#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 4.19 -0.69 1.12 1.01 -0.97 -4.97 121.20 120.89 3fl9 s ILE 2 Ca 0.00 0.97 -0.20 0.00 0.00 0.00 0.00 60.65 61.42 3fl9 s ILE 2 Cb 0.00 -4.62 0.10 0.00 0.01 0.00 0.00 42.46 37.95 3fl9 s ILE 2 CO 0.00 -1.12 0.88 -0.69 0.00 0.00 0.00 174.94 174.01 3fl9 s VAL 3 N 4.51 4.66 0.11 2.92 1.01 -1.26 -1.19 120.40 131.14 3fl9 s VAL 3 Ca 0.43 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 3fl9 s VAL 3 Cb -0.08 -4.61 -0.05 0.00 0.00 0.00 0.00 36.38 31.64 3fl9 s VAL 3 CO 0.28 -1.31 0.29 -0.44 0.00 0.00 0.00 175.10 173.92 3fl9 s SER 4 N 3.59 6.42 -0.17 3.32 0.01 0.49 -1.95 113.70 125.40 3fl9 s SER 4 Ca 0.19 0.41 -0.07 0.00 1.31 0.00 0.00 55.95 57.80 3fl9 s SER 4 Cb -0.18 -2.02 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 3fl9 s SER 4 CO 0.04 0.10 0.04 -0.36 0.41 0.00 0.00 173.24 173.48 3fl9 s PHE 5 N -1.60 3.21 -0.30 2.43 0.40 -0.73 0.11 117.98 121.49 3fl9 s PHE 5 Ca 0.38 0.00 0.01 0.00 -0.60 0.00 0.00 56.93 56.72 3fl9 s PHE 5 Cb -0.12 -2.05 0.07 0.00 0.51 0.00 0.00 43.02 41.42 3fl9 s PHE 5 CO 0.27 0.13 -0.01 1.41 0.70 0.00 0.00 175.22 177.71 3fl9 s MET 6 N 0.34 2.16 -0.01 0.44 1.75 0.18 -0.27 119.30 123.89 3fl9 s MET 6 Ca 0.02 -1.45 0.01 0.00 -1.25 0.00 0.00 55.69 53.01 3fl9 s MET 6 Cb -0.13 -3.11 0.01 0.00 2.84 0.00 0.00 34.83 34.44 3fl9 s MET 6 CO 0.01 -0.70 -0.01 0.54 -0.65 0.00 0.00 175.02 174.21 3fl9 s VAL 7 N 1.13 0.17 -0.34 10.11 0.11 -0.97 -4.43 120.40 126.18 3fl9 s VAL 7 Ca -0.03 -0.04 -0.11 0.00 -2.93 0.00 0.00 61.98 58.88 3fl9 s VAL 7 Cb -0.20 -0.19 0.00 0.00 -1.53 0.00 0.00 36.38 34.46 3fl9 s VAL 7 CO -0.04 0.08 0.19 0.00 -3.33 0.00 0.00 175.10 172.00 3fl9 s ALA 8 N 0.28 3.33 0.00 1.54 0.00 -1.26 -0.73 121.76 124.92 3fl9 s ALA 8 Ca -0.03 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.45 3fl9 s ALA 8 Cb -0.05 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.55 3fl9 s ALA 8 CO -0.01 -1.07 0.00 -0.12 0.00 0.00 0.00 175.76 174.57 3fl9 n MET 9 N 5.02 1.32 -4.40 0.00 1.56 0.44 -4.49 117.12 116.58 3fl9 n MET 9 Ca -0.13 0.00 -0.20 0.00 -0.27 0.00 0.00 57.70 57.11 3fl9 n MET 9 Cb 0.48 0.00 -0.10 0.00 2.15 0.00 0.00 33.22 35.75 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 -0.98 2.07 0.45 6.12 2.15 -1.05 -3.50 116.67 121.93 3fl9 s ASP 10 Ca 0.00 -1.33 0.12 0.00 0.43 0.00 0.00 52.55 51.78 3fl9 s ASP 10 Cb 0.00 -0.03 1.03 0.00 -0.30 0.00 0.00 42.92 43.62 3fl9 s ASP 10 CO 0.00 -0.58 2.05 -0.33 -0.17 0.00 0.00 175.17 176.13 3fl9 h GLU 11 N 2.26 0.36 -0.53 4.34 5.08 -1.50 -1.33 114.58 123.25 3fl9 h GLU 11 Ca -0.40 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 57.81 3fl9 h GLU 11 Cb 1.24 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.33 3fl9 h GLU 11 CO 0.67 0.24 0.12 0.09 -1.00 0.00 0.00 179.01 179.12 3fl9 n ASN 12 N -4.48 4.32 0.00 1.42 3.02 -1.26 -4.94 115.26 113.34 3fl9 n ASN 12 Ca 0.05 -3.22 0.00 0.00 -0.03 0.00 0.00 54.58 51.38 3fl9 n ASN 12 Cb 0.20 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 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 -0.33 0.00 -1.64 3.52 1.74 -0.50 -4.89 116.66 114.56 3fl9 n ARG 13 Ca 0.33 0.00 -0.59 0.00 -0.77 0.00 0.00 57.85 56.82 3fl9 n ARG 13 Cb 1.18 -2.97 -0.08 0.00 -1.02 0.00 0.00 32.46 29.57 3fl9 n ARG 13 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3fl9 n VAL 14 N -2.00 0.20 0.11 1.55 0.31 -1.26 -2.74 118.33 114.49 3fl9 n VAL 14 Ca 0.00 -0.06 0.06 0.00 -0.01 0.00 0.00 64.34 64.33 3fl9 n VAL 14 Cb 0.00 -1.05 0.13 0.00 -0.91 0.00 0.00 33.84 32.01 3fl9 n VAL 14 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3fl9 n ILE 15 N 4.99 0.58 0.00 2.52 -5.35 -0.83 -2.54 119.36 118.73 3fl9 n ILE 15 Ca 0.32 -0.79 0.00 0.00 -0.27 0.00 0.00 62.75 62.01 3fl9 n ILE 15 Cb 0.08 0.82 0.00 0.00 -1.74 0.00 0.00 39.64 38.80 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 0.70 1.47 0.00 3.28 0.00 -1.21 -4.69 105.19 104.74 3fl9 n GLY 16 Ca 0.11 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.06 3fl9 n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fl9 n LYS 17 N -0.81 0.00 0.14 1.61 4.01 -0.88 -1.96 118.16 120.27 3fl9 n LYS 17 Ca 0.00 0.00 0.18 0.00 -0.51 0.00 0.00 58.31 57.98 3fl9 n LYS 17 Cb 0.00 0.00 0.60 0.00 -0.51 0.00 0.00 35.03 35.12 3fl9 n LYS 17 CO 0.00 0.00 0.00 0.38 -1.11 0.00 0.00 177.40 176.67 3fl9 h ASP 18 N 0.00 0.00 0.00 4.39 3.04 -1.95 -3.39 116.42 118.51 3fl9 h ASP 18 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 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 0.00 0.00 0.59 -2.04 0.00 0.00 179.24 177.79 3fl9 n ASN 19 N -3.20 0.00 -4.75 4.15 4.13 -1.26 -5.08 115.26 109.25 3fl9 n ASN 19 Ca 0.07 0.00 -0.28 0.00 1.68 0.00 0.00 54.58 56.05 3fl9 n ASN 19 Cb 0.78 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.95 3fl9 n ASN 19 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 3fl9 s ASN 20 N -0.46 4.27 0.16 6.41 -0.87 -1.26 -4.77 114.94 118.42 3fl9 s ASN 20 Ca 0.00 -1.31 -0.31 0.00 -1.57 0.00 0.00 52.86 49.67 3fl9 s ASN 20 Cb 0.00 -0.07 -0.11 0.00 -0.02 0.00 0.00 41.25 41.05 3fl9 s ASN 20 CO 0.00 -0.69 1.78 -0.76 -2.57 0.00 0.00 177.10 174.86 3fl9 s LEU 21 N -3.92 4.39 0.42 0.60 1.02 -1.26 -2.07 118.68 117.86 3fl9 s LEU 21 Ca 0.30 2.80 0.30 0.00 0.02 0.00 0.00 54.13 57.55 3fl9 s LEU 21 Cb 0.04 -3.58 1.38 0.00 0.02 0.00 0.00 46.19 44.04 3fl9 s LEU 21 CO 0.17 -0.99 1.89 -0.65 0.02 0.00 0.00 176.35 176.79 3fl9 h PRO 22 N 7.84 0.00 -5.93 1.29 0.11 -1.89 -3.43 132.00 129.99 3fl9 h PRO 22 Ca -0.45 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.15 3fl9 h PRO 22 Cb 1.21 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.11 3fl9 h PRO 22 CO 0.95 0.00 -0.81 1.67 -0.21 0.00 0.00 178.00 179.60 3fl9 s TRP 23 N -3.60 1.63 -0.33 0.65 -2.14 -1.26 -5.02 118.94 108.87 3fl9 s TRP 23 Ca 0.00 -0.43 -0.01 0.00 2.66 0.00 0.00 56.10 58.32 3fl9 s TRP 23 Cb 0.09 -0.89 0.07 0.00 -3.10 0.00 0.00 33.47 29.64 3fl9 s TRP 23 CO 0.40 0.17 0.05 0.50 -2.66 0.00 0.00 176.95 175.41 3fl9 s ARG 24 N -1.92 2.20 -0.38 3.25 3.52 -1.26 -5.03 118.95 119.33 3fl9 s ARG 24 Ca 0.05 -1.48 0.02 0.00 -0.13 0.00 0.00 55.73 54.19 3fl9 s ARG 24 Cb -0.10 -3.27 0.15 0.00 -1.56 0.00 0.00 34.95 30.18 3fl9 s ARG 24 CO 0.04 -0.77 0.31 -0.51 -0.81 0.00 0.00 175.30 173.56 3fl9 s LEU 25 N 1.18 0.61 0.17 -0.88 1.43 -1.26 -4.63 118.68 115.30 3fl9 s LEU 25 Ca -0.00 -2.14 -0.12 0.00 -1.03 0.00 0.00 54.13 50.84 3fl9 s LEU 25 Cb -0.20 0.00 0.08 0.00 0.03 0.00 0.00 46.19 46.10 3fl9 s LEU 25 CO -0.03 -0.26 1.73 -0.65 0.23 0.00 0.00 176.35 177.38 3fl9 h PRO 26 N 6.69 0.89 -0.77 1.29 0.11 -1.96 -1.86 132.00 136.40 3fl9 h PRO 26 Ca 0.10 -0.16 0.19 0.00 0.11 0.00 0.00 66.00 66.24 3fl9 h PRO 26 Cb 0.99 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.91 3fl9 h PRO 26 CO 0.25 0.76 0.53 1.03 -0.21 0.00 0.00 178.00 180.35 3fl9 h SER 27 N 0.83 0.22 0.05 -2.05 0.87 -1.91 0.20 113.55 111.75 3fl9 h SER 27 Ca 0.20 0.02 -0.24 0.00 -1.23 0.00 0.00 61.79 60.54 3fl9 h SER 27 Cb 0.19 -0.02 0.02 0.00 -0.44 0.00 0.00 62.40 62.15 3fl9 h SER 27 CO -0.02 0.10 -0.97 -0.08 -0.53 0.00 0.00 176.83 175.33 3fl9 h GLU 28 N 0.22 0.57 0.00 2.24 4.22 -1.79 -2.66 114.58 117.39 3fl9 h GLU 28 Ca 0.38 -0.68 0.00 0.00 0.08 0.00 0.00 59.36 59.14 3fl9 h GLU 28 Cb 1.15 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.61 3fl9 h GLU 28 CO -0.08 1.28 0.00 1.28 -2.18 0.00 0.00 179.01 179.31 3fl9 n LEU 29 N -3.95 0.42 -0.06 1.64 4.77 -0.08 -1.12 117.00 118.62 3fl9 n LEU 29 Ca -0.12 0.60 -0.07 0.00 -0.03 0.00 0.00 56.01 56.39 3fl9 n LEU 29 Cb 0.85 -0.55 -0.05 0.00 -2.33 0.00 0.00 43.42 41.34 3fl9 n LEU 29 CO 0.54 -0.44 0.02 -0.61 -1.33 0.00 0.00 177.39 175.57 3fl9 h GLN 30 N 0.00 0.00 -0.91 3.23 5.75 -0.65 -2.56 115.11 119.97 3fl9 h GLN 30 Ca 0.00 0.00 0.21 0.00 -0.15 0.00 0.00 58.65 58.71 3fl9 h GLN 30 Cb 0.33 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 28.81 3fl9 h GLN 30 CO 0.00 0.42 0.60 -0.92 -2.65 0.00 0.00 178.83 176.28 3fl9 h TYR 31 N -1.00 0.55 0.66 3.99 3.20 -1.18 0.30 116.97 123.48 3fl9 h TYR 31 Ca -0.04 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 3fl9 h TYR 31 Cb 0.52 -0.17 0.01 0.00 1.54 0.00 0.00 36.73 38.63 3fl9 h TYR 31 CO 0.07 0.14 -0.32 0.28 -1.64 0.00 0.00 178.16 176.69 3fl9 h VAL 32 N 0.41 0.27 -0.32 1.81 2.07 -1.23 -1.84 116.25 117.42 3fl9 h VAL 32 Ca 0.48 -0.19 0.07 0.00 0.82 0.00 0.00 66.70 67.88 3fl9 h VAL 32 Cb 1.19 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 31.21 3fl9 h VAL 32 CO -0.18 0.02 -0.24 0.50 0.02 0.00 0.00 177.57 177.69 3fl9 h LYS 33 N -1.03 -0.20 -0.14 1.57 3.64 -0.40 -0.93 116.57 119.07 3fl9 h LYS 33 Ca -0.09 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 3fl9 h LYS 33 Cb 0.72 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 3fl9 h LYS 33 CO 0.15 -0.14 -0.04 -0.22 -2.27 0.00 0.00 179.45 176.93 3fl9 h LYS 34 N -0.21 0.21 -0.00 1.90 3.64 -0.57 -1.30 116.57 120.23 3fl9 h LYS 34 Ca 0.16 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.44 3fl9 h LYS 34 Cb 0.46 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.25 3fl9 h LYS 34 CO -0.44 0.27 -0.27 1.15 -2.27 0.00 0.00 179.45 177.89 3fl9 h THR 35 N 0.20 1.53 -0.00 1.00 2.02 -0.46 -3.33 112.91 113.87 3fl9 h THR 35 Ca 0.05 -1.94 0.00 0.00 0.77 0.00 0.00 66.41 65.29 3fl9 h THR 35 Cb 0.22 2.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 3fl9 h THR 35 CO 0.01 0.53 -0.23 1.07 0.37 0.00 0.00 175.52 177.28 3fl9 n THR 36 N -4.49 0.00 -1.65 3.16 5.66 -0.44 -4.93 114.28 111.60 3fl9 n THR 36 Ca -0.10 -0.01 -0.48 0.00 -3.05 0.00 0.00 64.05 60.41 3fl9 n THR 36 Cb 0.51 -0.11 -0.05 0.00 -1.55 0.00 0.00 70.33 69.14 3fl9 n THR 36 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 3fl9 n MET 37 N -1.38 1.85 -0.68 1.09 0.00 -0.50 -0.59 117.12 116.90 3fl9 n MET 37 Ca 0.08 0.67 0.00 0.00 0.00 0.00 0.00 57.70 58.45 3fl9 n MET 37 Cb 0.33 -2.40 0.00 0.00 0.00 0.00 0.00 33.22 31.15 3fl9 n MET 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3fl9 n GLY 38 N 3.19 0.84 3.35 -5.12 0.00 -1.21 -5.04 105.19 101.21 3fl9 n GLY 38 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.34 2.33 0.56 1.61 3.76 0.24 -4.88 115.29 115.57 3fl9 s HIS 39 Ca 0.00 -0.40 -0.21 0.00 -0.15 0.00 0.00 55.06 54.30 3fl9 s HIS 39 Cb 0.00 -1.38 -0.05 0.00 1.11 0.00 0.00 32.58 32.25 3fl9 s HIS 39 CO 0.00 0.15 1.16 -2.30 -0.85 0.00 0.00 174.74 172.90 3fl9 n PRO 40 N 1.70 1.31 -3.96 8.40 -0.02 -1.26 -3.99 135.00 137.18 3fl9 n PRO 40 Ca -0.17 0.49 -0.34 0.00 -2.02 0.00 0.00 63.50 61.46 3fl9 n PRO 40 Cb 0.52 -2.35 -0.14 0.00 -0.02 0.00 0.00 33.50 31.51 3fl9 n PRO 40 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fl9 s LEU 41 N -2.56 3.68 -0.49 2.45 1.02 0.22 -2.30 118.68 120.70 3fl9 s LEU 41 Ca 0.73 -1.25 -0.18 0.00 0.02 0.00 0.00 54.13 53.44 3fl9 s LEU 41 Cb -0.44 -1.66 0.06 0.00 0.02 0.00 0.00 46.19 44.17 3fl9 s LEU 41 CO 0.49 -0.22 0.56 -0.63 0.02 0.00 0.00 176.35 176.56 3fl9 s ILE 42 N 1.22 4.97 0.08 -0.59 -1.09 -0.46 -0.37 121.20 124.95 3fl9 s ILE 42 Ca -0.06 -0.60 0.02 0.00 -2.23 0.00 0.00 60.65 57.78 3fl9 s ILE 42 Cb -0.19 -4.24 -0.03 0.00 -1.58 0.00 0.00 42.46 36.41 3fl9 s ILE 42 CO -0.03 -0.72 -0.07 0.00 -1.23 0.00 0.00 174.94 172.89 3fl9 s MET 43 N 2.37 0.72 0.88 2.79 0.23 -0.03 -0.74 119.30 125.52 3fl9 s MET 43 Ca 0.12 -1.10 -0.12 0.00 -1.03 0.00 0.00 55.69 53.56 3fl9 s MET 43 Cb -0.20 -0.26 0.12 0.00 -1.53 0.00 0.00 34.83 32.96 3fl9 s MET 43 CO 0.11 0.02 1.11 0.20 -2.03 0.00 0.00 175.02 174.43 3fl9 s GLY 44 N -2.44 1.59 0.07 3.16 0.00 -1.20 -1.07 107.32 107.44 3fl9 s GLY 44 Ca 0.03 -0.34 -0.25 0.00 0.00 0.00 0.00 44.72 44.16 3fl9 s GLY 44 CO -0.02 0.17 1.64 3.21 0.00 0.00 0.00 173.10 178.10 3fl9 h ARG 45 N -1.43 -0.14 0.00 2.90 3.08 -1.94 0.22 114.38 117.07 3fl9 h ARG 45 Ca -0.50 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3fl9 h ARG 45 Cb 1.31 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.39 3fl9 h ARG 45 CO 0.60 -0.03 0.00 1.63 -1.07 0.00 0.00 179.97 181.10 3fl9 n LYS 46 N -5.12 0.03 0.05 0.04 4.76 -1.26 -0.93 118.16 115.72 3fl9 n LYS 46 Ca -0.08 0.03 -0.22 0.00 -2.87 0.00 0.00 58.31 55.17 3fl9 n LYS 46 Cb 0.11 -1.53 -0.15 0.00 -1.84 0.00 0.00 35.03 31.63 3fl9 n LYS 46 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 3fl9 h ASN 47 N 0.00 0.51 -0.91 4.39 -0.73 -1.85 -2.60 115.58 114.39 3fl9 h ASN 47 Ca 0.00 -0.90 0.01 0.00 1.87 0.00 0.00 56.30 57.28 3fl9 h ASN 47 Cb 0.51 -0.17 -0.05 0.00 0.27 0.00 0.00 38.32 38.89 3fl9 h ASN 47 CO 0.00 1.60 0.60 0.22 -0.37 0.00 0.00 177.43 179.48 3fl9 h TYR 48 N -0.19 1.14 0.00 0.67 3.20 -0.28 0.28 116.97 121.79 3fl9 h TYR 48 Ca -0.26 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.61 3fl9 h TYR 48 Cb 1.84 -0.39 -0.00 0.00 1.54 0.00 0.00 36.73 39.72 3fl9 h TYR 48 CO 0.14 0.71 -0.16 0.93 -1.64 0.00 0.00 178.16 178.15 3fl9 h GLU 49 N 1.23 0.00 0.04 1.82 5.08 -1.15 0.34 114.58 121.94 3fl9 h GLU 49 Ca 0.34 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3fl9 h GLU 49 Cb -0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3fl9 h GLU 49 CO -0.08 0.16 -0.02 0.00 -1.00 0.00 0.00 179.01 178.07 3fl9 h ALA 50 N 1.84 -0.05 -0.40 3.43 0.00 -0.80 -3.15 119.26 120.13 3fl9 h ALA 50 Ca -0.00 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.77 3fl9 h ALA 50 Cb 0.70 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 3fl9 h ALA 50 CO 0.02 -0.31 -0.07 0.82 0.00 0.00 0.00 179.25 179.70 3fl9 h ILE 51 N -0.48 0.63 0.00 0.00 5.03 -0.00 -3.47 117.51 119.21 3fl9 h ILE 51 Ca -0.01 -0.01 0.00 0.00 -0.12 0.00 0.00 64.86 64.73 3fl9 h ILE 51 Cb 0.44 0.60 0.00 0.00 -3.03 0.00 0.00 36.82 34.83 3fl9 h ILE 51 CO 0.01 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.09 3fl9 n GLY 52 N -1.30 3.09 3.20 5.37 0.00 0.11 -5.02 105.19 110.65 3fl9 n GLY 52 Ca 0.02 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 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 1.18 -0.25 1.61 3.03 -1.26 -4.89 118.95 118.37 3fl9 s ARG 53 Ca 0.00 -1.62 -0.29 0.00 2.03 0.00 0.00 55.73 55.85 3fl9 s ARG 53 Cb 0.00 0.27 -0.01 0.00 -1.03 0.00 0.00 34.95 34.18 3fl9 s ARG 53 CO 0.00 -0.38 1.34 -2.14 -1.13 0.00 0.00 175.30 172.99 3fl9 s PRO 54 N -4.15 3.99 -0.17 3.89 0.02 -1.26 -4.98 135.00 132.33 3fl9 s PRO 54 Ca 0.38 1.43 -0.29 0.00 0.02 0.00 0.00 61.00 62.54 3fl9 s PRO 54 Cb 0.07 -3.87 -0.04 0.00 0.02 0.00 0.00 34.50 30.68 3fl9 s PRO 54 CO 0.11 -1.03 1.66 -0.51 -0.33 0.00 0.00 177.00 176.90 3fl9 s LEU 55 N 4.26 3.99 0.13 -5.54 1.43 -1.26 -4.94 118.68 116.75 3fl9 s LEU 55 Ca 0.58 1.81 -0.31 0.00 -1.03 0.00 0.00 54.13 55.18 3fl9 s LEU 55 Cb -0.19 -3.53 -0.08 0.00 0.03 0.00 0.00 46.19 42.42 3fl9 s LEU 55 CO 0.22 -1.21 1.29 -2.84 0.23 0.00 0.00 176.35 174.04 3fl9 s PRO 56 N 4.60 4.39 0.00 1.29 0.02 -1.26 -3.81 135.00 140.23 3fl9 s PRO 56 Ca 0.74 1.96 0.00 0.00 0.02 0.00 0.00 61.00 63.72 3fl9 s PRO 56 Cb -0.28 -3.26 0.00 0.00 0.02 0.00 0.00 34.50 30.98 3fl9 s PRO 56 CO 0.30 -0.30 0.00 0.41 -0.33 0.00 0.00 177.00 177.08 3fl9 n GLY 57 N 2.98 0.76 3.17 0.52 0.00 -1.26 -4.97 105.19 106.38 3fl9 n GLY 57 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.49 0.83 -0.66 1.61 0.52 -1.25 -3.30 118.95 116.20 3fl9 s ARG 58 Ca 0.00 -1.25 -0.27 0.00 -0.52 0.00 0.00 55.73 53.70 3fl9 s ARG 58 Cb 0.00 -0.33 0.01 0.00 0.52 0.00 0.00 34.95 35.15 3fl9 s ARG 58 CO 0.00 0.02 1.53 1.03 0.02 0.00 0.00 175.30 177.90 3fl9 s ARG 59 N -3.35 3.00 -0.37 3.54 0.52 -1.26 -4.89 118.95 116.14 3fl9 s ARG 59 Ca 0.09 0.21 -0.28 0.00 -0.52 0.00 0.00 55.73 55.23 3fl9 s ARG 59 Cb 0.02 -4.25 -0.01 0.00 0.52 0.00 0.00 34.95 31.22 3fl9 s ARG 59 CO -0.03 -2.33 1.73 -0.80 0.02 0.00 0.00 175.30 173.89 3fl9 s ASN 60 N 5.53 5.93 -0.20 0.23 0.02 -1.26 -0.61 114.94 124.57 3fl9 s ASN 60 Ca 0.50 1.12 -0.02 0.00 -1.02 0.00 0.00 52.86 53.45 3fl9 s ASN 60 Cb -0.10 -2.53 0.00 0.00 0.02 0.00 0.00 41.25 38.64 3fl9 s ASN 60 CO 0.19 -1.71 -0.11 -0.63 0.02 0.00 0.00 177.10 174.86 3fl9 s ILE 61 N 6.79 2.86 0.11 0.60 1.01 0.50 0.19 121.20 133.25 3fl9 s ILE 61 Ca 0.75 -0.67 0.05 0.00 0.00 0.00 0.00 60.65 60.78 3fl9 s ILE 61 Cb -0.20 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 3fl9 s ILE 61 CO 0.32 0.47 0.04 -0.63 0.00 0.00 0.00 174.94 175.15 3fl9 s ILE 62 N 1.37 4.19 -0.19 2.92 1.01 0.95 -0.85 121.20 130.60 3fl9 s ILE 62 Ca 0.05 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.71 3fl9 s ILE 62 Cb -0.14 -3.04 0.02 0.00 0.01 0.00 0.00 42.46 39.32 3fl9 s ILE 62 CO -0.07 0.05 -0.19 -0.69 0.00 0.00 0.00 174.94 174.05 3fl9 s VAL 63 N -1.46 2.07 -0.06 2.92 1.01 -0.23 0.32 120.40 124.98 3fl9 s VAL 63 Ca 0.28 -1.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 3fl9 s VAL 63 Cb -0.11 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.38 3fl9 s VAL 63 CO 0.20 0.47 0.26 0.28 0.00 0.00 0.00 175.10 176.31 3fl9 s THR 64 N 1.27 0.03 0.03 3.92 -1.32 -0.52 -3.43 115.64 115.62 3fl9 s THR 64 Ca 0.03 -0.27 -0.34 0.00 -1.21 0.00 0.00 61.69 59.90 3fl9 s THR 64 Cb -0.14 -0.46 -0.17 0.00 -1.51 0.00 0.00 72.50 70.22 3fl9 s THR 64 CO -0.12 -0.15 0.87 -1.14 -2.21 0.00 0.00 174.62 171.87 3fl9 n ARG 65 N 2.16 0.00 -1.09 7.08 0.63 -1.26 -4.08 116.66 120.10 3fl9 n ARG 65 Ca -0.17 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.69 3fl9 n ARG 65 Cb 0.57 -1.26 -0.04 0.00 0.45 0.00 0.00 32.46 32.18 3fl9 n ARG 65 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3fl9 n ASN 66 N 1.43 -0.78 0.00 6.15 4.13 -1.26 -4.63 115.26 120.30 3fl9 n ASN 66 Ca 0.18 -1.59 0.00 0.00 1.68 0.00 0.00 54.58 54.84 3fl9 n ASN 66 Cb 0.10 -0.75 0.00 0.00 -1.54 0.00 0.00 39.78 37.59 3fl9 n ASN 66 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3fl9 n GLU 67 N 5.48 0.89 -2.56 3.52 4.07 -1.26 -5.08 120.64 125.70 3fl9 n GLU 67 Ca 0.14 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 57.12 3fl9 n GLU 67 Cb 0.44 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.85 3fl9 n GLU 67 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3fl9 n GLY 68 N 3.09 3.38 3.57 8.31 0.00 -1.26 -5.05 105.19 117.22 3fl9 n GLY 68 Ca 0.00 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 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 -3.53 3.04 -0.10 1.61 5.04 -1.26 -5.03 117.35 117.12 3fl9 s TYR 69 Ca 0.36 0.38 0.02 0.00 -2.44 0.00 0.00 57.07 55.38 3fl9 s TYR 69 Cb 0.39 -3.57 0.01 0.00 0.35 0.00 0.00 41.96 39.14 3fl9 s TYR 69 CO -0.03 -0.88 -0.16 -1.01 -1.34 0.00 0.00 175.55 172.14 3fl9 s HIS 70 N 3.25 1.95 0.04 4.97 3.76 -1.26 -4.85 115.29 123.15 3fl9 s HIS 70 Ca 0.31 -0.87 0.05 0.00 -0.15 0.00 0.00 55.06 54.41 3fl9 s HIS 70 Cb -0.12 -1.39 -0.02 0.00 1.11 0.00 0.00 32.58 32.15 3fl9 s HIS 70 CO 0.20 -0.43 -0.15 0.54 -0.85 0.00 0.00 174.74 174.05 3fl9 s VAL 71 N 0.83 1.21 0.45 -0.90 0.11 -1.26 -5.13 120.40 115.70 3fl9 s VAL 71 Ca -0.10 -1.04 -0.23 0.00 -2.93 0.00 0.00 61.98 57.69 3fl9 s VAL 71 Cb -0.15 -1.09 -0.08 0.00 -1.53 0.00 0.00 36.38 33.53 3fl9 s VAL 71 CO 0.01 0.04 1.09 -0.70 -3.33 0.00 0.00 175.10 172.20 3fl9 s GLU 72 N -1.16 3.91 0.00 1.54 2.56 -1.26 -3.21 118.70 121.09 3fl9 s GLU 72 Ca 0.03 1.56 0.00 0.00 0.00 0.00 0.00 54.97 56.56 3fl9 s GLU 72 Cb -0.08 -2.37 0.00 0.00 2.00 0.00 0.00 34.13 33.68 3fl9 s GLU 72 CO 0.01 -0.37 0.00 0.41 -0.56 0.00 0.00 175.26 174.75 3fl9 n GLY 73 N 0.23 0.86 3.29 -1.50 0.00 -1.26 -4.87 105.19 101.94 3fl9 n GLY 73 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.81 3.78 -0.28 0.00 2.02 0.49 -4.67 118.70 118.24 3fl9 s GLU 75 Ca 0.07 0.21 0.01 0.00 0.02 0.00 0.00 54.97 55.28 3fl9 s GLU 75 Cb -0.10 -3.08 0.06 0.00 0.10 0.00 0.00 34.13 31.10 3fl9 s GLU 75 CO 0.04 0.62 -0.05 0.08 0.02 0.00 0.00 175.26 175.97 3fl9 s VAL 76 N -1.27 2.60 0.13 2.63 1.01 -1.26 -0.03 120.40 124.20 3fl9 s VAL 76 Ca 0.29 -1.51 0.05 0.00 0.00 0.00 0.00 61.98 60.80 3fl9 s VAL 76 Cb -0.15 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 3fl9 s VAL 76 CO 0.16 -0.08 0.08 0.00 0.00 0.00 0.00 175.10 175.26 3fl9 s ALA 77 N 1.18 3.49 0.00 5.51 0.00 0.15 -4.95 121.76 127.15 3fl9 s ALA 77 Ca -0.07 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.75 3fl9 s ALA 77 Cb -0.20 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.59 3fl9 s ALA 77 CO -0.03 0.62 0.47 0.72 0.00 0.00 0.00 175.76 177.54 3fl9 n HIS 78 N 0.09 0.00 -4.10 0.00 8.25 -1.26 -1.44 115.22 116.76 3fl9 n HIS 78 Ca -0.09 -0.06 -0.10 0.00 -0.26 0.00 0.00 57.72 57.21 3fl9 n HIS 78 Cb 0.53 -0.01 -0.08 0.00 1.12 0.00 0.00 29.99 31.56 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 -0.12 0.03 0.06 0.41 0.01 -1.26 -4.28 113.70 108.55 3fl9 s SER 79 Ca 0.00 -1.15 -0.14 0.00 1.31 0.00 0.00 55.95 55.96 3fl9 s SER 79 Cb 0.00 0.48 -0.26 0.00 0.21 0.00 0.00 66.02 66.45 3fl9 s SER 79 CO 0.00 -0.98 1.15 0.58 0.41 0.00 0.00 173.24 174.39 3fl9 h VAL 80 N 2.45 1.28 0.00 3.43 2.07 -1.97 -2.76 116.25 120.74 3fl9 h VAL 80 Ca -0.31 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 64.87 3fl9 h VAL 80 Cb 1.25 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 33.55 3fl9 h VAL 80 CO 0.45 0.72 0.00 -1.84 0.02 0.00 0.00 177.57 176.92 3fl9 n GLU 81 N -3.83 0.43 -0.03 1.57 0.28 -1.26 -0.95 120.64 116.85 3fl9 n GLU 81 Ca -0.12 0.06 -0.20 0.00 -0.16 0.00 0.00 57.16 56.74 3fl9 n GLU 81 Cb 0.93 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 32.17 3fl9 n GLU 81 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 3fl9 h GLU 82 N 0.00 0.14 -0.24 3.44 4.39 -1.91 -3.04 114.58 117.36 3fl9 h GLU 82 Ca 0.00 -0.23 -0.12 0.00 0.34 0.00 0.00 59.36 59.35 3fl9 h GLU 82 Cb 0.12 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 3fl9 h GLU 82 CO 0.00 1.11 -0.34 0.28 -1.16 0.00 0.00 179.01 178.90 3fl9 h VAL 83 N -0.63 1.29 0.00 3.13 2.07 -1.14 0.74 116.25 121.70 3fl9 h VAL 83 Ca -0.24 -1.45 -0.11 0.00 0.82 0.00 0.00 66.70 65.73 3fl9 h VAL 83 Cb 1.48 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 3fl9 h VAL 83 CO -0.01 0.46 -0.50 -0.26 0.02 0.00 0.00 177.57 177.27 3fl9 h PHE 84 N 0.44 0.00 -0.20 1.57 0.04 -1.21 0.45 116.94 118.03 3fl9 h PHE 84 Ca 0.05 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.62 3fl9 h PHE 84 Cb 0.80 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.96 3fl9 h PHE 84 CO 0.03 0.50 -0.65 1.49 -0.60 0.00 0.00 178.31 179.08 3fl9 h GLU 85 N 0.00 0.79 -0.10 1.51 4.57 -1.35 -2.24 114.58 117.76 3fl9 h GLU 85 Ca -0.01 -0.58 -0.06 0.00 -1.18 0.00 0.00 59.36 57.53 3fl9 h GLU 85 Cb 1.01 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 3fl9 h GLU 85 CO 0.07 1.20 -0.17 -0.07 -1.18 0.00 0.00 179.01 178.85 3fl9 h LEU 86 N 0.53 0.32 -2.80 1.64 3.38 -0.57 -3.12 115.31 114.68 3fl9 h LEU 86 Ca -0.02 -0.55 -0.19 0.00 0.09 0.00 0.00 57.88 57.21 3fl9 h LEU 86 Cb 1.27 -0.09 -0.11 0.00 0.09 0.00 0.00 40.66 41.82 3fl9 h LEU 86 CO 0.14 0.81 0.24 0.00 0.09 0.00 0.00 178.44 179.71 3fl9 h LYS 88 N 0.96 0.00 -0.12 0.00 3.64 -1.34 -2.40 116.57 117.31 3fl9 h LYS 88 Ca 0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3fl9 h LYS 88 Cb 1.75 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.57 3fl9 h LYS 88 CO 0.47 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.74 3fl9 n ASN 89 N -3.03 2.33 -4.91 4.20 3.02 -1.26 -5.05 115.26 110.56 3fl9 n ASN 89 Ca -0.02 -2.02 -0.27 0.00 -0.03 0.00 0.00 54.58 52.23 3fl9 n ASN 89 Cb 0.13 -0.09 -0.02 0.00 -0.61 0.00 0.00 39.78 39.19 3fl9 n ASN 89 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3fl9 s GLU 90 N -1.04 3.60 -0.02 3.52 0.41 -0.91 -5.01 118.70 119.25 3fl9 s GLU 90 Ca 0.08 0.03 0.16 0.00 -0.41 0.00 0.00 54.97 54.83 3fl9 s GLU 90 Cb 0.05 -2.56 -0.20 0.00 -1.78 0.00 0.00 34.13 29.64 3fl9 s GLU 90 CO 0.05 0.08 0.63 -0.85 -0.49 0.00 0.00 175.26 174.68 3fl9 n GLU 91 N -1.45 0.64 -3.17 1.61 0.00 -1.26 -4.69 120.64 112.31 3fl9 n GLU 91 Ca -0.01 0.18 0.05 0.00 0.00 0.00 0.00 57.16 57.37 3fl9 n GLU 91 Cb 0.55 -1.74 -0.02 0.00 0.00 0.00 0.00 31.44 30.23 3fl9 n GLU 91 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 3fl9 s GLU 92 N -2.79 0.30 0.16 3.44 2.12 -1.26 -2.30 118.70 118.36 3fl9 s GLU 92 Ca -0.05 0.54 0.05 0.00 0.36 0.00 0.00 54.97 55.87 3fl9 s GLU 92 Cb 0.08 0.30 -0.04 0.00 0.26 0.00 0.00 34.13 34.74 3fl9 s GLU 92 CO 0.82 -0.31 0.15 0.96 -0.54 0.00 0.00 175.26 176.34 3fl9 s ILE 93 N 2.90 4.57 -0.21 -3.70 -4.36 -0.34 -4.30 121.20 115.76 3fl9 s ILE 93 Ca 0.05 -1.02 0.00 0.00 -0.26 0.00 0.00 60.65 59.42 3fl9 s ILE 93 Cb -0.11 -3.32 0.02 0.00 1.25 0.00 0.00 42.46 40.30 3fl9 s ILE 93 CO -0.14 -0.09 -0.15 -0.36 0.24 0.00 0.00 174.94 174.44 3fl9 s PHE 94 N -1.72 2.92 0.04 1.37 0.08 -0.97 -0.38 117.98 119.31 3fl9 s PHE 94 Ca 0.31 -1.66 -0.31 0.00 0.12 0.00 0.00 56.93 55.40 3fl9 s PHE 94 Cb -0.10 -1.96 -0.06 0.00 -0.57 0.00 0.00 43.02 40.32 3fl9 s PHE 94 CO 0.24 -0.78 1.39 0.42 -0.10 0.00 0.00 175.22 176.39 3fl9 s ILE 95 N 1.29 3.59 -0.14 0.64 -1.09 0.30 -1.36 121.20 124.42 3fl9 s ILE 95 Ca 0.02 1.05 -0.12 0.00 -2.23 0.00 0.00 60.65 59.37 3fl9 s ILE 95 Cb -0.15 -3.67 -0.06 0.00 -1.58 0.00 0.00 42.46 37.00 3fl9 s ILE 95 CO -0.09 0.03 -0.26 0.33 -1.23 0.00 0.00 174.94 173.71 3fl9 n PHE 96 N 4.88 0.00 -3.95 3.97 7.35 0.08 0.52 117.46 130.30 3fl9 n PHE 96 Ca 0.12 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.72 3fl9 n PHE 96 Cb 0.43 -0.50 -0.06 0.00 0.35 0.00 0.00 39.48 39.70 3fl9 n PHE 96 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3fl9 s GLY 97 N -4.93 0.46 0.00 7.13 0.00 -1.25 -4.59 107.32 104.14 3fl9 s GLY 97 Ca -0.24 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 43.65 3fl9 s GLY 97 CO 0.33 -0.74 0.00 0.61 0.00 0.00 0.00 173.10 173.30 3fl9 n GLY 98 N -0.27 -0.66 0.30 0.20 0.00 -1.26 -3.25 105.19 100.25 3fl9 n GLY 98 Ca -0.06 -0.90 -0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 0.00 1.39 0.00 4.61 0.00 -1.98 0.40 119.26 123.67 3fl9 h ALA 99 Ca 0.00 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 3fl9 h ALA 99 Cb 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3fl9 h ALA 99 CO 0.00 0.45 -0.56 1.96 0.00 0.00 0.00 179.25 181.10 3fl9 h GLN 100 N 0.67 0.00 -0.30 0.00 4.20 -1.93 -1.94 115.11 115.81 3fl9 h GLN 100 Ca 0.16 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.76 3fl9 h GLN 100 Cb 0.19 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3fl9 h GLN 100 CO -0.01 0.56 -0.25 0.82 -0.67 0.00 0.00 178.83 179.28 3fl9 h ILE 101 N 0.00 1.27 -0.40 2.54 1.08 -1.34 0.11 117.51 120.78 3fl9 h ILE 101 Ca -0.01 -1.32 -0.12 0.00 -0.39 0.00 0.00 64.86 63.02 3fl9 h ILE 101 Cb 1.14 1.31 -0.01 0.00 -3.07 0.00 0.00 36.82 36.18 3fl9 h ILE 101 CO 0.07 0.43 -0.25 1.88 -0.69 0.00 0.00 178.15 179.59 3fl9 h TYR 102 N 0.52 0.94 -0.33 1.37 0.05 -0.71 -2.59 116.97 116.24 3fl9 h TYR 102 Ca 0.07 -0.23 -0.08 0.00 0.05 0.00 0.00 58.73 58.55 3fl9 h TYR 102 Cb 0.71 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 38.21 3fl9 h TYR 102 CO 0.03 0.99 -0.12 -0.44 -1.05 0.00 0.00 178.16 177.56 3fl9 h ASP 103 N 0.71 0.55 -0.69 3.88 3.32 -1.01 0.10 116.42 123.29 3fl9 h ASP 103 Ca 0.09 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 3fl9 h ASP 103 Cb 0.79 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 3fl9 h ASP 103 CO 0.06 0.71 0.12 -0.07 -1.72 0.00 0.00 179.24 178.34 3fl9 h LEU 104 N 0.52 1.08 -3.09 1.55 3.38 -0.56 -3.04 115.31 115.15 3fl9 h LEU 104 Ca 0.09 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3fl9 h LEU 104 Cb 0.52 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3fl9 h LEU 104 CO 0.03 1.06 0.00 0.49 0.09 0.00 0.00 178.44 180.11 3fl9 n PHE 105 N -4.21 1.09 -0.17 1.13 3.72 -0.99 -4.50 117.46 113.51 3fl9 n PHE 105 Ca 0.05 -0.64 -0.09 0.00 -0.05 0.00 0.00 57.45 56.72 3fl9 n PHE 105 Cb 0.29 -0.20 0.01 0.00 -0.94 0.00 0.00 39.48 38.64 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 3.06 0.75 -1.01 4.37 5.85 -0.68 -3.03 115.31 124.62 3fl9 h LEU 106 Ca 0.00 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3fl9 h LEU 106 Cb 1.25 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.08 3fl9 h LEU 106 CO 0.16 0.78 0.00 -2.65 -0.34 0.00 0.00 178.44 176.39 3fl9 n PRO 107 N -4.47 0.13 0.00 5.25 -0.02 -1.26 -3.10 135.00 131.52 3fl9 n PRO 107 Ca 0.01 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3fl9 n PRO 107 Cb 0.22 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 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 -2.12 0.00 -2.27 6.00 4.01 -1.17 -5.06 117.16 116.54 3fl9 n TYR 108 Ca -0.00 -0.17 -0.41 0.00 -0.16 0.00 0.00 57.90 57.16 3fl9 n TYR 108 Cb 0.08 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.06 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 -0.34 3.34 -0.07 -0.72 0.11 -1.16 -4.53 120.40 117.04 3fl9 s VAL 109 Ca 0.00 1.11 0.00 0.00 -2.93 0.00 0.00 61.98 60.16 3fl9 s VAL 109 Cb 0.00 -3.71 -0.04 0.00 -1.53 0.00 0.00 36.38 31.10 3fl9 s VAL 109 CO 0.00 0.17 -0.06 0.47 -3.33 0.00 0.00 175.10 172.35 3fl9 n ASP 110 N 2.57 3.21 -4.28 3.54 8.00 -0.82 -4.91 116.55 123.85 3fl9 n ASP 110 Ca 0.05 -0.02 -0.20 0.00 0.71 0.00 0.00 54.79 55.33 3fl9 n ASP 110 Cb 0.43 -0.11 -0.11 0.00 -0.02 0.00 0.00 41.12 41.31 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 -2.13 1.12 -0.08 -1.24 2.20 -1.23 -1.29 119.74 117.09 3fl9 s LYS 111 Ca -0.09 -1.26 0.01 0.00 -0.36 0.00 0.00 55.97 54.27 3fl9 s LYS 111 Cb 0.02 -1.14 0.02 0.00 -1.51 0.00 0.00 37.83 35.22 3fl9 s LYS 111 CO 0.15 0.24 -0.10 -0.51 -0.36 0.00 0.00 175.35 174.76 3fl9 s LEU 112 N -2.37 1.46 -0.64 5.43 1.43 0.37 -1.78 118.68 122.57 3fl9 s LEU 112 Ca 0.10 -0.30 -0.05 0.00 -1.03 0.00 0.00 54.13 52.86 3fl9 s LEU 112 Cb -0.07 -0.82 0.17 0.00 0.03 0.00 0.00 46.19 45.50 3fl9 s LEU 112 CO 0.04 -0.03 0.47 -0.31 0.23 0.00 0.00 176.35 176.76 3fl9 s TYR 113 N 1.09 3.46 -0.21 0.29 1.51 0.63 -0.67 117.35 123.46 3fl9 s TYR 113 Ca -0.06 -2.58 -0.08 0.00 -1.01 0.00 0.00 57.07 53.33 3fl9 s TYR 113 Cb -0.14 -3.29 -0.04 0.00 -0.11 0.00 0.00 41.96 38.37 3fl9 s TYR 113 CO -0.01 -0.87 0.09 0.42 -1.11 0.00 0.00 175.55 174.06 3fl9 s ILE 114 N 0.06 4.82 -0.21 2.71 1.01 -0.22 -2.29 121.20 127.08 3fl9 s ILE 114 Ca 0.16 -0.01 -0.10 0.00 0.00 0.00 0.00 60.65 60.70 3fl9 s ILE 114 Cb -0.19 -3.21 -0.05 0.00 0.01 0.00 0.00 42.46 39.02 3fl9 s ILE 114 CO -0.04 0.41 0.13 -0.89 0.00 0.00 0.00 174.94 174.54 3fl9 s THR 115 N 0.81 5.28 -0.24 2.92 2.01 0.09 -0.29 115.64 126.22 3fl9 s THR 115 Ca 0.05 0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.22 3fl9 s THR 115 Cb -0.13 -3.42 0.05 0.00 0.01 0.00 0.00 72.50 69.00 3fl9 s THR 115 CO 0.02 0.42 -0.13 -0.54 -0.69 0.00 0.00 174.62 173.70 3fl9 s LYS 116 N 0.57 2.45 -0.06 4.92 1.02 -0.61 0.17 119.74 128.20 3fl9 s LYS 116 Ca 0.07 -1.20 -0.20 0.00 0.02 0.00 0.00 55.97 54.65 3fl9 s LYS 116 Cb -0.12 -2.81 -0.05 0.00 -0.52 0.00 0.00 37.83 34.34 3fl9 s LYS 116 CO 0.00 -0.47 0.58 0.42 -0.92 0.00 0.00 175.35 174.96 3fl9 s ILE 117 N 1.16 5.04 -1.13 2.17 1.09 -1.23 -1.99 121.20 126.30 3fl9 s ILE 117 Ca -0.05 1.20 -0.06 0.00 -1.10 0.00 0.00 60.65 60.64 3fl9 s ILE 117 Cb -0.18 -3.92 0.05 0.00 -1.06 0.00 0.00 42.46 37.35 3fl9 s ILE 117 CO -0.07 0.35 2.63 1.41 -0.10 0.00 0.00 174.94 179.16 3fl9 n HIS 118 N 3.30 2.22 -3.73 3.97 8.25 0.28 -2.63 115.22 126.88 3fl9 n HIS 118 Ca -0.05 -2.62 -0.10 0.00 -0.26 0.00 0.00 57.72 54.68 3fl9 n HIS 118 Cb 0.51 -1.85 -0.05 0.00 1.12 0.00 0.00 29.99 29.73 3fl9 n HIS 118 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3fl9 s HIS 119 N -0.58 -0.06 -0.30 4.41 5.65 -1.26 -4.81 115.29 118.35 3fl9 s HIS 119 Ca 0.58 -0.28 -0.01 0.00 0.25 0.00 0.00 55.06 55.60 3fl9 s HIS 119 Cb 0.23 0.21 0.05 0.00 -1.18 0.00 0.00 32.58 31.89 3fl9 s HIS 119 CO -0.11 -0.74 -0.01 0.00 -0.65 0.00 0.00 174.74 173.23 3fl9 s ALA 120 N -3.85 2.79 0.06 1.58 0.00 -1.26 -3.35 121.76 117.73 3fl9 s ALA 120 Ca 0.07 -1.77 0.01 0.00 0.00 0.00 0.00 51.96 50.26 3fl9 s ALA 120 Cb 0.02 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 3fl9 s ALA 120 CO -0.08 -1.27 0.18 -0.06 0.00 0.00 0.00 175.76 174.53 3fl9 s PHE 121 N 1.23 3.44 -1.10 0.00 0.40 -1.26 -5.02 117.98 115.67 3fl9 s PHE 121 Ca -0.05 0.21 -0.22 0.00 -0.60 0.00 0.00 56.93 56.27 3fl9 s PHE 121 Cb -0.20 -1.73 -0.00 0.00 0.51 0.00 0.00 43.02 41.60 3fl9 s PHE 121 CO -0.02 0.58 1.76 -2.00 0.70 0.00 0.00 175.22 176.24 3fl9 s GLU 122 N -2.46 3.17 0.20 0.44 2.56 -1.26 -4.93 118.70 116.43 3fl9 s GLU 122 Ca 0.33 -1.16 0.02 0.00 0.00 0.00 0.00 54.97 54.16 3fl9 s GLU 122 Cb -0.13 -5.31 0.02 0.00 2.00 0.00 0.00 34.13 30.71 3fl9 s GLU 122 CO 0.26 -2.95 0.13 0.41 -0.56 0.00 0.00 175.26 172.56 3fl9 n GLY 123 N 6.23 3.07 0.00 -1.50 0.00 -1.26 -4.81 105.19 106.92 3fl9 n GLY 123 Ca 0.42 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 44.21 3fl9 n GLY 123 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fl9 n ASP 124 N -1.83 0.16 -4.70 1.61 5.68 -0.83 -4.94 116.55 111.71 3fl9 n ASP 124 Ca -0.02 0.00 -0.39 0.00 -0.50 0.00 0.00 54.79 53.89 3fl9 n ASP 124 Cb 0.23 0.01 -0.06 0.00 -1.14 0.00 0.00 41.12 40.17 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 -1.03 5.14 0.10 2.12 -4.23 -1.06 -5.04 115.64 111.63 3fl9 s THR 125 Ca 0.00 1.01 0.09 0.00 -1.18 0.00 0.00 61.69 61.61 3fl9 s THR 125 Cb 0.00 -3.85 -0.03 0.00 1.34 0.00 0.00 72.50 69.95 3fl9 s THR 125 CO 0.00 0.26 -0.24 -0.36 -0.54 0.00 0.00 174.62 173.74 3fl9 s PHE 126 N 1.05 2.04 -0.03 3.99 0.40 -1.26 -1.97 117.98 122.19 3fl9 s PHE 126 Ca 0.26 -0.40 -0.30 0.00 -0.60 0.00 0.00 56.93 55.90 3fl9 s PHE 126 Cb -0.15 -1.14 -0.02 0.00 0.51 0.00 0.00 43.02 42.21 3fl9 s PHE 126 CO 0.11 0.22 0.99 0.12 0.70 0.00 0.00 175.22 177.36 3fl9 s PHE 127 N -1.03 3.62 0.98 0.36 5.36 -1.11 -4.73 117.98 121.43 3fl9 s PHE 127 Ca 0.10 1.67 -0.15 0.00 -0.96 0.00 0.00 56.93 57.58 3fl9 s PHE 127 Cb -0.10 -3.14 -0.04 0.00 -0.34 0.00 0.00 43.02 39.40 3fl9 s PHE 127 CO 0.04 -0.07 -0.16 -2.30 -1.46 0.00 0.00 175.22 171.27 3fl9 n PRO 128 N 4.22 -0.24 -3.83 10.12 -0.02 -1.26 -4.96 135.00 139.04 3fl9 n PRO 128 Ca 0.07 -0.05 -0.21 0.00 -2.02 0.00 0.00 63.50 61.29 3fl9 n PRO 128 Cb 0.50 -1.48 -0.02 0.00 -0.02 0.00 0.00 33.50 32.48 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 -2.93 3.10 0.00 -0.52 2.02 -1.26 -5.13 118.70 113.98 3fl9 s GLU 129 Ca 0.49 -1.00 0.00 0.00 0.02 0.00 0.00 54.97 54.48 3fl9 s GLU 129 Cb -0.18 -2.72 0.00 0.00 0.10 0.00 0.00 34.13 31.33 3fl9 s GLU 129 CO 0.73 0.25 0.00 -1.33 0.02 0.00 0.00 175.26 174.94 3fl9 n MET 130 N -1.42 0.00 -2.63 1.61 2.81 -1.26 -5.18 117.12 111.05 3fl9 n MET 130 Ca -0.05 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.63 3fl9 n MET 130 Cb 0.58 0.00 0.04 0.00 -0.71 0.00 0.00 33.22 33.13 3fl9 n MET 130 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 3fl9 s ASP 131 N 0.96 5.20 -0.85 7.83 1.47 -1.26 -5.11 116.67 124.91 3fl9 s ASP 131 Ca 0.00 -0.04 -0.01 0.00 1.18 0.00 0.00 52.55 53.68 3fl9 s ASP 131 Cb 0.00 -0.81 0.21 0.00 -0.34 0.00 0.00 42.92 41.98 3fl9 s ASP 131 CO 0.00 -1.20 0.71 -0.32 0.68 0.00 0.00 175.17 175.04 3fl9 s MET 132 N -4.80 3.11 0.35 2.11 1.75 -1.26 -5.09 119.30 115.48 3fl9 s MET 132 Ca 0.58 -3.22 0.00 0.00 -1.25 0.00 0.00 55.69 51.80 3fl9 s MET 132 Cb -0.10 -3.87 0.00 0.00 2.84 0.00 0.00 34.83 33.70 3fl9 s MET 132 CO 0.39 -1.26 0.00 0.91 -0.65 0.00 0.00 175.02 174.41 3fl9 n TRP 135 N 2.39 -0.90 -3.80 4.11 7.02 -1.26 -5.10 117.44 119.91 3fl9 n TRP 135 Ca 0.20 0.48 -0.30 0.00 -1.02 0.00 0.00 57.50 56.86 3fl9 n TRP 135 Cb 0.37 -0.97 -0.15 0.00 -2.42 0.00 0.00 31.31 28.14 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 -1.40 0.91 0.02 -0.99 2.20 -0.88 -4.79 119.74 114.81 3fl9 s LYS 136 Ca 0.00 -1.15 -0.30 0.00 -0.36 0.00 0.00 55.97 54.16 3fl9 s LYS 136 Cb 0.00 -2.25 -0.09 0.00 -1.51 0.00 0.00 37.83 33.98 3fl9 s LYS 136 CO 0.00 -0.92 1.99 -1.91 -0.36 0.00 0.00 175.35 174.15 3fl9 n GLU 137 N 4.75 2.82 -0.02 4.03 2.13 -1.26 -1.56 120.64 131.52 3fl9 n GLU 137 Ca -0.02 1.03 0.01 0.00 0.66 0.00 0.00 57.16 58.84 3fl9 n GLU 137 Cb 0.43 -3.01 -0.08 0.00 0.27 0.00 0.00 31.44 29.04 3fl9 n GLU 137 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 3fl9 n VAL 138 N 5.64 0.27 -3.83 6.31 3.14 0.02 -4.96 118.33 124.92 3fl9 n VAL 138 Ca 0.21 -0.32 -0.12 0.00 -2.96 0.00 0.00 64.34 61.15 3fl9 n VAL 138 Cb 0.41 -0.13 -0.11 0.00 -1.06 0.00 0.00 33.84 32.95 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 -2.56 -0.13 -0.20 1.45 5.36 -1.18 -5.01 117.98 115.70 3fl9 s PHE 139 Ca -0.04 0.30 -0.11 0.00 -0.96 0.00 0.00 56.93 56.12 3fl9 s PHE 139 Cb 0.05 0.04 0.07 0.00 -0.34 0.00 0.00 43.02 42.84 3fl9 s PHE 139 CO 0.44 -0.16 0.48 0.54 -1.46 0.00 0.00 175.22 175.06 3fl9 s VAL 140 N -0.38 -0.10 0.04 3.12 0.11 -1.26 -0.43 120.40 121.50 3fl9 s VAL 140 Ca -0.05 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 3fl9 s VAL 140 Cb -0.03 -0.71 -0.03 0.00 -1.53 0.00 0.00 36.38 34.08 3fl9 s VAL 140 CO 0.01 0.03 -0.04 -0.70 -3.33 0.00 0.00 175.10 171.07 3fl9 s GLU 141 N 1.60 0.48 -0.08 1.54 2.12 -0.06 -4.98 118.70 119.31 3fl9 s GLU 141 Ca -0.09 -0.88 -0.22 0.00 0.36 0.00 0.00 54.97 54.14 3fl9 s GLU 141 Cb -0.08 0.06 -0.04 0.00 0.26 0.00 0.00 34.13 34.33 3fl9 s GLU 141 CO -0.15 -0.05 0.62 -1.59 -0.54 0.00 0.00 175.26 173.55 3fl9 s LYS 142 N -2.45 4.40 0.21 4.30 0.00 -1.26 0.35 119.74 125.29 3fl9 s LYS 142 Ca -0.06 0.73 -0.30 0.00 0.00 0.00 0.00 55.97 56.34 3fl9 s LYS 142 Cb -0.03 -3.44 -0.08 0.00 0.00 0.00 0.00 37.83 34.27 3fl9 s LYS 142 CO -0.04 0.10 0.99 0.20 0.00 0.00 0.00 175.35 176.60 3fl9 s GLY 143 N 0.73 3.05 -0.15 0.59 0.00 0.14 -4.87 107.32 106.82 3fl9 s GLY 143 Ca 0.33 0.68 -0.31 0.00 0.00 0.00 0.00 44.72 45.42 3fl9 s GLY 143 CO 0.15 1.36 2.07 -0.10 0.00 0.00 0.00 173.10 176.59 3fl9 n LEU 144 N 1.85 3.34 -4.20 0.66 7.94 -1.26 -4.54 117.00 120.79 3fl9 n LEU 144 Ca -0.00 0.59 -0.37 0.00 -1.11 0.00 0.00 56.01 55.12 3fl9 n LEU 144 Cb 0.47 -1.46 -0.12 0.00 0.53 0.00 0.00 43.42 42.85 3fl9 n LEU 144 CO 0.51 -0.33 -0.20 -0.89 -1.11 0.00 0.00 177.39 175.38 3fl9 s THR 145 N 6.20 3.58 0.00 1.96 2.01 -1.26 -4.76 115.64 123.36 3fl9 s THR 145 Ca 0.97 -1.60 0.00 0.00 0.31 0.00 0.00 61.69 61.37 3fl9 s THR 145 Cb -0.53 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 68.74 3fl9 s THR 145 CO 0.43 -0.45 0.00 0.47 -0.69 0.00 0.00 174.62 174.38 3fl9 n ASP 146 N 4.73 1.82 0.24 3.53 8.00 -1.01 -4.93 116.55 128.93 3fl9 n ASP 146 Ca -0.08 -0.54 0.10 0.00 0.71 0.00 0.00 54.79 54.98 3fl9 n ASP 146 Cb 0.43 0.00 0.60 0.00 -0.02 0.00 0.00 41.12 42.12 3fl9 n ASP 146 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3fl9 h GLU 147 N 0.00 0.00 -0.01 -1.24 3.07 -2.00 -2.15 114.58 112.25 3fl9 h GLU 147 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3fl9 h GLU 147 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3fl9 h GLU 147 CO 0.00 0.19 -0.43 1.63 -1.40 0.00 0.00 179.01 179.00 3fl9 n LYS 148 N -3.64 0.81 -3.34 2.33 5.02 -1.26 -4.33 118.16 113.75 3fl9 n LYS 148 Ca -0.01 -0.58 -0.26 0.00 -2.02 0.00 0.00 58.31 55.44 3fl9 n LYS 148 Cb 0.32 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.75 3fl9 n LYS 148 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3fl9 n ASN 149 N -0.59 0.94 -0.97 4.39 3.02 -0.82 -4.55 115.26 116.68 3fl9 n ASN 149 Ca 0.10 -2.80 0.00 0.00 -0.03 0.00 0.00 54.58 51.84 3fl9 n ASN 149 Cb 0.39 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 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 1.69 0.46 -3.85 3.52 -0.02 -1.14 -2.41 135.00 133.24 3fl9 n PRO 150 Ca 0.25 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.62 3fl9 n PRO 150 Cb 0.48 -1.27 -0.09 0.00 -0.02 0.00 0.00 33.50 32.60 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 0.46 0.06 -0.13 6.00 2.02 -1.26 -5.07 117.35 119.43 3fl9 s TYR 151 Ca 0.00 -0.26 -0.16 0.00 -0.37 0.00 0.00 57.07 56.29 3fl9 s TYR 151 Cb 0.00 -0.04 -0.04 0.00 -0.40 0.00 0.00 41.96 41.48 3fl9 s TYR 151 CO 0.00 -0.40 0.39 -0.08 -1.57 0.00 0.00 175.55 173.88 3fl9 s THR 152 N -2.37 5.23 0.19 -0.71 -1.32 -1.26 -4.57 115.64 110.83 3fl9 s THR 152 Ca -0.07 0.75 -0.23 0.00 -1.21 0.00 0.00 61.69 60.94 3fl9 s THR 152 Cb -0.02 -3.72 0.05 0.00 -1.51 0.00 0.00 72.50 67.30 3fl9 s THR 152 CO -0.03 0.38 0.67 -0.72 -2.21 0.00 0.00 174.62 172.70 3fl9 s TYR 153 N 0.41 -0.40 0.02 9.09 -0.85 -1.26 -0.56 117.35 123.80 3fl9 s TYR 153 Ca 0.21 0.10 0.02 0.00 -0.52 0.00 0.00 57.07 56.89 3fl9 s TYR 153 Cb -0.14 0.61 -0.02 0.00 0.38 0.00 0.00 41.96 42.79 3fl9 s TYR 153 CO 0.08 -0.97 -0.08 0.71 -1.52 0.00 0.00 175.55 173.77 3fl9 s TYR 154 N -3.76 0.70 0.01 -3.49 1.51 -0.84 0.26 117.35 111.73 3fl9 s TYR 154 Ca 0.05 -0.32 -0.22 0.00 -1.01 0.00 0.00 57.07 55.58 3fl9 s TYR 154 Cb -0.03 -0.43 -0.05 0.00 -0.11 0.00 0.00 41.96 41.34 3fl9 s TYR 154 CO -0.05 -0.03 0.63 0.71 -1.11 0.00 0.00 175.55 175.70 3fl9 s TYR 155 N -0.81 3.70 0.01 2.71 1.51 0.15 -1.57 117.35 123.06 3fl9 s TYR 155 Ca -0.03 1.26 0.05 0.00 -1.01 0.00 0.00 57.07 57.34 3fl9 s TYR 155 Cb -0.07 -2.66 -0.02 0.00 -0.11 0.00 0.00 41.96 39.11 3fl9 s TYR 155 CO 0.00 0.34 -0.14 -1.01 -1.11 0.00 0.00 175.55 173.63 3fl9 s HIS 156 N -0.17 1.23 -0.08 2.71 3.76 0.60 -0.88 115.29 122.46 3fl9 s HIS 156 Ca 0.33 -0.29 0.03 0.00 -0.15 0.00 0.00 55.06 54.97 3fl9 s HIS 156 Cb -0.19 -0.76 0.01 0.00 1.11 0.00 0.00 32.58 32.75 3fl9 s HIS 156 CO 0.19 0.01 -0.16 0.08 -0.85 0.00 0.00 174.74 174.01 3fl9 s VAL 157 N -0.59 1.41 0.02 -0.90 1.01 0.43 -1.06 120.40 120.72 3fl9 s VAL 157 Ca 0.03 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.45 3fl9 s VAL 157 Cb -0.07 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 3fl9 s VAL 157 CO 0.00 0.42 -0.22 -0.31 0.00 0.00 0.00 175.10 174.98 3fl9 s TYR 158 N 0.59 1.99 -0.05 5.22 2.02 0.15 -0.80 117.35 126.47 3fl9 s TYR 158 Ca -0.15 -0.38 0.06 0.00 -0.37 0.00 0.00 57.07 56.22 3fl9 s TYR 158 Cb -0.16 -1.23 -0.01 0.00 -0.40 0.00 0.00 41.96 40.16 3fl9 s TYR 158 CO 0.05 0.04 -0.21 -1.21 -1.57 0.00 0.00 175.55 172.65 3fl9 s GLU 159 N -0.89 2.13 -0.05 -0.62 2.02 -0.60 -0.48 118.70 120.21 3fl9 s GLU 159 Ca 0.09 -0.77 -0.39 0.00 0.02 0.00 0.00 54.97 53.92 3fl9 s GLU 159 Cb -0.09 -1.85 -0.18 0.00 0.10 0.00 0.00 34.13 32.11 3fl9 s GLU 159 CO 0.01 0.34 1.35 1.17 0.02 0.00 0.00 175.26 178.14 3fl9 n LYS 160 N 2.96 0.71 -3.11 1.61 4.81 -0.41 -2.07 118.16 122.65 3fl9 n LYS 160 Ca -0.17 0.26 -0.35 0.00 -0.87 0.00 0.00 58.31 57.17 3fl9 n LYS 160 Cb 0.52 -1.85 -0.06 0.00 0.02 0.00 0.00 35.03 33.66 3fl9 n LYS 160 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 3fl9 s GLN 161 N 1.03 4.19 0.06 1.64 0.74 -1.26 -4.82 119.66 121.25 3fl9 s GLN 161 Ca 0.90 0.82 -0.31 0.00 0.05 0.00 0.00 55.36 56.83 3fl9 s GLN 161 Cb -1.11 -2.76 -0.06 0.00 1.10 0.00 0.00 33.01 30.17 3fl9 s GLN 161 CO 0.56 0.33 1.23 1.14 -0.55 0.00 0.00 175.29 178.00 3fl9 s GLN 162 N -2.23 4.41 -0.21 1.67 -2.07 -1.26 -5.00 119.66 114.96 3fl9 s GLN 162 Ca 0.46 1.82 -0.23 0.00 -1.82 0.00 0.00 55.36 55.59 3fl9 s GLN 162 Cb -0.15 -3.34 -0.01 0.00 -1.09 0.00 0.00 33.01 28.41 3fl9 s GLN 162 CO 0.20 -0.30 0.76 -1.17 -1.32 0.00 0.00 175.29 173.46 3fl9 s LEU 163 N 1.13 4.12 0.15 2.60 0.20 -1.26 -5.03 118.68 120.59 3fl9 s LEU 163 Ca 0.60 0.99 -0.30 0.00 0.69 0.00 0.00 54.13 56.11 3fl9 s LEU 163 Cb -0.31 -3.09 -0.07 0.00 -0.43 0.00 0.00 46.19 42.29 3fl9 s LEU 163 CO 0.29 -0.41 1.07 -0.69 -0.29 0.00 0.00 176.35 176.32 3fl9 s VAL 164 N 2.39 4.06 0.63 1.68 1.01 -1.26 -5.01 120.40 123.91 3fl9 s VAL 164 Ca 0.33 1.73 -0.18 0.00 0.00 0.00 0.00 61.98 63.87 3fl9 s VAL 164 Cb -0.16 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 3fl9 s VAL 164 CO 0.10 0.28 1.27 -2.84 0.00 0.00 0.00 175.10 173.91 3fl9 s PRO 165 N -0.16 2.67 0.00 2.72 0.02 -1.26 -5.34 135.00 133.66 3fl9 s PRO 165 Ca 0.49 2.01 0.21 0.00 0.02 0.00 0.00 61.00 63.73 3fl9 s PRO 165 Cb -0.28 -1.87 1.26 0.00 0.02 0.00 0.00 34.50 33.63 3fl9 s PRO 165 CO 0.33 -1.49 1.64 2.89 -0.33 0.00 0.00 177.00 180.04