#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 3.87 -0.61 1.12 1.01 0.23 -4.94 121.20 121.88 3fl9 s ILE 2 Ca 0.00 0.59 -0.27 0.00 0.00 0.00 0.00 60.65 60.97 3fl9 s ILE 2 Cb 0.00 -4.83 0.03 0.00 0.01 0.00 0.00 42.46 37.68 3fl9 s ILE 2 CO 0.00 -1.62 1.15 -0.69 0.00 0.00 0.00 174.94 173.78 3fl9 s VAL 3 N 5.35 4.04 -0.14 2.92 1.01 -1.26 -0.57 120.40 131.75 3fl9 s VAL 3 Ca 0.38 0.63 -0.02 0.00 0.00 0.00 0.00 61.98 62.96 3fl9 s VAL 3 Cb -0.08 -4.73 -0.02 0.00 0.00 0.00 0.00 36.38 31.55 3fl9 s VAL 3 CO 0.19 -1.41 -0.07 -0.44 0.00 0.00 0.00 175.10 173.38 3fl9 s SER 4 N 3.12 4.56 0.71 3.32 0.01 0.16 0.12 113.70 125.71 3fl9 s SER 4 Ca 0.38 -0.17 -0.12 0.00 1.31 0.00 0.00 55.95 57.35 3fl9 s SER 4 Cb -0.09 -1.66 0.02 0.00 0.21 0.00 0.00 66.02 64.50 3fl9 s SER 4 CO 0.21 0.19 1.08 -0.36 0.41 0.00 0.00 173.24 174.78 3fl9 s PHE 5 N 0.21 2.80 -0.06 2.43 0.08 -1.19 -0.81 117.98 121.44 3fl9 s PHE 5 Ca -0.04 1.51 -0.02 0.00 0.12 0.00 0.00 56.93 58.50 3fl9 s PHE 5 Cb -0.14 -3.01 0.03 0.00 -0.57 0.00 0.00 43.02 39.33 3fl9 s PHE 5 CO 0.04 -1.52 0.06 1.41 -0.10 0.00 0.00 175.22 175.11 3fl9 s MET 6 N -4.70 0.02 -0.06 0.44 -2.45 -0.46 -2.78 119.30 109.31 3fl9 s MET 6 Ca 0.61 0.29 -0.05 0.00 -1.25 0.00 0.00 55.69 55.30 3fl9 s MET 6 Cb -0.17 -0.72 0.02 0.00 1.25 0.00 0.00 34.83 35.22 3fl9 s MET 6 CO 0.51 -0.37 0.15 0.54 1.05 0.00 0.00 175.02 176.90 3fl9 s VAL 7 N 2.14 -0.01 -0.25 10.11 0.11 -0.53 -4.52 120.40 127.45 3fl9 s VAL 7 Ca 0.05 0.03 -0.09 0.00 -2.93 0.00 0.00 61.98 59.04 3fl9 s VAL 7 Cb -0.13 -0.22 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 3fl9 s VAL 7 CO -0.04 0.01 0.11 0.00 -3.33 0.00 0.00 175.10 171.86 3fl9 s ALA 8 N 0.27 3.33 0.00 1.54 0.00 -1.26 -0.01 121.76 125.63 3fl9 s ALA 8 Ca -0.02 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.88 3fl9 s ALA 8 Cb -0.03 -2.20 0.00 0.00 0.00 0.00 0.00 23.12 20.89 3fl9 s ALA 8 CO -0.01 -0.42 0.00 -0.12 0.00 0.00 0.00 175.76 175.21 3fl9 n MET 9 N 4.77 3.74 -3.85 0.00 1.56 0.58 -4.57 117.12 119.36 3fl9 n MET 9 Ca -0.15 0.00 -0.09 0.00 -0.27 0.00 0.00 57.70 57.18 3fl9 n MET 9 Cb 0.52 0.00 -0.04 0.00 2.15 0.00 0.00 33.22 35.84 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 0.21 -0.17 0.57 6.12 2.15 -1.21 -3.44 116.67 120.90 3fl9 s ASP 10 Ca 0.00 -0.67 0.28 0.00 0.43 0.00 0.00 52.55 52.59 3fl9 s ASP 10 Cb 0.00 0.57 1.70 0.00 -0.30 0.00 0.00 42.92 44.89 3fl9 s ASP 10 CO 0.00 -1.08 2.21 -0.33 -0.17 0.00 0.00 175.17 175.80 3fl9 h GLU 11 N 2.24 0.00 -0.06 4.34 5.08 -0.88 -1.19 114.58 124.12 3fl9 h GLU 11 Ca -0.27 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 3fl9 h GLU 11 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 3fl9 h GLU 11 CO 0.37 0.02 -0.38 0.09 -1.00 0.00 0.00 179.01 178.11 3fl9 n ASN 12 N -3.90 1.91 0.00 1.42 3.02 -1.26 -4.96 115.26 111.49 3fl9 n ASN 12 Ca -0.03 -3.81 0.00 0.00 -0.03 0.00 0.00 54.58 50.71 3fl9 n ASN 12 Cb 0.11 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 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 -1.14 -1.37 -1.71 3.52 1.74 -0.45 -4.89 116.66 112.36 3fl9 n ARG 13 Ca 0.21 0.34 -0.43 0.00 -0.77 0.00 0.00 57.85 57.21 3fl9 n ARG 13 Cb 0.74 -4.75 -0.03 0.00 -1.02 0.00 0.00 32.46 27.40 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 -2.04 0.09 -1.07 1.55 0.31 -1.26 -0.99 118.33 114.91 3fl9 n VAL 14 Ca 0.00 -0.02 0.09 0.00 -0.01 0.00 0.00 64.34 64.41 3fl9 n VAL 14 Cb 0.34 -1.96 0.13 0.00 -0.91 0.00 0.00 33.84 31.45 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 4.08 1.80 0.00 2.52 -5.35 -0.03 -3.36 119.36 119.01 3fl9 n ILE 15 Ca 0.17 -2.15 0.00 0.00 -0.27 0.00 0.00 62.75 60.50 3fl9 n ILE 15 Cb 0.34 -0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.05 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 -1.36 -0.67 0.00 3.28 0.00 -1.21 -4.70 105.19 100.52 3fl9 n GLY 16 Ca 0.15 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.99 2.57 0.09 1.61 4.81 -1.26 -2.62 118.16 122.37 3fl9 n LYS 17 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.46 3fl9 n LYS 17 Cb 0.00 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.09 3fl9 n LYS 17 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3fl9 n ASP 18 N 0.00 0.00 0.00 3.14 5.68 -1.26 -4.60 116.55 119.51 3fl9 n ASP 18 Ca 0.00 0.23 0.00 0.00 -0.50 0.00 0.00 54.79 54.52 3fl9 n ASP 18 Cb 0.00 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 3fl9 n ASP 18 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3fl9 n ASN 20 N -1.49 0.00 -4.68 -1.12 3.02 -1.26 -5.13 115.26 104.61 3fl9 n ASN 20 Ca 0.02 0.00 -0.46 0.00 -0.03 0.00 0.00 54.58 54.11 3fl9 n ASN 20 Cb 0.46 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.59 3fl9 n ASN 20 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3fl9 n LEU 21 N 0.00 3.36 0.00 3.41 4.32 -1.26 -4.49 117.00 122.34 3fl9 n LEU 21 Ca 0.00 1.04 0.13 0.00 -0.02 0.00 0.00 56.01 57.16 3fl9 n LEU 21 Cb 0.00 -1.44 0.74 0.00 -1.62 0.00 0.00 43.42 41.10 3fl9 n LEU 21 CO 0.00 -0.14 0.93 -2.65 -1.22 0.00 0.00 177.39 174.31 3fl9 n PRO 22 N 4.45 0.75 -4.09 3.23 -0.02 -1.26 -4.78 135.00 133.28 3fl9 n PRO 22 Ca 0.18 0.01 -0.14 0.00 -2.02 0.00 0.00 63.50 61.53 3fl9 n PRO 22 Cb 0.30 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.16 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 -2.06 0.68 -0.79 6.00 -2.14 -1.26 -4.99 118.94 114.39 3fl9 s TRP 23 Ca 0.37 -0.42 0.02 0.00 2.66 0.00 0.00 56.10 58.73 3fl9 s TRP 23 Cb 0.17 -0.41 0.22 0.00 -3.10 0.00 0.00 33.47 30.35 3fl9 s TRP 23 CO 0.30 -0.06 0.72 -2.13 -2.66 0.00 0.00 176.95 173.13 3fl9 n ARG 24 N 1.73 2.46 -3.79 3.25 0.63 -1.26 -5.01 116.66 114.66 3fl9 n ARG 24 Ca -0.21 -4.54 -0.37 0.00 -0.92 0.00 0.00 57.85 51.82 3fl9 n ARG 24 Cb 0.55 -2.34 -0.12 0.00 0.45 0.00 0.00 32.46 31.00 3fl9 n ARG 24 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3fl9 s LEU 25 N -1.77 4.67 0.16 6.15 1.43 -1.26 -4.63 118.68 123.43 3fl9 s LEU 25 Ca 0.30 -1.58 -0.10 0.00 -1.03 0.00 0.00 54.13 51.72 3fl9 s LEU 25 Cb -0.00 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.42 3fl9 s LEU 25 CO -0.10 -0.42 1.57 -0.65 0.23 0.00 0.00 176.35 176.98 3fl9 h PRO 26 N 8.11 1.02 -0.95 1.29 0.11 -1.96 -2.46 132.00 137.16 3fl9 h PRO 26 Ca -0.18 -0.41 0.07 0.00 0.11 0.00 0.00 66.00 65.59 3fl9 h PRO 26 Cb 1.06 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.06 3fl9 h PRO 26 CO 0.64 1.10 0.60 1.03 -0.21 0.00 0.00 178.00 181.16 3fl9 h SER 27 N 0.89 0.94 -0.14 -2.05 0.87 -1.91 0.57 113.55 112.73 3fl9 h SER 27 Ca 0.12 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 3fl9 h SER 27 Cb 0.75 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 3fl9 h SER 27 CO 0.06 0.58 0.03 -0.08 -0.53 0.00 0.00 176.83 176.89 3fl9 h GLU 28 N 1.07 0.22 -0.15 2.24 4.22 -1.91 -1.85 114.58 118.42 3fl9 h GLU 28 Ca 0.43 -0.06 -0.05 0.00 0.08 0.00 0.00 59.36 59.75 3fl9 h GLU 28 Cb 0.23 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3fl9 h GLU 28 CO -0.19 0.39 -0.15 -0.07 -2.18 0.00 0.00 179.01 176.81 3fl9 h LEU 29 N 0.02 0.23 0.20 1.64 3.38 -0.85 -1.10 115.31 118.84 3fl9 h LEU 29 Ca 0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3fl9 h LEU 29 Cb 0.27 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3fl9 h LEU 29 CO 0.00 0.40 -0.10 -0.61 0.09 0.00 0.00 178.44 178.23 3fl9 h GLN 30 N 0.23 -0.26 -0.79 1.13 5.75 0.24 -1.33 115.11 120.08 3fl9 h GLN 30 Ca 0.04 0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.65 3fl9 h GLN 30 Cb 0.41 0.06 -0.07 0.00 1.07 0.00 0.00 27.48 28.95 3fl9 h GLN 30 CO 0.03 0.01 0.45 -0.92 -2.65 0.00 0.00 178.83 175.74 3fl9 h TYR 31 N -0.51 0.82 0.38 3.99 3.20 -1.05 0.23 116.97 124.03 3fl9 h TYR 31 Ca -0.03 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3fl9 h TYR 31 Cb 0.38 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 3fl9 h TYR 31 CO 0.00 0.35 -0.44 0.28 -1.64 0.00 0.00 178.16 176.71 3fl9 h VAL 32 N 0.78 0.00 -0.78 1.81 2.07 -1.13 -0.79 116.25 118.22 3fl9 h VAL 32 Ca 0.37 0.00 0.17 0.00 0.82 0.00 0.00 66.70 68.07 3fl9 h VAL 32 Cb 0.31 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.94 3fl9 h VAL 32 CO -0.23 0.00 -0.06 0.50 0.02 0.00 0.00 177.57 177.80 3fl9 h LYS 33 N -0.84 0.06 -0.88 1.57 3.64 -0.69 0.16 116.57 119.59 3fl9 h LYS 33 Ca -0.05 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.40 3fl9 h LYS 33 Cb 0.74 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.48 3fl9 h LYS 33 CO -0.09 0.04 0.55 -0.22 -2.27 0.00 0.00 179.45 177.45 3fl9 h LYS 34 N 0.06 0.95 0.17 1.90 3.64 -0.49 -1.45 116.57 121.35 3fl9 h LYS 34 Ca 0.41 -0.06 -0.30 0.00 -1.27 0.00 0.00 60.65 59.44 3fl9 h LYS 34 Cb 0.71 -0.22 0.02 0.00 -0.41 0.00 0.00 32.23 32.34 3fl9 h LYS 34 CO -0.73 0.63 -1.32 1.15 -2.27 0.00 0.00 179.45 176.92 3fl9 h THR 35 N 0.98 1.38 -0.42 1.00 2.02 0.49 -3.34 112.91 115.02 3fl9 h THR 35 Ca 0.39 -2.79 0.00 0.00 0.77 0.00 0.00 66.41 64.78 3fl9 h THR 35 Cb 0.21 2.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 3fl9 h THR 35 CO -0.19 0.83 0.00 1.07 0.37 0.00 0.00 175.52 177.60 3fl9 n THR 36 N -3.66 0.55 -2.37 3.16 5.66 0.35 -4.92 114.28 113.06 3fl9 n THR 36 Ca -0.12 -0.64 -0.42 0.00 -3.05 0.00 0.00 64.05 59.82 3fl9 n THR 36 Cb 1.04 0.50 -0.03 0.00 -1.55 0.00 0.00 70.33 70.29 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 -1.45 4.33 0.00 1.09 0.00 -0.57 -2.92 119.30 119.78 3fl9 s MET 37 Ca 0.35 1.79 0.00 0.00 0.00 0.00 0.00 55.69 57.83 3fl9 s MET 37 Cb 0.19 -3.56 0.00 0.00 0.00 0.00 0.00 34.83 31.46 3fl9 s MET 37 CO 0.26 -0.49 0.00 0.41 0.00 0.00 0.00 175.02 175.20 3fl9 n GLY 38 N 3.47 1.12 3.45 2.11 0.00 -0.89 -5.02 105.19 109.43 3fl9 n GLY 38 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.36 2.62 0.31 1.61 3.76 -1.15 -4.80 115.29 115.28 3fl9 s HIS 39 Ca 0.00 -0.22 -0.29 0.00 -0.15 0.00 0.00 55.06 54.40 3fl9 s HIS 39 Cb 0.00 -1.58 -0.12 0.00 1.11 0.00 0.00 32.58 31.99 3fl9 s HIS 39 CO 0.00 0.16 1.46 -2.30 -0.85 0.00 0.00 174.74 173.21 3fl9 n PRO 40 N 2.20 2.41 -3.74 8.40 -0.02 -1.26 -4.22 135.00 138.78 3fl9 n PRO 40 Ca -0.17 0.85 -0.36 0.00 -2.02 0.00 0.00 63.50 61.80 3fl9 n PRO 40 Cb 0.52 -2.55 -0.10 0.00 -0.02 0.00 0.00 33.50 31.35 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 -0.79 3.98 -0.57 2.45 1.02 -0.07 -0.77 118.68 123.93 3fl9 s LEU 41 Ca 0.61 0.07 -0.08 0.00 0.02 0.00 0.00 54.13 54.75 3fl9 s LEU 41 Cb -0.54 -2.06 0.15 0.00 0.02 0.00 0.00 46.19 43.76 3fl9 s LEU 41 CO 0.55 0.07 0.43 -0.63 0.02 0.00 0.00 176.35 176.80 3fl9 s ILE 42 N 1.01 4.22 0.09 -0.59 -1.09 0.48 -1.83 121.20 123.48 3fl9 s ILE 42 Ca 0.06 -2.28 0.06 0.00 -2.23 0.00 0.00 60.65 56.27 3fl9 s ILE 42 Cb -0.14 -3.74 -0.03 0.00 -1.58 0.00 0.00 42.46 36.97 3fl9 s ILE 42 CO 0.04 -0.84 -0.16 0.00 -1.23 0.00 0.00 174.94 172.75 3fl9 s MET 43 N 0.71 0.93 1.02 2.79 0.23 -1.01 -0.57 119.30 123.41 3fl9 s MET 43 Ca 0.11 -1.05 -0.13 0.00 -1.03 0.00 0.00 55.69 53.60 3fl9 s MET 43 Cb -0.21 -0.99 0.20 0.00 -1.53 0.00 0.00 34.83 32.30 3fl9 s MET 43 CO -0.03 0.22 1.09 0.20 -2.03 0.00 0.00 175.02 174.47 3fl9 s GLY 44 N -1.88 1.56 0.26 3.16 0.00 -1.12 -2.73 107.32 106.57 3fl9 s GLY 44 Ca 0.02 -0.38 -0.02 0.00 0.00 0.00 0.00 44.72 44.33 3fl9 s GLY 44 CO 0.03 0.25 1.85 -0.09 0.00 0.00 0.00 173.10 175.14 3fl9 h ARG 45 N -1.99 1.01 -0.20 2.90 2.43 -1.92 -2.48 114.38 114.13 3fl9 h ARG 45 Ca -0.56 -0.06 -0.19 0.00 -0.81 0.00 0.00 59.98 58.36 3fl9 h ARG 45 Cb 1.34 -0.23 0.01 0.00 -0.42 0.00 0.00 29.97 30.66 3fl9 h ARG 45 CO 0.57 0.67 -0.62 0.87 -1.51 0.00 0.00 179.97 179.96 3fl9 h LYS 46 N 1.04 0.77 -0.62 0.20 1.57 -1.92 -3.09 116.57 114.53 3fl9 h LYS 46 Ca 0.43 -0.56 0.05 0.00 -1.87 0.00 0.00 60.65 58.71 3fl9 h LYS 46 Cb 0.28 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 3fl9 h LYS 46 CO -0.21 1.18 0.34 -0.97 -0.57 0.00 0.00 179.45 179.22 3fl9 h ASN 47 N 0.51 0.49 -0.19 0.86 -0.00 -1.79 -1.01 115.58 114.45 3fl9 h ASN 47 Ca -0.02 0.03 -0.04 0.00 -0.00 0.00 0.00 56.30 56.27 3fl9 h ASN 47 Cb 1.24 -0.07 -0.02 0.00 -0.00 0.00 0.00 38.32 39.48 3fl9 h ASN 47 CO 0.13 0.33 0.02 0.22 -0.00 0.00 0.00 177.43 178.13 3fl9 h TYR 48 N 0.63 0.44 0.00 0.67 3.20 -1.51 0.10 116.97 120.50 3fl9 h TYR 48 Ca 0.28 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.12 3fl9 h TYR 48 Cb 0.17 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.31 3fl9 h TYR 48 CO -0.09 0.42 0.00 0.93 -1.64 0.00 0.00 178.16 177.79 3fl9 h GLU 49 N 0.42 0.00 0.07 1.82 4.39 -1.17 0.46 114.58 120.58 3fl9 h GLU 49 Ca 0.10 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.61 3fl9 h GLU 49 Cb 0.24 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3fl9 h GLU 49 CO 0.00 0.00 -0.95 0.00 -1.16 0.00 0.00 179.01 176.90 3fl9 h ALA 50 N 2.19 0.10 -0.87 3.43 0.00 0.19 -3.30 119.26 121.00 3fl9 h ALA 50 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 54.01 3fl9 h ALA 50 Cb 0.56 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 3fl9 h ALA 50 CO 0.00 0.53 0.55 0.82 0.00 0.00 0.00 179.25 181.15 3fl9 h ILE 51 N -0.60 1.23 0.00 0.00 5.03 -0.73 -3.46 117.51 118.98 3fl9 h ILE 51 Ca -0.21 -0.47 0.00 0.00 -0.12 0.00 0.00 64.86 64.06 3fl9 h ILE 51 Cb 1.49 -0.01 0.00 0.00 -3.03 0.00 0.00 36.82 35.26 3fl9 h ILE 51 CO 0.01 0.23 0.00 0.61 -0.68 0.00 0.00 178.15 178.33 3fl9 n GLY 52 N -1.28 2.73 3.14 5.37 0.00 0.16 -4.99 105.19 110.33 3fl9 n GLY 52 Ca 0.09 -0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 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 0.75 -0.52 1.61 1.70 -1.26 -4.92 118.95 116.32 3fl9 s ARG 53 Ca 0.00 -0.96 -0.28 0.00 -0.47 0.00 0.00 55.73 54.02 3fl9 s ARG 53 Cb 0.00 -0.61 0.00 0.00 -0.57 0.00 0.00 34.95 33.77 3fl9 s ARG 53 CO 0.00 0.12 1.53 -2.14 -1.08 0.00 0.00 175.30 173.73 3fl9 s PRO 54 N -1.99 3.24 -0.13 3.89 0.02 -1.26 -4.96 135.00 133.81 3fl9 s PRO 54 Ca -0.02 0.67 -0.29 0.00 0.02 0.00 0.00 61.00 61.38 3fl9 s PRO 54 Cb -0.08 -4.16 -0.06 0.00 0.02 0.00 0.00 34.50 30.22 3fl9 s PRO 54 CO 0.01 -2.00 2.03 -0.51 -0.33 0.00 0.00 177.00 176.20 3fl9 s LEU 55 N 6.54 3.86 1.21 -5.54 1.43 -1.26 -4.95 118.68 119.97 3fl9 s LEU 55 Ca 0.59 2.10 -0.14 0.00 -1.03 0.00 0.00 54.13 55.65 3fl9 s LEU 55 Cb -0.13 -3.52 0.31 0.00 0.03 0.00 0.00 46.19 42.88 3fl9 s LEU 55 CO 0.26 -1.53 1.01 -2.84 0.23 0.00 0.00 176.35 173.48 3fl9 s PRO 56 N 5.42 -1.29 0.00 1.29 0.02 -1.26 -4.01 135.00 135.17 3fl9 s PRO 56 Ca 0.91 0.75 0.00 0.00 0.02 0.00 0.00 61.00 62.68 3fl9 s PRO 56 Cb -0.35 -1.52 0.00 0.00 0.02 0.00 0.00 34.50 32.66 3fl9 s PRO 56 CO 0.36 -3.95 0.00 0.41 -0.33 0.00 0.00 177.00 173.50 3fl9 n GLY 57 N 0.95 3.25 3.14 0.52 0.00 -1.26 -4.94 105.19 106.85 3fl9 n GLY 57 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 3fl9 n GLY 57 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fl9 s ARG 58 N -0.54 0.80 -0.28 1.61 1.70 -1.26 -2.08 118.95 118.91 3fl9 s ARG 58 Ca 0.00 -1.30 -0.29 0.00 -0.47 0.00 0.00 55.73 53.67 3fl9 s ARG 58 Cb 0.00 0.24 -0.01 0.00 -0.57 0.00 0.00 34.95 34.61 3fl9 s ARG 58 CO 0.00 -0.21 1.51 1.03 -1.08 0.00 0.00 175.30 176.55 3fl9 s ARG 59 N -3.98 3.76 -0.53 3.89 0.52 -1.26 -4.88 118.95 116.47 3fl9 s ARG 59 Ca 0.15 1.42 -0.23 0.00 -0.52 0.00 0.00 55.73 56.55 3fl9 s ARG 59 Cb 0.07 -4.00 0.04 0.00 0.52 0.00 0.00 34.95 31.58 3fl9 s ARG 59 CO -0.04 -1.33 0.86 -0.80 0.02 0.00 0.00 175.30 174.01 3fl9 s ASN 60 N 3.94 6.33 -0.21 0.23 0.02 -1.26 -0.89 114.94 123.10 3fl9 s ASN 60 Ca 0.66 -0.41 -0.04 0.00 -1.02 0.00 0.00 52.86 52.05 3fl9 s ASN 60 Cb -0.21 -2.40 -0.01 0.00 0.02 0.00 0.00 41.25 38.65 3fl9 s ASN 60 CO 0.28 -1.12 -0.03 -0.63 0.02 0.00 0.00 177.10 175.62 3fl9 s ILE 61 N 3.62 3.54 0.11 0.60 1.01 -0.76 -0.49 121.20 128.83 3fl9 s ILE 61 Ca 0.28 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.50 3fl9 s ILE 61 Cb -0.14 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 3fl9 s ILE 61 CO 0.18 0.43 0.20 -0.63 0.00 0.00 0.00 174.94 175.12 3fl9 s ILE 62 N 1.26 5.07 -0.26 2.92 1.01 0.51 -2.41 121.20 129.30 3fl9 s ILE 62 Ca 0.03 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.04 3fl9 s ILE 62 Cb -0.14 -3.53 0.07 0.00 0.01 0.00 0.00 42.46 38.86 3fl9 s ILE 62 CO -0.01 0.02 -0.04 -0.69 0.00 0.00 0.00 174.94 174.22 3fl9 s VAL 63 N -1.60 1.77 0.07 2.92 1.01 -1.10 -1.05 120.40 122.41 3fl9 s VAL 63 Ca 0.33 -1.51 0.07 0.00 0.00 0.00 0.00 61.98 60.87 3fl9 s VAL 63 Cb -0.12 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 3fl9 s VAL 63 CO 0.26 -0.20 -0.20 0.42 0.00 0.00 0.00 175.10 175.39 3fl9 s THR 64 N 1.26 1.60 -0.39 3.92 -4.23 -0.71 -3.56 115.64 113.52 3fl9 s THR 64 Ca -0.03 -1.31 0.27 0.00 -1.18 0.00 0.00 61.69 59.44 3fl9 s THR 64 Cb -0.19 -1.42 0.31 0.00 1.34 0.00 0.00 72.50 72.53 3fl9 s THR 64 CO -0.07 0.06 1.78 0.08 -0.54 0.00 0.00 174.62 175.93 3fl9 h ARG 65 N 4.55 0.00 -5.50 3.99 0.11 -1.86 -3.34 114.38 112.34 3fl9 h ARG 65 Ca -0.43 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.50 3fl9 h ARG 65 Cb 1.17 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.24 3fl9 h ARG 65 CO 0.42 0.00 0.40 1.21 0.10 0.00 0.00 179.97 182.10 3fl9 s ASN 66 N -4.95 4.34 0.00 0.08 3.84 -1.26 -4.79 114.94 112.20 3fl9 s ASN 66 Ca 0.05 -0.07 0.00 0.00 0.21 0.00 0.00 52.86 53.05 3fl9 s ASN 66 Cb 0.09 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.24 3fl9 s ASN 66 CO 0.52 -3.43 0.11 1.21 -2.79 0.00 0.00 177.10 172.72 3fl9 n GLU 67 N 8.86 0.18 -1.18 0.43 2.13 -1.26 -1.50 120.64 128.30 3fl9 n GLU 67 Ca 0.43 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.25 3fl9 n GLU 67 Cb 0.45 -1.06 -0.01 0.00 0.27 0.00 0.00 31.44 31.09 3fl9 n GLU 67 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3fl9 n GLY 68 N 0.20 0.80 3.84 8.31 0.00 -1.26 -5.11 105.19 111.97 3fl9 n GLY 68 Ca 0.00 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 3.67 0.08 1.61 5.04 -0.56 -5.08 117.35 122.11 3fl9 s TYR 69 Ca 0.18 0.82 -0.16 0.00 -2.44 0.00 0.00 57.07 55.47 3fl9 s TYR 69 Cb 0.21 -2.18 0.03 0.00 0.35 0.00 0.00 41.96 40.37 3fl9 s TYR 69 CO -0.09 0.65 0.39 -1.01 -1.34 0.00 0.00 175.55 174.15 3fl9 s HIS 70 N -0.98 -0.20 -0.29 4.97 3.76 -1.26 -4.91 115.29 116.38 3fl9 s HIS 70 Ca 0.21 0.00 -0.17 0.00 -0.15 0.00 0.00 55.06 54.95 3fl9 s HIS 70 Cb -0.15 0.21 0.18 0.00 1.11 0.00 0.00 32.58 33.93 3fl9 s HIS 70 CO 0.10 -0.63 1.15 0.54 -0.85 0.00 0.00 174.74 175.05 3fl9 s VAL 71 N -3.19 0.00 0.36 -0.90 0.11 -1.26 -5.14 120.40 110.38 3fl9 s VAL 71 Ca -0.01 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.77 3fl9 s VAL 71 Cb 0.01 -1.00 -0.12 0.00 -1.53 0.00 0.00 36.38 33.74 3fl9 s VAL 71 CO -0.08 0.00 1.32 1.21 -3.33 0.00 0.00 175.10 174.22 3fl9 n GLU 72 N 3.24 2.18 -1.93 1.54 4.07 -1.26 -2.59 120.64 125.90 3fl9 n GLU 72 Ca -0.17 0.77 -0.09 0.00 -0.06 0.00 0.00 57.16 57.60 3fl9 n GLU 72 Cb 0.57 -2.39 -0.01 0.00 -0.06 0.00 0.00 31.44 29.55 3fl9 n GLU 72 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3fl9 n GLY 73 N 0.73 0.28 3.14 8.31 0.00 -1.26 -4.93 105.19 111.47 3fl9 n GLY 73 Ca 0.04 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.41 3.19 -0.58 0.00 2.02 0.35 -4.85 118.70 115.42 3fl9 s GLU 75 Ca 0.07 -0.76 -0.06 0.00 0.02 0.00 0.00 54.97 54.24 3fl9 s GLU 75 Cb 0.03 -2.49 0.15 0.00 0.10 0.00 0.00 34.13 31.92 3fl9 s GLU 75 CO -0.04 0.23 0.43 0.08 0.02 0.00 0.00 175.26 175.99 3fl9 s VAL 76 N 0.26 4.09 0.68 2.63 1.01 -1.26 -0.36 120.40 127.45 3fl9 s VAL 76 Ca -0.12 -2.44 -0.05 0.00 0.00 0.00 0.00 61.98 59.37 3fl9 s VAL 76 Cb -0.16 -3.66 0.06 0.00 0.00 0.00 0.00 36.38 32.62 3fl9 s VAL 76 CO 0.06 -0.85 0.97 0.00 0.00 0.00 0.00 175.10 175.29 3fl9 s ALA 77 N 0.53 3.31 0.00 5.51 0.00 -0.21 -4.96 121.76 125.93 3fl9 s ALA 77 Ca 0.13 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.05 3fl9 s ALA 77 Cb -0.21 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.43 3fl9 s ALA 77 CO -0.04 -1.21 0.00 0.72 0.00 0.00 0.00 175.76 175.23 3fl9 n HIS 78 N -2.82 0.00 -4.14 0.00 8.25 -1.25 -1.74 115.22 113.52 3fl9 n HIS 78 Ca 0.08 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.44 3fl9 n HIS 78 Cb 0.60 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.62 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 -0.10 0.18 0.45 0.41 0.01 -1.26 -4.51 113.70 108.88 3fl9 s SER 79 Ca 0.00 -1.23 0.24 0.00 1.31 0.00 0.00 55.95 56.27 3fl9 s SER 79 Cb 0.00 0.37 0.97 0.00 0.21 0.00 0.00 66.02 67.57 3fl9 s SER 79 CO 0.00 -0.82 1.85 0.58 0.41 0.00 0.00 173.24 175.26 3fl9 h VAL 80 N 2.68 0.57 -0.27 3.43 2.07 -1.98 -1.25 116.25 121.50 3fl9 h VAL 80 Ca -0.34 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.07 3fl9 h VAL 80 Cb 1.23 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 3fl9 h VAL 80 CO 0.54 0.22 0.04 1.05 0.02 0.00 0.00 177.57 179.43 3fl9 h GLU 81 N 0.00 0.45 0.00 1.57 4.11 -1.97 0.60 114.58 119.34 3fl9 h GLU 81 Ca -0.00 -0.13 -0.03 0.00 0.07 0.00 0.00 59.36 59.27 3fl9 h GLU 81 Cb 0.71 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 3fl9 h GLU 81 CO 0.03 0.58 -0.15 0.93 0.07 0.00 0.00 179.01 180.47 3fl9 h GLU 82 N 0.26 0.00 0.02 1.06 5.08 -1.82 0.13 114.58 119.30 3fl9 h GLU 82 Ca 0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3fl9 h GLU 82 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3fl9 h GLU 82 CO 0.01 0.15 -0.01 0.28 -1.00 0.00 0.00 179.01 178.44 3fl9 h VAL 83 N 0.00 1.33 0.00 3.13 2.07 -0.89 -3.17 116.25 118.72 3fl9 h VAL 83 Ca -0.00 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.62 3fl9 h VAL 83 Cb 0.38 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 3fl9 h VAL 83 CO 0.02 0.44 0.11 -0.26 0.02 0.00 0.00 177.57 177.89 3fl9 h PHE 84 N -0.96 0.00 0.16 1.57 0.04 0.52 -2.04 116.94 116.23 3fl9 h PHE 84 Ca -0.00 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.47 3fl9 h PHE 84 Cb 0.73 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.89 3fl9 h PHE 84 CO 0.20 0.00 -1.50 1.49 -0.60 0.00 0.00 178.31 177.90 3fl9 h GLU 85 N 0.00 0.33 -0.02 1.51 4.57 -1.05 -2.72 114.58 117.20 3fl9 h GLU 85 Ca 0.00 -0.57 -0.21 0.00 -1.18 0.00 0.00 59.36 57.41 3fl9 h GLU 85 Cb 0.21 0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 29.01 3fl9 h GLU 85 CO 0.00 1.27 -0.86 -0.07 -1.18 0.00 0.00 179.01 178.17 3fl9 h LEU 86 N -0.11 0.45 -2.86 1.64 3.38 -1.41 -3.00 115.31 113.39 3fl9 h LEU 86 Ca -0.30 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.33 3fl9 h LEU 86 Cb 1.92 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.53 3fl9 h LEU 86 CO 0.13 1.12 0.00 0.00 0.09 0.00 0.00 178.44 179.78 3fl9 h LYS 88 N 3.19 0.00 -0.35 0.00 3.64 -1.33 0.08 116.57 121.81 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 1.51 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.33 3fl9 h LYS 88 CO 0.32 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.59 3fl9 n ASN 89 N -3.81 3.76 -4.74 4.20 4.13 -1.26 -5.00 115.26 112.54 3fl9 n ASN 89 Ca 0.11 -2.62 -0.37 0.00 1.68 0.00 0.00 54.58 53.38 3fl9 n ASN 89 Cb 0.74 -0.45 -0.07 0.00 -1.54 0.00 0.00 39.78 38.46 3fl9 n ASN 89 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3fl9 s GLU 90 N -2.12 4.23 0.20 3.52 0.41 0.01 -4.98 118.70 119.99 3fl9 s GLU 90 Ca 0.38 0.19 -0.04 0.00 -0.41 0.00 0.00 54.97 55.09 3fl9 s GLU 90 Cb 0.27 -3.41 0.15 0.00 -1.78 0.00 0.00 34.13 29.37 3fl9 s GLU 90 CO 0.13 0.26 1.56 1.05 -0.49 0.00 0.00 175.26 177.78 3fl9 h GLU 91 N 6.51 0.65 -2.86 1.61 9.09 -1.94 -3.38 114.58 124.26 3fl9 h GLU 91 Ca -0.42 -0.34 -0.14 0.00 0.05 0.00 0.00 59.36 58.52 3fl9 h GLU 91 Cb 1.17 0.01 -0.25 0.00 -1.65 0.00 0.00 28.75 28.03 3fl9 h GLU 91 CO 0.74 0.94 -0.31 -2.00 0.05 0.00 0.00 179.01 178.43 3fl9 s GLU 92 N -4.27 0.40 0.18 1.06 2.12 -1.26 0.76 118.70 117.69 3fl9 s GLU 92 Ca -0.08 0.53 0.09 0.00 0.36 0.00 0.00 54.97 55.86 3fl9 s GLU 92 Cb 0.12 0.16 -0.04 0.00 0.26 0.00 0.00 34.13 34.63 3fl9 s GLU 92 CO 0.84 -0.07 -0.19 0.96 -0.54 0.00 0.00 175.26 176.26 3fl9 s ILE 93 N 0.38 1.92 -0.21 -3.70 -4.36 0.26 -4.10 121.20 111.39 3fl9 s ILE 93 Ca -0.02 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.39 3fl9 s ILE 93 Cb -0.04 -1.93 0.04 0.00 1.25 0.00 0.00 42.46 41.78 3fl9 s ILE 93 CO -0.01 -0.33 -0.15 -0.36 0.24 0.00 0.00 174.94 174.33 3fl9 s PHE 94 N -2.14 2.86 -0.26 1.37 0.08 0.05 -0.66 117.98 119.28 3fl9 s PHE 94 Ca 0.18 -1.87 -0.29 0.00 0.12 0.00 0.00 56.93 55.07 3fl9 s PHE 94 Cb -0.05 -1.86 -0.00 0.00 -0.57 0.00 0.00 43.02 40.53 3fl9 s PHE 94 CO 0.08 -0.82 1.30 0.42 -0.10 0.00 0.00 175.22 176.10 3fl9 s ILE 95 N 1.25 4.17 -0.17 0.64 -1.09 0.01 0.18 121.20 126.19 3fl9 s ILE 95 Ca -0.01 1.35 0.08 0.00 -2.23 0.00 0.00 60.65 59.83 3fl9 s ILE 95 Cb -0.16 -4.10 -0.15 0.00 -1.58 0.00 0.00 42.46 36.47 3fl9 s ILE 95 CO -0.09 -0.37 -0.05 0.33 -1.23 0.00 0.00 174.94 173.52 3fl9 n PHE 96 N 7.36 0.00 -3.51 3.97 7.35 0.27 -1.36 117.46 131.54 3fl9 n PHE 96 Ca 0.15 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.66 3fl9 n PHE 96 Cb 0.46 -0.73 -0.06 0.00 0.35 0.00 0.00 39.48 39.51 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 -5.30 -0.58 0.00 7.13 0.00 -1.25 -4.81 107.32 102.51 3fl9 s GLY 97 Ca -0.16 1.24 0.00 0.00 0.00 0.00 0.00 44.72 45.80 3fl9 s GLY 97 CO 0.53 0.87 0.00 0.61 0.00 0.00 0.00 173.10 175.11 3fl9 n GLY 98 N 0.76 0.79 0.29 0.20 0.00 -1.26 -2.79 105.19 103.17 3fl9 n GLY 98 Ca -0.19 -1.00 0.16 0.00 0.00 0.00 0.00 46.02 44.99 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 1.26 0.00 4.61 0.00 -1.99 0.38 119.26 123.53 3fl9 h ALA 99 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fl9 h ALA 99 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3fl9 h ALA 99 CO 0.00 0.07 -0.75 0.00 0.00 0.00 0.00 179.25 178.57 3fl9 n GLN 100 N -3.54 0.21 0.03 0.00 0.00 -1.26 -2.01 117.38 110.81 3fl9 n GLN 100 Ca -0.02 0.03 -0.18 0.00 0.00 0.00 0.00 57.00 56.83 3fl9 n GLN 100 Cb 0.18 -1.60 -0.14 0.00 0.00 0.00 0.00 30.24 28.67 3fl9 n GLN 100 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 3fl9 h ILE 101 N 0.00 0.86 -0.58 -0.39 1.08 -1.41 -2.82 117.51 114.25 3fl9 h ILE 101 Ca 0.00 -2.55 -0.01 0.00 -0.39 0.00 0.00 64.86 61.91 3fl9 h ILE 101 Cb 0.67 2.61 -0.03 0.00 -3.07 0.00 0.00 36.82 37.00 3fl9 h ILE 101 CO 0.00 0.80 0.32 1.88 -0.69 0.00 0.00 178.15 180.46 3fl9 h TYR 102 N 0.07 0.80 -0.67 1.37 0.05 -0.37 -1.62 116.97 116.60 3fl9 h TYR 102 Ca -0.34 -0.02 0.06 0.00 0.05 0.00 0.00 58.73 58.48 3fl9 h TYR 102 Cb 2.04 -0.26 -0.04 0.00 1.01 0.00 0.00 36.73 39.48 3fl9 h TYR 102 CO 0.07 0.58 0.44 -0.44 -1.05 0.00 0.00 178.16 177.76 3fl9 h ASP 103 N 0.79 0.61 -0.15 3.88 5.19 -1.51 0.12 116.42 125.35 3fl9 h ASP 103 Ca 0.20 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.55 3fl9 h ASP 103 Cb 0.05 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.41 3fl9 h ASP 103 CO -0.03 0.40 -0.10 -0.07 -3.12 0.00 0.00 179.24 176.32 3fl9 h LEU 104 N 0.70 0.47 -1.75 1.55 3.38 -1.05 -3.23 115.31 115.39 3fl9 h LEU 104 Ca 0.28 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3fl9 h LEU 104 Cb 0.23 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3fl9 h LEU 104 CO -0.09 0.61 0.00 0.49 0.09 0.00 0.00 178.44 179.54 3fl9 n PHE 105 N -4.22 0.09 -0.21 1.13 3.72 -0.60 -4.52 117.46 112.85 3fl9 n PHE 105 Ca 0.01 -0.08 0.12 0.00 -0.05 0.00 0.00 57.45 57.44 3fl9 n PHE 105 Cb 0.30 -0.00 0.42 0.00 -0.94 0.00 0.00 39.48 39.26 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 2.70 0.56 0.00 4.37 5.85 -0.82 -0.41 115.31 127.56 3fl9 h LEU 106 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3fl9 h LEU 106 Cb 0.61 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3fl9 h LEU 106 CO 0.00 0.31 0.00 -2.65 -0.34 0.00 0.00 178.44 175.76 3fl9 n PRO 107 N -4.51 0.27 0.00 5.25 -0.02 -1.26 -3.73 135.00 131.00 3fl9 n PRO 107 Ca 0.14 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 3fl9 n PRO 107 Cb 0.42 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 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 -1.28 0.00 -1.68 6.00 4.01 -0.27 -5.08 117.16 118.86 3fl9 n TYR 108 Ca 0.09 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.45 3fl9 n TYR 108 Cb 0.14 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.23 3fl9 n TYR 108 CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 3fl9 n VAL 109 N -0.95 4.28 -0.01 -0.72 3.14 -0.54 -4.57 118.33 118.96 3fl9 n VAL 109 Ca 0.00 -0.50 -0.01 0.00 -2.96 0.00 0.00 64.34 60.87 3fl9 n VAL 109 Cb 0.00 -1.35 -0.01 0.00 -1.06 0.00 0.00 33.84 31.42 3fl9 n VAL 109 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3fl9 n ASP 110 N -1.29 3.32 -4.39 6.55 8.00 0.33 -4.93 116.55 124.14 3fl9 n ASP 110 Ca 0.14 -0.01 -0.21 0.00 0.71 0.00 0.00 54.79 55.43 3fl9 n ASP 110 Cb 0.47 -0.03 -0.10 0.00 -0.02 0.00 0.00 41.12 41.44 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 -2.04 1.64 -0.22 -1.24 2.20 -1.18 -2.76 119.74 116.14 3fl9 s LYS 111 Ca -0.03 -1.92 -0.04 0.00 -0.36 0.00 0.00 55.97 53.63 3fl9 s LYS 111 Cb 0.01 -0.73 0.09 0.00 -1.51 0.00 0.00 37.83 35.68 3fl9 s LYS 111 CO 0.04 -0.24 0.16 -0.51 -0.36 0.00 0.00 175.35 174.44 3fl9 s LEU 112 N -3.47 0.18 -0.73 5.43 1.43 0.67 -3.18 118.68 119.01 3fl9 s LEU 112 Ca 0.35 -0.64 -0.19 0.00 -1.03 0.00 0.00 54.13 52.63 3fl9 s LEU 112 Cb 0.08 0.01 0.12 0.00 0.03 0.00 0.00 46.19 46.42 3fl9 s LEU 112 CO 0.15 -0.36 0.89 -0.31 0.23 0.00 0.00 176.35 176.95 3fl9 s TYR 113 N 2.21 3.05 -0.24 0.29 1.51 -1.12 -0.47 117.35 122.58 3fl9 s TYR 113 Ca 0.06 -1.11 -0.02 0.00 -1.01 0.00 0.00 57.07 54.98 3fl9 s TYR 113 Cb -0.16 -4.13 0.02 0.00 -0.11 0.00 0.00 41.96 37.58 3fl9 s TYR 113 CO -0.18 -1.40 -0.06 0.42 -1.11 0.00 0.00 175.55 173.23 3fl9 s ILE 114 N 2.70 2.92 -0.16 2.71 1.01 0.02 -1.45 121.20 128.94 3fl9 s ILE 114 Ca 0.21 -0.97 -0.13 0.00 0.00 0.00 0.00 60.65 59.75 3fl9 s ILE 114 Cb -0.15 -2.46 -0.05 0.00 0.01 0.00 0.00 42.46 39.81 3fl9 s ILE 114 CO 0.01 0.22 0.28 -0.89 0.00 0.00 0.00 174.94 174.56 3fl9 s THR 115 N 1.34 5.31 -0.16 2.92 2.01 0.98 -1.42 115.64 126.62 3fl9 s THR 115 Ca 0.01 0.53 0.01 0.00 0.31 0.00 0.00 61.69 62.54 3fl9 s THR 115 Cb -0.16 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 68.75 3fl9 s THR 115 CO -0.04 0.40 -0.16 -0.54 -0.69 0.00 0.00 174.62 173.59 3fl9 s LYS 116 N 0.37 2.49 -0.24 4.92 1.02 -0.79 0.22 119.74 127.73 3fl9 s LYS 116 Ca 0.16 -0.64 -0.14 0.00 0.02 0.00 0.00 55.97 55.37 3fl9 s LYS 116 Cb -0.13 -2.24 -0.04 0.00 -0.52 0.00 0.00 37.83 34.90 3fl9 s LYS 116 CO 0.04 -0.23 0.34 0.42 -0.92 0.00 0.00 175.35 175.00 3fl9 s ILE 117 N 1.43 5.22 -0.16 2.17 1.09 -1.22 -1.53 121.20 128.19 3fl9 s ILE 117 Ca 0.05 0.55 -0.06 0.00 -1.10 0.00 0.00 60.65 60.09 3fl9 s ILE 117 Cb -0.13 -3.67 -0.22 0.00 -1.06 0.00 0.00 42.46 37.38 3fl9 s ILE 117 CO -0.11 0.23 3.14 1.41 -0.10 0.00 0.00 174.94 179.51 3fl9 n HIS 118 N 4.82 0.23 -4.12 3.97 8.25 -0.36 -2.51 115.22 125.51 3fl9 n HIS 118 Ca -0.10 -1.46 -0.10 0.00 -0.26 0.00 0.00 57.72 55.80 3fl9 n HIS 118 Cb 0.51 -1.53 -0.09 0.00 1.12 0.00 0.00 29.99 30.00 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 1.42 0.85 -0.19 4.41 5.04 -1.26 -4.85 115.29 120.71 3fl9 s HIS 119 Ca 0.58 -1.16 0.01 0.00 -1.54 0.00 0.00 55.06 52.94 3fl9 s HIS 119 Cb 0.26 -0.38 0.04 0.00 0.04 0.00 0.00 32.58 32.54 3fl9 s HIS 119 CO -0.01 -0.64 -0.10 0.00 -2.34 0.00 0.00 174.74 171.66 3fl9 s ALA 120 N -4.07 1.90 0.27 1.58 0.00 -1.26 -1.27 121.76 118.91 3fl9 s ALA 120 Ca 0.28 -1.11 0.07 0.00 0.00 0.00 0.00 51.96 51.21 3fl9 s ALA 120 Cb 0.06 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 3fl9 s ALA 120 CO 0.06 -0.76 0.19 -0.06 0.00 0.00 0.00 175.76 175.19 3fl9 s PHE 121 N 1.45 3.01 -0.44 0.00 0.40 -1.26 -5.05 117.98 116.08 3fl9 s PHE 121 Ca -0.00 -0.17 -0.29 0.00 -0.60 0.00 0.00 56.93 55.87 3fl9 s PHE 121 Cb -0.16 -1.46 0.02 0.00 0.51 0.00 0.00 43.02 41.93 3fl9 s PHE 121 CO -0.08 0.47 1.31 -1.83 0.70 0.00 0.00 175.22 175.78 3fl9 s GLU 122 N -3.85 3.62 -0.01 0.44 1.03 -1.26 -4.96 118.70 113.71 3fl9 s GLU 122 Ca 0.34 0.78 -0.09 0.00 0.03 0.00 0.00 54.97 56.03 3fl9 s GLU 122 Cb -0.07 -3.98 0.01 0.00 -0.80 0.00 0.00 34.13 29.28 3fl9 s GLU 122 CO 0.25 -1.51 0.19 0.20 -1.33 0.00 0.00 175.26 173.06 3fl9 s GLY 123 N 3.39 -0.03 -0.23 -3.83 0.00 -1.26 -4.69 107.32 100.66 3fl9 s GLY 123 Ca 0.56 0.08 -0.16 0.00 0.00 0.00 0.00 44.72 45.20 3fl9 s GLY 123 CO 0.32 -0.06 -0.03 2.09 0.00 0.00 0.00 173.10 175.42 3fl9 n ASP 124 N 1.63 1.93 -4.71 1.64 5.75 -1.08 -4.93 116.55 116.78 3fl9 n ASP 124 Ca -0.21 0.34 -0.40 0.00 -0.01 0.00 0.00 54.79 54.50 3fl9 n ASP 124 Cb 0.56 -0.86 -0.04 0.00 -1.03 0.00 0.00 41.12 39.74 3fl9 n ASP 124 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3fl9 s THR 125 N -2.45 4.98 0.12 2.12 -4.23 -1.25 -5.02 115.64 109.93 3fl9 s THR 125 Ca -0.33 1.59 0.11 0.00 -1.18 0.00 0.00 61.69 61.88 3fl9 s THR 125 Cb 0.10 -4.11 -0.04 0.00 1.34 0.00 0.00 72.50 69.79 3fl9 s THR 125 CO 0.57 0.19 -0.26 -0.36 -0.54 0.00 0.00 174.62 174.21 3fl9 s PHE 126 N 1.12 2.26 -0.32 3.99 0.40 -1.26 -0.85 117.98 123.32 3fl9 s PHE 126 Ca 0.40 -0.38 -0.28 0.00 -0.60 0.00 0.00 56.93 56.07 3fl9 s PHE 126 Cb -0.18 -1.23 0.01 0.00 0.51 0.00 0.00 43.02 42.13 3fl9 s PHE 126 CO 0.19 0.32 1.00 0.12 0.70 0.00 0.00 175.22 177.54 3fl9 s PHE 127 N -1.05 3.17 0.52 0.36 5.36 -0.16 -4.64 117.98 121.53 3fl9 s PHE 127 Ca 0.13 1.09 -0.19 0.00 -0.96 0.00 0.00 56.93 57.01 3fl9 s PHE 127 Cb -0.10 -3.56 -0.12 0.00 -0.34 0.00 0.00 43.02 38.90 3fl9 s PHE 127 CO 0.06 -0.71 0.28 -2.30 -1.46 0.00 0.00 175.22 171.08 3fl9 n PRO 128 N 6.69 0.31 -1.61 10.12 -0.02 -1.26 -4.92 135.00 144.31 3fl9 n PRO 128 Ca 0.10 0.12 -0.32 0.00 -2.02 0.00 0.00 63.50 61.38 3fl9 n PRO 128 Cb 0.47 -1.39 0.05 0.00 -0.02 0.00 0.00 33.50 32.62 3fl9 n PRO 128 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3fl9 s GLU 129 N -1.58 2.77 0.01 -0.52 2.12 -1.26 -5.05 118.70 115.19 3fl9 s GLU 129 Ca 0.63 1.16 -0.00 0.00 0.36 0.00 0.00 54.97 57.13 3fl9 s GLU 129 Cb -0.50 -1.96 0.00 0.00 0.26 0.00 0.00 34.13 31.93 3fl9 s GLU 129 CO 0.59 -1.24 0.02 -1.33 -0.54 0.00 0.00 175.26 172.76 3fl9 n MET 130 N -2.88 0.02 0.00 4.30 2.81 -1.26 -5.18 117.12 114.93 3fl9 n MET 130 Ca 0.09 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 3fl9 n MET 130 Cb 0.53 0.08 0.00 0.00 -0.71 0.00 0.00 33.22 33.12 3fl9 n MET 130 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3fl9 n ASP 131 N -1.94 0.00 0.00 7.83 5.68 -1.26 -5.30 116.55 121.57 3fl9 n ASP 131 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 3fl9 n ASP 131 Cb 0.02 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 3fl9 n ASP 131 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3fl9 n TRP 135 N 0.00 0.00 -4.26 2.11 7.02 -1.26 -5.16 117.44 115.88 3fl9 n TRP 135 Ca 0.00 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.18 3fl9 n TRP 135 Cb 0.00 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 28.79 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 -4.78 2.25 -0.24 -0.99 2.20 -0.75 -4.90 119.74 112.53 3fl9 s LYS 136 Ca 0.00 -0.95 -0.14 0.00 -0.36 0.00 0.00 55.97 54.51 3fl9 s LYS 136 Cb 0.00 -2.37 -0.04 0.00 -1.51 0.00 0.00 37.83 33.92 3fl9 s LYS 136 CO 0.00 0.53 0.35 -2.00 -0.36 0.00 0.00 175.35 173.86 3fl9 s GLU 137 N -2.08 4.07 -0.13 4.03 2.12 -1.26 -1.00 118.70 124.45 3fl9 s GLU 137 Ca 0.21 0.04 0.18 0.00 0.36 0.00 0.00 54.97 55.76 3fl9 s GLU 137 Cb -0.11 -3.60 -0.25 0.00 0.26 0.00 0.00 34.13 30.43 3fl9 s GLU 137 CO 0.13 -0.15 0.28 1.55 -0.54 0.00 0.00 175.26 176.54 3fl9 n VAL 138 N 4.74 1.18 -3.77 3.70 3.14 -0.27 -4.98 118.33 122.06 3fl9 n VAL 138 Ca -0.09 -0.78 -0.13 0.00 -2.96 0.00 0.00 64.34 60.38 3fl9 n VAL 138 Cb 0.51 -0.49 -0.10 0.00 -1.06 0.00 0.00 33.84 32.70 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 -2.71 -0.26 -0.04 1.45 5.36 -1.21 -5.02 117.98 115.55 3fl9 s PHE 139 Ca -0.08 0.59 -0.02 0.00 -0.96 0.00 0.00 56.93 56.45 3fl9 s PHE 139 Cb 0.08 0.10 0.02 0.00 -0.34 0.00 0.00 43.02 42.88 3fl9 s PHE 139 CO 0.84 -0.24 0.09 0.54 -1.46 0.00 0.00 175.22 174.99 3fl9 s VAL 140 N -0.39 -0.03 -0.03 3.12 0.11 -1.26 -1.91 120.40 120.02 3fl9 s VAL 140 Ca -0.05 0.12 -0.03 0.00 -2.93 0.00 0.00 61.98 59.09 3fl9 s VAL 140 Cb -0.03 -0.15 0.01 0.00 -1.53 0.00 0.00 36.38 34.68 3fl9 s VAL 140 CO 0.02 0.05 0.08 -0.70 -3.33 0.00 0.00 175.10 171.21 3fl9 s GLU 141 N 0.71 0.09 0.30 1.54 2.12 -0.05 -4.97 118.70 118.45 3fl9 s GLU 141 Ca -0.06 0.10 -0.21 0.00 0.36 0.00 0.00 54.97 55.16 3fl9 s GLU 141 Cb -0.08 0.05 -0.09 0.00 0.26 0.00 0.00 34.13 34.27 3fl9 s GLU 141 CO -0.03 -0.01 0.82 0.21 -0.54 0.00 0.00 175.26 175.71 3fl9 s LYS 142 N 0.02 4.31 0.60 4.30 2.20 -1.26 0.20 119.74 130.10 3fl9 s LYS 142 Ca -0.00 1.01 -0.06 0.00 -0.36 0.00 0.00 55.97 56.55 3fl9 s LYS 142 Cb -0.01 -2.69 0.01 0.00 -1.51 0.00 0.00 37.83 33.63 3fl9 s LYS 142 CO 0.00 0.26 0.92 0.20 -0.36 0.00 0.00 175.35 176.37 3fl9 s GLY 143 N -1.81 1.60 -0.69 5.54 0.00 0.33 -4.82 107.32 107.47 3fl9 s GLY 143 Ca 0.50 -0.64 -0.26 0.00 0.00 0.00 0.00 44.72 44.32 3fl9 s GLY 143 CO 0.20 -0.36 1.15 -2.27 0.00 0.00 0.00 173.10 171.83 3fl9 s LEU 144 N -5.02 3.61 -0.28 0.66 2.96 -1.26 -4.71 118.68 114.65 3fl9 s LEU 144 Ca 0.54 -0.54 -0.22 0.00 -0.22 0.00 0.00 54.13 53.68 3fl9 s LEU 144 Cb -0.11 -2.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.98 3fl9 s LEU 144 CO 0.46 -1.64 0.72 -0.89 -1.32 0.00 0.00 176.35 173.68 3fl9 s THR 145 N 5.04 4.88 0.00 3.68 2.01 -1.26 -4.64 115.64 125.36 3fl9 s THR 145 Ca 0.32 1.20 0.00 0.00 0.31 0.00 0.00 61.69 63.52 3fl9 s THR 145 Cb -0.11 -4.05 0.00 0.00 0.01 0.00 0.00 72.50 68.35 3fl9 s THR 145 CO 0.15 -0.11 0.00 0.47 -0.69 0.00 0.00 174.62 174.44 3fl9 n ASP 146 N 5.96 0.25 0.04 3.53 9.92 -0.65 -4.92 116.55 130.68 3fl9 n ASP 146 Ca 0.02 0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 54.06 3fl9 n ASP 146 Cb 0.48 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.82 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 0.32 -0.00 -1.24 3.07 -1.97 -3.35 114.58 111.41 3fl9 h GLU 147 Ca 0.00 -0.55 0.00 0.00 -0.50 0.00 0.00 59.36 58.31 3fl9 h GLU 147 Cb 0.00 0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 3fl9 h GLU 147 CO 0.00 1.26 -0.03 1.63 -1.40 0.00 0.00 179.01 180.47 3fl9 n LYS 148 N -3.79 0.16 -3.21 2.33 5.02 -1.26 -4.09 118.16 113.32 3fl9 n LYS 148 Ca -0.24 -0.01 -0.25 0.00 -2.02 0.00 0.00 58.31 55.79 3fl9 n LYS 148 Cb 0.98 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.43 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 -1.41 2.49 0.25 4.39 3.02 -1.26 -4.34 115.26 118.40 3fl9 n ASN 149 Ca 0.09 -3.23 0.13 0.00 -0.03 0.00 0.00 54.58 51.54 3fl9 n ASN 149 Cb 0.31 -0.63 0.52 0.00 -0.61 0.00 0.00 39.78 39.37 3fl9 n ASN 149 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3fl9 h PRO 150 N 3.66 0.00 -6.62 3.52 0.11 -1.71 -1.73 132.00 129.23 3fl9 h PRO 150 Ca 0.13 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.59 3fl9 h PRO 150 Cb 0.74 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 31.66 3fl9 h PRO 150 CO 0.68 0.00 -0.81 0.71 -0.21 0.00 0.00 178.00 178.37 3fl9 s TYR 151 N -4.17 2.37 -0.03 0.65 2.02 -1.26 -4.90 117.35 112.03 3fl9 s TYR 151 Ca -0.02 -0.33 -0.19 0.00 -0.37 0.00 0.00 57.07 56.15 3fl9 s TYR 151 Cb 0.07 -1.18 -0.05 0.00 -0.40 0.00 0.00 41.96 40.40 3fl9 s TYR 151 CO 0.24 0.48 0.54 -0.08 -1.57 0.00 0.00 175.55 175.16 3fl9 s THR 152 N -1.60 4.99 0.26 -0.71 -1.32 -1.26 -4.50 115.64 111.51 3fl9 s THR 152 Ca 0.21 1.11 -0.16 0.00 -1.21 0.00 0.00 61.69 61.64 3fl9 s THR 152 Cb -0.08 -3.87 0.00 0.00 -1.51 0.00 0.00 72.50 67.04 3fl9 s THR 152 CO 0.10 0.42 0.56 -0.72 -2.21 0.00 0.00 174.62 172.77 3fl9 s TYR 153 N -0.13 0.17 0.05 9.09 -0.85 -1.26 -1.22 117.35 123.20 3fl9 s TYR 153 Ca 0.29 -0.56 0.02 0.00 -0.52 0.00 0.00 57.07 56.29 3fl9 s TYR 153 Cb -0.17 0.37 -0.03 0.00 0.38 0.00 0.00 41.96 42.51 3fl9 s TYR 153 CO 0.15 -1.07 -0.07 0.71 -1.52 0.00 0.00 175.55 173.74 3fl9 s TYR 154 N -3.98 0.65 -0.22 -3.49 1.51 -0.58 -0.51 117.35 110.72 3fl9 s TYR 154 Ca 0.18 -0.58 -0.12 0.00 -1.01 0.00 0.00 57.07 55.55 3fl9 s TYR 154 Cb -0.02 -0.39 -0.05 0.00 -0.11 0.00 0.00 41.96 41.38 3fl9 s TYR 154 CO 0.08 -0.11 0.21 0.71 -1.11 0.00 0.00 175.55 175.33 3fl9 s TYR 155 N -1.77 3.34 -0.03 2.71 4.12 0.52 -1.89 117.35 124.35 3fl9 s TYR 155 Ca -0.07 0.33 0.06 0.00 0.02 0.00 0.00 57.07 57.41 3fl9 s TYR 155 Cb -0.07 -2.32 -0.01 0.00 -1.52 0.00 0.00 41.96 38.04 3fl9 s TYR 155 CO -0.01 0.08 -0.20 -1.01 0.02 0.00 0.00 175.55 174.43 3fl9 s HIS 156 N 1.03 1.89 -0.07 2.71 3.76 -0.51 -0.87 115.29 123.23 3fl9 s HIS 156 Ca 0.10 -0.46 0.03 0.00 -0.15 0.00 0.00 55.06 54.59 3fl9 s HIS 156 Cb -0.14 -1.24 0.01 0.00 1.11 0.00 0.00 32.58 32.32 3fl9 s HIS 156 CO 0.05 -0.11 -0.17 0.08 -0.85 0.00 0.00 174.74 173.74 3fl9 s VAL 157 N -0.25 1.46 0.03 -0.90 1.01 -0.80 -0.80 120.40 120.14 3fl9 s VAL 157 Ca 0.02 -0.68 0.09 0.00 0.00 0.00 0.00 61.98 61.41 3fl9 s VAL 157 Cb -0.10 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 3fl9 s VAL 157 CO 0.01 0.43 -0.26 -0.31 0.00 0.00 0.00 175.10 174.97 3fl9 s TYR 158 N 0.49 2.26 -0.00 5.22 2.02 0.38 -1.12 117.35 126.60 3fl9 s TYR 158 Ca -0.15 -0.41 0.05 0.00 -0.37 0.00 0.00 57.07 56.19 3fl9 s TYR 158 Cb -0.16 -1.38 -0.02 0.00 -0.40 0.00 0.00 41.96 40.01 3fl9 s TYR 158 CO 0.05 0.09 -0.17 -1.21 -1.57 0.00 0.00 175.55 172.74 3fl9 s GLU 159 N -1.10 1.31 -0.06 -0.62 2.02 -0.17 -0.24 118.70 119.84 3fl9 s GLU 159 Ca 0.11 -0.65 -0.36 0.00 0.02 0.00 0.00 54.97 54.08 3fl9 s GLU 159 Cb -0.10 -1.29 -0.14 0.00 0.10 0.00 0.00 34.13 32.70 3fl9 s GLU 159 CO 0.01 0.35 1.67 1.17 0.02 0.00 0.00 175.26 178.48 3fl9 n LYS 160 N 2.49 1.65 -4.05 1.61 4.81 -1.11 -1.81 118.16 121.74 3fl9 n LYS 160 Ca -0.15 0.60 -0.22 0.00 -0.87 0.00 0.00 58.31 57.67 3fl9 n LYS 160 Cb 0.54 -2.34 -0.04 0.00 0.02 0.00 0.00 35.03 33.21 3fl9 n LYS 160 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 3fl9 s GLN 161 N 2.54 3.12 0.00 1.64 0.00 -1.26 -4.87 119.66 120.83 3fl9 s GLN 161 Ca 0.90 -0.91 0.00 0.00 -0.00 0.00 0.00 55.36 55.35 3fl9 s GLN 161 Cb -0.86 -2.70 0.00 0.00 0.00 0.00 0.00 33.01 29.45 3fl9 s GLN 161 CO 0.52 0.43 0.00 1.04 0.00 0.00 0.00 175.29 177.28