00 -1.52 0.00 0.00 41.96 37.36 3fl9 s TYR 155 CO 0.03 -0.03 -0.18 -1.01 0.02 0.00 0.00 175.55 174.38 3fl9 s HIS 156 N 1.23 1.67 -0.08 2.71 3.76 0.01 -1.96 115.29 122.64 3fl9 s HIS 156 Ca 0.41 -0.39 0.02 0.00 -0.15 0.00 0.00 55.06 54.95 3fl9 s HIS 156 Cb -0.18 -1.10 0.01 0.00 1.11 0.00 0.00 32.58 32.42 3fl9 s HIS 156 CO 0.19 -0.09 -0.14 0.08 -0.85 0.00 0.00 174.74 173.93 3fl9 s VAL 157 N -0.21 1.29 -0.03 -0.90 1.01 -0.10 0.83 120.40 122.29 3fl9 s VAL 157 Ca 0.02 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.52 3fl9 s VAL 157 Cb -0.09 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 3fl9 s VAL 157 CO 0.01 0.39 -0.21 -0.31 0.00 0.00 0.00 175.10 174.98 3fl9 s TYR 158 N 0.81 1.95 0.15 5.22 2.02 -0.03 0.50 117.35 127.96 3fl9 s TYR 158 Ca -0.11 -0.43 0.09 0.00 -0.37 0.00 0.00 57.07 56.25 3fl9 s TYR 158 Cb -0.15 -1.27 -0.04 0.00 -0.40 0.00 0.00 41.96 40.10 3fl9 s TYR 158 CO 0.02 -0.08 -0.14 -1.21 -1.57 0.00 0.00 175.55 172.57 3fl9 s GLU 159 N -0.38 1.90 0.22 -0.62 2.02 0.40 -0.45 118.70 121.79 3fl9 s GLU 159 Ca 0.05 -1.22 -0.32 0.00 0.02 0.00 0.00 54.97 53.49 3fl9 s GLU 159 Cb -0.09 -2.13 -0.13 0.00 0.10 0.00 0.00 34.13 31.88 3fl9 s GLU 159 CO 0.00 0.46 1.60 1.63 0.02 0.00 0.00 175.26 178.97 3fl9 n LYS 160 N 0.45 2.46 -1.45 1.61 5.02 -1.24 -0.73 118.16 124.30 3fl9 n LYS 160 Ca -0.13 0.88 -0.35 0.00 -2.02 0.00 0.00 58.31 56.69 3fl9 n LYS 160 Cb 0.54 -2.66 0.09 0.00 -0.02 0.00 0.00 35.03 32.98 3fl9 n LYS 160 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3fl9 s GLN 161 N 0.46 2.13 -0.15 1.97 2.00 -1.23 -4.76 119.66 120.08 3fl9 s GLN 161 Ca 0.73 1.86 -0.07 0.00 -2.00 0.00 0.00 55.36 55.88 3fl9 s GLN 161 Cb -0.58 -1.82 -0.04 0.00 0.80 0.00 0.00 33.01 31.37 3fl9 s GLN 161 CO 0.40 -1.87 0.09 1.14 -0.50 0.00 0.00 175.29 174.55 3fl9 s GLN 162 N -3.79 3.68 -0.11 1.67 -2.07 -1.26 -5.03 119.66 112.75 3fl9 s GLN 162 Ca 0.77 -0.27 -0.21 0.00 -1.82 0.00 0.00 55.36 53.82 3fl9 s GLN 162 Cb -0.32 -3.17 -0.04 0.00 -1.09 0.00 0.00 33.01 28.40 3fl9 s GLN 162 CO 0.45 0.50 0.63 -0.51 -1.32 0.00 0.00 175.29 175.04 3fl9 s LEU 163 N -0.27 4.27 -0.13 2.60 1.43 -1.26 -5.05 118.68 120.27 3fl9 s LEU 163 Ca 0.09 1.01 -0.24 0.00 -1.03 0.00 0.00 54.13 53.97 3fl9 s LEU 163 Cb -0.12 -2.94 -0.03 0.00 0.03 0.00 0.00 46.19 43.14 3fl9 s LEU 163 CO 0.01 -0.12 0.73 -0.69 0.23 0.00 0.00 176.35 176.51 3fl9 s VAL 164 N 1.00 4.98 -0.62 -1.59 1.01 -1.26 -5.00 120.40 118.92 3fl9 s VAL 164 Ca 0.32 1.46 -0.26 0.00 0.00 0.00 0.00 61.98 63.50 3fl9 s VAL 164 Cb -0.17 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 3fl9 s VAL 164 CO 0.14 0.14 1.93 -2.84 0.00 0.00 0.00 175.10 174.48 3fl9 s PRO 165 N 1.50 2.55 0.00 2.72 0.02 -1.26 -5.36 135.00 135.17 3fl9 s PRO 165 Ca 0.36 0.63 0.17 0.00 0.02 0.00 0.00 61.00 62.18 3fl9 s PRO 165 Cb -0.17 -4.46 1.02 0.00 0.02 0.00 0.00 34.50 30.91 3fl9 s PRO 165 CO 0.15 -2.85 1.43 0.54 -0.33 0.00 0.00 177.00 175.93