#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 5.20 -0.58 1.12 1.01 -0.58 -4.95 121.20 122.42 3fl9 s ILE 2 Ca 0.00 -0.06 -0.23 0.00 0.00 0.00 0.00 60.65 60.36 3fl9 s ILE 2 Cb 0.00 -3.58 0.05 0.00 0.01 0.00 0.00 42.46 38.95 3fl9 s ILE 2 CO 0.00 0.12 0.90 -0.69 0.00 0.00 0.00 174.94 175.27 3fl9 s VAL 3 N 1.73 4.45 -0.13 2.92 1.01 -1.26 -0.44 120.40 128.67 3fl9 s VAL 3 Ca 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 3fl9 s VAL 3 Cb -0.17 -4.54 -0.03 0.00 0.00 0.00 0.00 36.38 31.64 3fl9 s VAL 3 CO 0.10 -1.16 -0.05 -0.44 0.00 0.00 0.00 175.10 173.54 3fl9 s SER 4 N 3.07 4.70 -0.11 3.32 0.01 0.16 -1.45 113.70 123.40 3fl9 s SER 4 Ca 0.25 -0.11 -0.26 0.00 1.31 0.00 0.00 55.95 57.14 3fl9 s SER 4 Cb -0.15 -1.62 -0.02 0.00 0.21 0.00 0.00 66.02 64.44 3fl9 s SER 4 CO 0.15 0.22 0.82 -0.36 0.41 0.00 0.00 173.24 174.49 3fl9 s PHE 5 N 0.05 3.51 -0.32 2.43 0.40 -0.39 0.22 117.98 123.88 3fl9 s PHE 5 Ca -0.01 1.34 -0.03 0.00 -0.60 0.00 0.00 56.93 57.63 3fl9 s PHE 5 Cb -0.14 -2.98 0.05 0.00 0.51 0.00 0.00 43.02 40.47 3fl9 s PHE 5 CO 0.03 -0.11 0.04 1.41 0.70 0.00 0.00 175.22 177.29 3fl9 s MET 6 N 1.58 2.45 -0.04 0.44 -2.45 -0.08 -0.60 119.30 120.61 3fl9 s MET 6 Ca 0.41 -1.28 0.01 0.00 -1.25 0.00 0.00 55.69 53.58 3fl9 s MET 6 Cb -0.18 -3.29 0.02 0.00 1.25 0.00 0.00 34.83 32.63 3fl9 s MET 6 CO 0.17 -0.67 -0.06 0.54 1.05 0.00 0.00 175.02 176.05 3fl9 s VAL 7 N 1.29 0.61 -0.24 10.11 0.11 -0.58 -4.54 120.40 127.15 3fl9 s VAL 7 Ca -0.03 -0.20 -0.10 0.00 -2.93 0.00 0.00 61.98 58.72 3fl9 s VAL 7 Cb -0.20 -0.60 -0.05 0.00 -1.53 0.00 0.00 36.38 34.00 3fl9 s VAL 7 CO -0.00 0.23 0.15 0.00 -3.33 0.00 0.00 175.10 172.14 3fl9 s ALA 8 N 0.69 3.53 0.00 1.54 0.00 -1.26 0.24 121.76 126.49 3fl9 s ALA 8 Ca -0.10 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 50.92 3fl9 s ALA 8 Cb -0.13 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.70 3fl9 s ALA 8 CO 0.01 -0.27 0.00 -0.12 0.00 0.00 0.00 175.76 175.38 3fl9 n MET 9 N 4.45 3.84 -3.68 0.00 1.56 0.59 -4.47 117.12 119.42 3fl9 n MET 9 Ca -0.15 0.00 -0.15 0.00 -0.27 0.00 0.00 57.70 57.13 3fl9 n MET 9 Cb 0.52 0.00 -0.06 0.00 2.15 0.00 0.00 33.22 35.83 3fl9 n MET 9 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 3fl9 n ASP 10 N 0.00 -0.59 -0.12 6.12 2.03 -1.18 -3.31 116.55 119.51 3fl9 n ASP 10 Ca 0.00 -2.65 -0.11 0.00 0.52 0.00 0.00 54.79 52.54 3fl9 n ASP 10 Cb 0.00 1.34 0.02 0.00 -0.72 0.00 0.00 41.12 41.75 3fl9 n ASP 10 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3fl9 h GLU 11 N 0.00 0.90 -0.89 -0.67 4.11 -1.40 -3.14 114.58 113.48 3fl9 h GLU 11 Ca -0.18 -0.43 -0.57 0.00 0.07 0.00 0.00 59.36 58.25 3fl9 h GLU 11 Cb 0.91 -0.01 -0.30 0.00 0.50 0.00 0.00 28.75 29.86 3fl9 h GLU 11 CO 0.26 1.08 0.46 0.09 0.07 0.00 0.00 179.01 180.97 3fl9 n ASN 12 N -4.08 5.90 -1.04 3.06 3.02 -1.26 -4.91 115.26 115.95 3fl9 n ASN 12 Ca -0.01 -3.75 -0.12 0.00 -0.03 0.00 0.00 54.58 50.67 3fl9 n ASN 12 Cb 0.50 -0.81 -0.05 0.00 -0.61 0.00 0.00 39.78 38.81 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 -0.96 -1.55 -2.03 3.52 1.74 -1.19 -4.86 116.66 111.33 3fl9 n ARG 13 Ca 0.56 0.80 -0.43 0.00 -0.77 0.00 0.00 57.85 58.02 3fl9 n ARG 13 Cb 0.95 -5.04 -0.03 0.00 -1.02 0.00 0.00 32.46 27.32 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 -1.92 3.56 -1.38 1.55 1.01 -1.26 -0.43 120.40 121.51 3fl9 s VAL 14 Ca 0.00 0.60 0.15 0.00 0.00 0.00 0.00 61.98 62.74 3fl9 s VAL 14 Cb 0.00 -3.64 0.41 0.00 0.00 0.00 0.00 36.38 33.16 3fl9 s VAL 14 CO 0.00 -0.33 1.34 2.30 0.00 0.00 0.00 175.10 178.41 3fl9 n ILE 15 N 6.85 0.92 -2.95 2.22 -5.35 -0.50 -3.11 119.36 117.44 3fl9 n ILE 15 Ca 0.21 -0.96 0.00 0.00 -0.27 0.00 0.00 62.75 61.73 3fl9 n ILE 15 Cb 0.46 0.57 0.00 0.00 -1.74 0.00 0.00 39.64 38.92 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 0.95 -1.39 0.00 3.28 0.00 -1.16 -4.68 105.19 102.19 3fl9 n GLY 16 Ca 0.16 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.06 2.91 0.00 1.61 3.00 0.94 -2.11 118.16 124.45 3fl9 n LYS 17 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3fl9 n LYS 17 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3fl9 n LYS 17 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 3fl9 n ASP 18 N 0.00 0.68 0.00 3.14 5.68 -1.26 -3.09 116.55 121.70 3fl9 n ASP 18 Ca 0.00 -0.84 0.00 0.00 -0.50 0.00 0.00 54.79 53.45 3fl9 n ASP 18 Cb 0.00 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 39.77 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 19 N 0.44 0.00 -4.74 -1.12 3.02 -1.26 -5.08 115.26 106.52 3fl9 n ASN 19 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.32 3fl9 n ASN 19 Cb 0.14 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.41 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 0.00 4.49 0.05 6.41 -0.87 -1.26 -4.80 114.94 118.96 3fl9 s ASN 20 Ca 0.00 -0.44 -0.30 0.00 -1.57 0.00 0.00 52.86 50.55 3fl9 s ASN 20 Cb 0.00 0.02 -0.05 0.00 -0.02 0.00 0.00 41.25 41.20 3fl9 s ASN 20 CO 0.00 -1.76 1.10 -0.76 -2.57 0.00 0.00 177.10 173.11 3fl9 s LEU 21 N -5.06 4.39 0.00 0.60 1.02 -1.26 -0.04 118.68 118.32 3fl9 s LEU 21 Ca 0.65 1.89 0.14 0.00 0.02 0.00 0.00 54.13 56.83 3fl9 s LEU 21 Cb -0.05 -3.58 0.75 0.00 0.02 0.00 0.00 46.19 43.33 3fl9 s LEU 21 CO 0.43 -0.36 1.34 -2.65 0.02 0.00 0.00 176.35 175.14 3fl9 n PRO 22 N 3.73 0.28 -4.36 1.29 -0.02 -1.26 -4.77 135.00 129.88 3fl9 n PRO 22 Ca 0.07 0.11 -0.18 0.00 -2.02 0.00 0.00 63.50 61.47 3fl9 n PRO 22 Cb 0.48 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.36 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 -2.39 1.68 -0.48 6.00 -2.14 -1.26 -5.02 118.94 115.33 3fl9 s TRP 23 Ca 0.16 -1.12 0.04 0.00 2.66 0.00 0.00 56.10 57.84 3fl9 s TRP 23 Cb 0.09 -1.02 0.17 0.00 -3.10 0.00 0.00 33.47 29.61 3fl9 s TRP 23 CO 0.20 -0.23 0.37 0.50 -2.66 0.00 0.00 176.95 175.13 3fl9 s ARG 24 N -3.98 1.28 -0.37 3.25 3.52 -1.26 -5.06 118.95 116.32 3fl9 s ARG 24 Ca 0.37 -2.39 0.03 0.00 -0.13 0.00 0.00 55.73 53.61 3fl9 s ARG 24 Cb 0.08 -1.91 0.11 0.00 -1.56 0.00 0.00 34.95 31.67 3fl9 s ARG 24 CO 0.14 -1.36 0.10 -0.51 -0.81 0.00 0.00 175.30 172.86 3fl9 s LEU 25 N -0.28 4.77 0.32 -0.88 1.43 -1.26 -4.54 118.68 118.23 3fl9 s LEU 25 Ca 0.30 -2.27 0.11 0.00 -1.03 0.00 0.00 54.13 51.24 3fl9 s LEU 25 Cb 0.01 -1.65 0.52 0.00 0.03 0.00 0.00 46.19 45.09 3fl9 s LEU 25 CO -0.18 -0.38 1.71 -0.65 0.23 0.00 0.00 176.35 177.08 3fl9 h PRO 26 N 7.50 0.04 -0.49 1.29 0.11 -1.98 -1.96 132.00 136.51 3fl9 h PRO 26 Ca -0.05 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.95 3fl9 h PRO 26 Cb 1.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 3fl9 h PRO 26 CO 0.56 0.52 -0.03 1.03 -0.21 0.00 0.00 178.00 179.87 3fl9 h SER 27 N 0.03 0.87 0.46 -2.05 0.87 -1.91 -0.59 113.55 111.22 3fl9 h SER 27 Ca -0.00 -0.32 -0.02 0.00 -1.23 0.00 0.00 61.79 60.21 3fl9 h SER 27 Cb 0.87 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 3fl9 h SER 27 CO 0.07 0.98 -0.22 -0.08 -0.53 0.00 0.00 176.83 177.05 3fl9 h GLU 28 N 0.73 -0.59 -0.35 2.24 4.22 -1.89 -2.55 114.58 116.39 3fl9 h GLU 28 Ca 0.13 0.04 0.06 0.00 0.08 0.00 0.00 59.36 59.67 3fl9 h GLU 28 Cb 0.55 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 3fl9 h GLU 28 CO 0.03 -0.36 0.24 -0.07 -2.18 0.00 0.00 179.01 176.67 3fl9 h LEU 29 N -0.68 0.19 -0.72 1.64 3.38 -1.30 0.11 115.31 117.93 3fl9 h LEU 29 Ca -0.06 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 3fl9 h LEU 29 Cb 0.51 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3fl9 h LEU 29 CO 0.10 0.12 -0.09 -0.61 0.09 0.00 0.00 178.44 178.06 3fl9 h GLN 30 N 0.21 0.90 -0.28 1.13 5.75 -0.96 0.21 115.11 122.06 3fl9 h GLN 30 Ca 0.16 -0.30 -0.11 0.00 -0.15 0.00 0.00 58.65 58.25 3fl9 h GLN 30 Cb 0.35 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 3fl9 h GLN 30 CO -0.03 0.94 -0.27 -0.92 -2.65 0.00 0.00 178.83 175.91 3fl9 h TYR 31 N 0.81 0.64 0.13 3.99 3.20 -0.59 0.57 116.97 125.71 3fl9 h TYR 31 Ca 0.14 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 3fl9 h TYR 31 Cb 0.60 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.72 3fl9 h TYR 31 CO 0.04 0.78 -0.06 0.28 -1.64 0.00 0.00 178.16 177.55 3fl9 h VAL 32 N 0.49 1.04 -0.45 1.81 2.07 -1.02 0.38 116.25 120.57 3fl9 h VAL 32 Ca 0.07 -0.78 0.08 0.00 0.82 0.00 0.00 66.70 66.89 3fl9 h VAL 32 Cb 0.72 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.94 3fl9 h VAL 32 CO 0.06 0.18 0.08 0.50 0.02 0.00 0.00 177.57 178.41 3fl9 h LYS 33 N -0.54 0.21 0.05 1.57 3.64 -0.44 0.46 116.57 121.52 3fl9 h LYS 33 Ca -0.02 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3fl9 h LYS 33 Cb 0.43 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 3fl9 h LYS 33 CO 0.03 0.14 -0.22 -0.22 -2.27 0.00 0.00 179.45 176.91 3fl9 h LYS 34 N 0.22 -0.36 -0.41 1.90 3.64 0.18 -2.02 116.57 119.71 3fl9 h LYS 34 Ca 0.22 0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.48 3fl9 h LYS 34 Cb 0.29 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3fl9 h LYS 34 CO -0.30 -0.24 -0.34 1.15 -2.27 0.00 0.00 179.45 177.45 3fl9 h THR 35 N -0.38 1.27 -0.01 1.00 2.02 0.30 -3.25 112.91 113.87 3fl9 h THR 35 Ca 0.04 -1.51 0.00 0.00 0.77 0.00 0.00 66.41 65.71 3fl9 h THR 35 Cb 0.43 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 3fl9 h THR 35 CO -0.16 0.51 -0.31 1.07 0.37 0.00 0.00 175.52 177.00 3fl9 n THR 36 N -4.07 0.00 -1.69 3.16 5.66 0.16 -4.94 114.28 112.55 3fl9 n THR 36 Ca -0.02 -0.10 -0.43 0.00 -3.05 0.00 0.00 64.05 60.46 3fl9 n THR 36 Cb 0.52 0.34 -0.01 0.00 -1.55 0.00 0.00 70.33 69.64 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 -0.86 2.07 0.00 1.09 0.00 -0.76 -1.98 117.12 116.68 3fl9 n MET 37 Ca 0.11 0.73 0.00 0.00 0.00 0.00 0.00 57.70 58.53 3fl9 n MET 37 Cb 0.34 -2.29 0.00 0.00 0.00 0.00 0.00 33.22 31.27 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 0.83 2.46 3.49 -5.12 0.00 -1.15 -5.00 105.19 100.69 3fl9 n GLY 38 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.63 2.68 0.57 1.61 3.76 -0.84 -4.81 115.29 115.64 3fl9 s HIS 39 Ca 0.00 -0.18 -0.18 0.00 -0.15 0.00 0.00 55.06 54.55 3fl9 s HIS 39 Cb 0.00 -1.56 -0.07 0.00 1.11 0.00 0.00 32.58 32.05 3fl9 s HIS 39 CO 0.00 0.24 0.67 -2.30 -0.85 0.00 0.00 174.74 172.50 3fl9 n PRO 40 N 1.88 0.64 -3.87 8.40 -0.02 -1.26 -4.04 135.00 136.74 3fl9 n PRO 40 Ca -0.16 0.25 -0.36 0.00 -2.02 0.00 0.00 63.50 61.21 3fl9 n PRO 40 Cb 0.52 -1.85 -0.14 0.00 -0.02 0.00 0.00 33.50 32.02 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 -0.14 3.15 -0.47 2.45 1.02 0.61 -2.64 118.68 122.66 3fl9 s LEU 41 Ca 0.71 -0.46 -0.12 0.00 0.02 0.00 0.00 54.13 54.27 3fl9 s LEU 41 Cb -0.44 -1.78 0.09 0.00 0.02 0.00 0.00 46.19 44.08 3fl9 s LEU 41 CO 0.52 -0.06 0.36 -0.63 0.02 0.00 0.00 176.35 176.56 3fl9 s ILE 42 N 1.49 4.72 0.03 -0.59 -1.09 -0.56 -0.60 121.20 124.59 3fl9 s ILE 42 Ca 0.05 -1.39 -0.01 0.00 -2.23 0.00 0.00 60.65 57.06 3fl9 s ILE 42 Cb -0.15 -3.93 -0.02 0.00 -1.58 0.00 0.00 42.46 36.78 3fl9 s ILE 42 CO -0.01 -0.65 -0.00 0.00 -1.23 0.00 0.00 174.94 173.05 3fl9 s MET 43 N 1.51 0.42 0.00 2.79 0.23 -1.01 0.84 119.30 124.08 3fl9 s MET 43 Ca 0.04 -0.74 0.00 0.00 -1.03 0.00 0.00 55.69 53.96 3fl9 s MET 43 Cb -0.25 0.15 0.00 0.00 -1.53 0.00 0.00 34.83 33.20 3fl9 s MET 43 CO 0.03 -0.08 0.00 0.41 -2.03 0.00 0.00 175.02 173.35 3fl9 n GLY 44 N 1.17 -2.70 0.11 3.16 0.00 -1.22 -2.98 105.19 102.72 3fl9 n GLY 44 Ca -0.21 -1.37 -0.21 0.00 0.00 0.00 0.00 46.02 44.23 3fl9 n GLY 44 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3fl9 h ARG 45 N 0.00 0.09 0.00 1.61 2.43 -1.95 -2.42 114.38 114.15 3fl9 h ARG 45 Ca 0.00 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 58.97 3fl9 h ARG 45 Cb 0.00 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3fl9 h ARG 45 CO 0.00 1.08 -0.18 -0.22 -1.51 0.00 0.00 179.97 179.14 3fl9 h LYS 46 N -0.69 0.00 0.00 0.20 3.64 -1.94 -2.55 116.57 115.22 3fl9 h LYS 46 Ca -0.31 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 58.85 3fl9 h LYS 46 Cb 1.48 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.26 3fl9 h LYS 46 CO -0.08 0.18 -1.11 -0.97 -2.27 0.00 0.00 179.45 175.20 3fl9 h ASN 47 N 0.00 0.00 1.24 4.20 -0.73 -1.93 -2.08 115.58 116.28 3fl9 h ASN 47 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 3fl9 h ASN 47 Cb 0.82 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.41 3fl9 h ASN 47 CO 0.02 0.98 0.00 0.00 -0.37 0.00 0.00 177.43 178.06 3fl9 n TYR 48 N -3.29 0.76 0.78 0.67 9.36 -0.91 -2.52 117.16 122.01 3fl9 n TYR 48 Ca -0.03 0.24 0.09 0.00 3.32 0.00 0.00 57.90 61.51 3fl9 n TYR 48 Cb 0.95 -0.88 -0.01 0.00 -0.63 0.00 0.00 39.34 38.76 3fl9 n TYR 48 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 3fl9 n GLU 49 N -2.13 1.57 -0.02 2.98 1.02 -0.98 -0.92 120.64 122.15 3fl9 n GLU 49 Ca 0.05 -0.76 -0.04 0.00 -0.02 0.00 0.00 57.16 56.40 3fl9 n GLU 49 Cb 0.37 -1.32 -0.03 0.00 -0.02 0.00 0.00 31.44 30.45 3fl9 n GLU 49 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fl9 h ALA 50 N 2.96 -0.09 -0.06 0.62 0.00 -1.12 -3.31 119.26 118.27 3fl9 h ALA 50 Ca 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.86 3fl9 h ALA 50 Cb 0.57 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3fl9 h ALA 50 CO 0.00 -0.09 -0.24 0.82 0.00 0.00 0.00 179.25 179.74 3fl9 h ILE 51 N -1.01 0.43 0.00 0.00 5.03 -1.67 -3.46 117.51 116.82 3fl9 h ILE 51 Ca -0.01 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.73 3fl9 h ILE 51 Cb 0.21 0.43 0.00 0.00 -3.03 0.00 0.00 36.82 34.43 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 -1.37 1.94 3.43 5.37 0.00 -0.10 -4.95 105.19 109.51 3fl9 n GLY 52 Ca -0.04 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 3fl9 n GLY 52 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3fl9 s ARG 53 N 0.00 3.53 -0.37 1.61 3.52 -1.26 -4.83 118.95 121.15 3fl9 s ARG 53 Ca 0.00 -0.59 -0.27 0.00 -0.13 0.00 0.00 55.73 54.74 3fl9 s ARG 53 Cb 0.00 -2.83 -0.06 0.00 -1.56 0.00 0.00 34.95 30.50 3fl9 s ARG 53 CO 0.00 0.17 2.32 -2.14 -0.81 0.00 0.00 175.30 174.83 3fl9 s PRO 54 N 0.53 2.56 -0.26 5.12 0.02 -1.26 -4.90 135.00 136.81 3fl9 s PRO 54 Ca -0.05 1.66 -0.29 0.00 0.02 0.00 0.00 61.00 62.35 3fl9 s PRO 54 Cb -0.15 -4.49 -0.03 0.00 0.02 0.00 0.00 34.50 29.86 3fl9 s PRO 54 CO 0.03 -2.76 1.77 -0.51 -0.33 0.00 0.00 177.00 175.20 3fl9 s LEU 55 N 10.46 3.71 0.21 -5.54 1.43 -1.26 -4.95 118.68 122.74 3fl9 s LEU 55 Ca 0.98 1.55 -0.30 0.00 -1.03 0.00 0.00 54.13 55.34 3fl9 s LEU 55 Cb -0.24 -3.53 -0.08 0.00 0.03 0.00 0.00 46.19 42.37 3fl9 s LEU 55 CO 0.30 -1.51 1.13 -2.84 0.23 0.00 0.00 176.35 173.66 3fl9 s PRO 56 N 5.24 4.57 0.00 1.29 0.02 -1.26 -4.02 135.00 140.84 3fl9 s PRO 56 Ca 0.79 1.80 0.00 0.00 0.02 0.00 0.00 61.00 63.60 3fl9 s PRO 56 Cb -0.25 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.03 3fl9 s PRO 56 CO 0.32 0.06 0.00 0.41 -0.33 0.00 0.00 177.00 177.47 3fl9 n GLY 57 N 1.81 1.45 2.86 0.52 0.00 -1.26 -4.98 105.19 105.59 3fl9 n GLY 57 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.17 0.18 -0.53 1.61 0.52 -1.26 -2.94 118.95 116.36 3fl9 s ARG 58 Ca 0.00 0.01 -0.29 0.00 -0.52 0.00 0.00 55.73 54.93 3fl9 s ARG 58 Cb 0.00 -0.27 -0.11 0.00 0.52 0.00 0.00 34.95 35.10 3fl9 s ARG 58 CO 0.00 -0.04 2.41 0.54 0.02 0.00 0.00 175.30 178.23 3fl9 n ARG 59 N 3.51 0.95 -2.30 3.54 1.74 -1.26 -4.64 116.66 118.21 3fl9 n ARG 59 Ca -0.19 0.11 -0.36 0.00 -0.77 0.00 0.00 57.85 56.65 3fl9 n ARG 59 Cb 0.55 -2.86 -0.04 0.00 -1.02 0.00 0.00 32.46 29.10 3fl9 n ARG 59 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3fl9 s ASN 60 N 10.23 5.77 -0.24 0.55 0.02 -1.26 -0.29 114.94 129.72 3fl9 s ASN 60 Ca 1.08 -0.67 -0.10 0.00 -1.02 0.00 0.00 52.86 52.15 3fl9 s ASN 60 Cb -0.53 -2.56 -0.05 0.00 0.02 0.00 0.00 41.25 38.13 3fl9 s ASN 60 CO 0.36 -2.13 0.16 -0.63 0.02 0.00 0.00 177.10 174.88 3fl9 s ILE 61 N 7.52 5.36 0.01 0.60 1.01 0.23 0.15 121.20 136.08 3fl9 s ILE 61 Ca 0.56 0.18 0.05 0.00 0.00 0.00 0.00 60.65 61.44 3fl9 s ILE 61 Cb -0.06 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 3fl9 s ILE 61 CO 0.04 0.35 -0.15 -0.63 0.00 0.00 0.00 174.94 174.54 3fl9 s ILE 62 N 1.02 2.99 -0.18 2.92 1.01 0.25 -2.41 121.20 126.80 3fl9 s ILE 62 Ca 0.08 -0.99 -0.00 0.00 0.00 0.00 0.00 60.65 59.74 3fl9 s ILE 62 Cb -0.13 -2.24 0.01 0.00 0.01 0.00 0.00 42.46 40.11 3fl9 s ILE 62 CO 0.04 0.42 -0.15 -0.69 0.00 0.00 0.00 174.94 174.56 3fl9 s VAL 63 N -0.88 2.52 -0.02 2.92 1.01 -1.16 0.14 120.40 124.94 3fl9 s VAL 63 Ca 0.14 -0.79 -0.20 0.00 0.00 0.00 0.00 61.98 61.13 3fl9 s VAL 63 Cb -0.11 -2.08 0.04 0.00 0.00 0.00 0.00 36.38 34.23 3fl9 s VAL 63 CO 0.04 0.51 0.42 0.28 0.00 0.00 0.00 175.10 176.35 3fl9 s THR 64 N 1.17 0.04 0.01 3.92 -1.32 -0.67 -4.14 115.64 114.65 3fl9 s THR 64 Ca 0.02 -0.34 -0.14 0.00 -1.21 0.00 0.00 61.69 60.02 3fl9 s THR 64 Cb -0.14 -0.74 -0.08 0.00 -1.51 0.00 0.00 72.50 70.03 3fl9 s THR 64 CO -0.06 -0.19 0.94 0.03 -2.21 0.00 0.00 174.62 173.13 3fl9 h ARG 65 N 3.57 -0.48 -4.62 7.08 3.08 -1.89 -3.36 114.38 117.77 3fl9 h ARG 65 Ca -0.29 0.03 -0.57 0.00 0.07 0.00 0.00 59.98 59.23 3fl9 h ARG 65 Cb 1.17 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 31.28 3fl9 h ARG 65 CO 0.40 -0.32 1.14 -1.71 -1.07 0.00 0.00 179.97 178.42 3fl9 n ASN 66 N -3.69 0.51 0.00 7.04 5.15 -1.26 -4.75 115.26 118.26 3fl9 n ASN 66 Ca -0.06 0.45 0.09 0.00 -0.60 0.00 0.00 54.58 54.46 3fl9 n ASN 66 Cb 0.20 -0.73 0.46 0.00 -0.53 0.00 0.00 39.78 39.18 3fl9 n ASN 66 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 3fl9 n GLU 67 N 6.21 0.15 -0.49 1.20 0.28 -1.26 -2.42 120.64 124.31 3fl9 n GLU 67 Ca 0.46 0.13 0.09 0.00 -0.16 0.00 0.00 57.16 57.69 3fl9 n GLU 67 Cb -0.02 -1.50 0.32 0.00 1.43 0.00 0.00 31.44 31.67 3fl9 n GLU 67 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3fl9 n GLY 68 N 0.43 2.79 3.64 -1.84 0.00 -1.26 -4.95 105.19 103.99 3fl9 n GLY 68 Ca 0.07 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.60 3.18 0.23 1.61 5.04 -1.01 -5.02 117.35 119.77 3fl9 s TYR 69 Ca 0.47 1.18 0.09 0.00 -2.44 0.00 0.00 57.07 56.36 3fl9 s TYR 69 Cb 0.29 -3.56 -0.05 0.00 0.35 0.00 0.00 41.96 38.98 3fl9 s TYR 69 CO 0.25 -0.70 -0.15 -1.01 -1.34 0.00 0.00 175.55 172.59 3fl9 s HIS 70 N 3.49 1.87 -0.29 4.97 3.76 -1.26 -4.85 115.29 122.97 3fl9 s HIS 70 Ca 0.43 -0.52 -0.17 0.00 -0.15 0.00 0.00 55.06 54.66 3fl9 s HIS 70 Cb -0.13 -0.86 0.14 0.00 1.11 0.00 0.00 32.58 32.85 3fl9 s HIS 70 CO 0.14 0.45 0.97 0.54 -0.85 0.00 0.00 174.74 175.98 3fl9 s VAL 71 N -2.86 0.00 0.28 -0.90 0.11 -1.26 -5.15 120.40 110.62 3fl9 s VAL 71 Ca 0.25 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.00 3fl9 s VAL 71 Cb -0.02 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.73 3fl9 s VAL 71 CO 0.09 0.00 1.40 -0.70 -3.33 0.00 0.00 175.10 172.56 3fl9 s GLU 72 N 1.25 4.29 -0.15 1.54 2.56 -1.26 -2.94 118.70 123.99 3fl9 s GLU 72 Ca -0.08 2.29 0.00 0.00 0.00 0.00 0.00 54.97 57.18 3fl9 s GLU 72 Cb -0.04 -3.09 0.00 0.00 2.00 0.00 0.00 34.13 33.00 3fl9 s GLU 72 CO -0.14 -0.35 0.00 0.41 -0.56 0.00 0.00 175.26 174.61 3fl9 n GLY 73 N 1.68 0.51 3.17 -1.50 0.00 -1.26 -4.98 105.19 102.80 3fl9 n GLY 73 Ca 0.04 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.37 3.71 -0.23 0.00 2.02 0.40 -4.70 118.70 118.54 3fl9 s GLU 75 Ca -0.14 -0.14 -0.06 0.00 0.02 0.00 0.00 54.97 54.65 3fl9 s GLU 75 Cb -0.07 -3.27 -0.02 0.00 0.10 0.00 0.00 34.13 30.87 3fl9 s GLU 75 CO 0.03 0.61 0.01 0.08 0.02 0.00 0.00 175.26 176.02 3fl9 s VAL 76 N -0.56 3.91 -0.02 2.63 1.01 -1.26 0.84 120.40 126.95 3fl9 s VAL 76 Ca 0.13 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 61.87 3fl9 s VAL 76 Cb -0.12 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 3fl9 s VAL 76 CO 0.02 0.39 -0.25 0.00 0.00 0.00 0.00 175.10 175.26 3fl9 s ALA 77 N 1.38 2.19 -1.46 5.51 0.00 0.12 -4.94 121.76 124.56 3fl9 s ALA 77 Ca 0.05 -1.11 0.15 0.00 0.00 0.00 0.00 51.96 51.05 3fl9 s ALA 77 Cb -0.15 -0.58 0.37 0.00 0.00 0.00 0.00 23.12 22.77 3fl9 s ALA 77 CO 0.01 0.53 1.28 0.72 0.00 0.00 0.00 175.76 178.30 3fl9 n HIS 78 N 2.45 0.52 -4.24 0.00 8.25 -1.26 -1.68 115.22 119.26 3fl9 n HIS 78 Ca -0.16 -0.39 -0.19 0.00 -0.26 0.00 0.00 57.72 56.72 3fl9 n HIS 78 Cb 0.51 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.54 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 -1.07 1.56 -0.10 0.41 0.01 -1.26 -4.69 113.70 108.56 3fl9 s SER 79 Ca 0.30 -1.72 0.02 0.00 1.31 0.00 0.00 55.95 55.86 3fl9 s SER 79 Cb 0.16 0.59 -0.24 0.00 0.21 0.00 0.00 66.02 66.74 3fl9 s SER 79 CO 0.22 -1.13 0.43 0.52 0.41 0.00 0.00 173.24 173.70 3fl9 n VAL 80 N -0.62 1.68 -0.33 3.43 0.31 -1.26 -3.58 118.33 117.96 3fl9 n VAL 80 Ca 0.06 -0.72 0.04 0.00 -0.01 0.00 0.00 64.34 63.71 3fl9 n VAL 80 Cb 0.62 -1.39 0.22 0.00 -0.91 0.00 0.00 33.84 32.38 3fl9 n VAL 80 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3fl9 h GLU 81 N 0.04 1.05 -0.01 5.55 4.81 -1.99 -2.18 114.58 121.84 3fl9 h GLU 81 Ca -0.39 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 58.60 3fl9 h GLU 81 Cb 2.03 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 31.16 3fl9 h GLU 81 CO 0.07 0.69 -0.80 0.93 -0.73 0.00 0.00 179.01 179.17 3fl9 h GLU 82 N 1.08 0.19 0.02 1.92 5.08 -1.95 -1.92 114.58 118.99 3fl9 h GLU 82 Ca 0.41 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3fl9 h GLU 82 Cb 0.21 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3fl9 h GLU 82 CO -0.16 0.89 -0.01 0.28 -1.00 0.00 0.00 179.01 179.01 3fl9 h VAL 83 N 0.12 1.33 -0.48 3.13 2.07 -1.56 -1.16 116.25 119.69 3fl9 h VAL 83 Ca -0.03 -1.07 0.08 0.00 0.82 0.00 0.00 66.70 66.49 3fl9 h VAL 83 Cb 1.40 2.05 -0.03 0.00 -1.52 0.00 0.00 31.29 33.19 3fl9 h VAL 83 CO 0.12 0.27 0.33 -0.26 0.02 0.00 0.00 177.57 178.05 3fl9 h PHE 84 N -0.49 0.34 -0.39 1.57 0.04 -1.42 0.55 116.94 117.14 3fl9 h PHE 84 Ca -0.00 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.73 3fl9 h PHE 84 Cb 0.47 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 3fl9 h PHE 84 CO 0.08 0.18 0.06 1.49 -0.60 0.00 0.00 178.31 179.52 3fl9 h GLU 85 N 0.33 0.64 0.27 1.51 4.57 -1.23 -0.69 114.58 119.98 3fl9 h GLU 85 Ca 0.22 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 3fl9 h GLU 85 Cb 0.42 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 3fl9 h GLU 85 CO -0.05 0.70 -0.13 -0.07 -1.18 0.00 0.00 179.01 178.28 3fl9 h LEU 86 N 0.49 -0.31 -0.98 1.64 3.38 0.30 -3.11 115.31 116.72 3fl9 h LEU 86 Ca 0.12 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3fl9 h LEU 86 Cb 0.37 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3fl9 h LEU 86 CO 0.01 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.65 3fl9 h LYS 88 N 0.02 0.00 -0.23 0.00 3.64 -1.05 -0.33 116.57 118.62 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 0.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3fl9 h LYS 88 CO 0.00 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.27 3fl9 n ASN 89 N -3.63 2.79 -4.86 4.20 5.03 -1.26 -5.02 115.26 112.51 3fl9 n ASN 89 Ca -0.02 -1.82 -0.30 0.00 0.87 0.00 0.00 54.58 53.31 3fl9 n ASN 89 Cb 0.16 -0.15 0.04 0.00 -1.02 0.00 0.00 39.78 38.81 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 -1.20 3.03 -0.20 3.52 0.41 -0.13 -5.00 118.70 119.12 3fl9 s GLU 90 Ca 0.25 0.62 0.17 0.00 -0.41 0.00 0.00 54.97 55.61 3fl9 s GLU 90 Cb 0.15 -2.03 -0.24 0.00 -1.78 0.00 0.00 34.13 30.23 3fl9 s GLU 90 CO 0.22 -0.95 0.05 -0.85 -0.49 0.00 0.00 175.26 173.24 3fl9 n GLU 91 N -2.98 0.69 -3.64 1.61 0.28 -1.26 -4.36 120.64 110.98 3fl9 n GLU 91 Ca 0.07 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 57.00 3fl9 n GLU 91 Cb 0.56 -1.52 -0.07 0.00 1.43 0.00 0.00 31.44 31.84 3fl9 n GLU 91 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 3fl9 s GLU 92 N -2.49 0.67 0.07 3.44 2.12 -1.26 -1.53 118.70 119.71 3fl9 s GLU 92 Ca -0.12 1.09 0.09 0.00 0.36 0.00 0.00 54.97 56.39 3fl9 s GLU 92 Cb 0.06 0.17 -0.03 0.00 0.26 0.00 0.00 34.13 34.59 3fl9 s GLU 92 CO 0.81 -0.13 -0.21 0.96 -0.54 0.00 0.00 175.26 176.15 3fl9 s ILE 93 N 1.38 2.58 -0.27 -3.70 -4.36 0.41 -4.14 121.20 113.11 3fl9 s ILE 93 Ca -0.08 -1.39 -0.04 0.00 -0.26 0.00 0.00 60.65 58.89 3fl9 s ILE 93 Cb -0.05 -2.10 0.02 0.00 1.25 0.00 0.00 42.46 41.58 3fl9 s ILE 93 CO -0.16 0.25 0.01 -0.36 0.24 0.00 0.00 174.94 174.92 3fl9 s PHE 94 N -0.97 3.12 -0.08 1.37 0.08 -1.08 0.39 117.98 120.81 3fl9 s PHE 94 Ca 0.15 -1.36 -0.30 0.00 0.12 0.00 0.00 56.93 55.54 3fl9 s PHE 94 Cb -0.10 -2.15 -0.04 0.00 -0.57 0.00 0.00 43.02 40.16 3fl9 s PHE 94 CO 0.06 -0.68 1.50 0.42 -0.10 0.00 0.00 175.22 176.41 3fl9 s ILE 95 N 1.39 3.81 -0.14 0.64 -1.09 0.61 -1.50 121.20 124.91 3fl9 s ILE 95 Ca 0.00 1.02 0.07 0.00 -2.23 0.00 0.00 60.65 59.51 3fl9 s ILE 95 Cb -0.17 -3.66 -0.13 0.00 -1.58 0.00 0.00 42.46 36.92 3fl9 s ILE 95 CO -0.01 -0.08 -0.04 0.33 -1.23 0.00 0.00 174.94 173.91 3fl9 n PHE 96 N 6.68 0.00 -3.48 3.97 7.35 0.25 -0.90 117.46 131.32 3fl9 n PHE 96 Ca 0.16 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.74 3fl9 n PHE 96 Cb 0.43 -0.62 -0.02 0.00 0.35 0.00 0.00 39.48 39.62 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 -5.00 -0.53 0.00 7.13 0.00 -1.25 -4.83 107.32 102.84 3fl9 s GLY 97 Ca -0.13 0.58 0.00 0.00 0.00 0.00 0.00 44.72 45.17 3fl9 s GLY 97 CO 0.45 0.19 0.00 0.61 0.00 0.00 0.00 173.10 174.35 3fl9 n GLY 98 N -0.35 -1.04 0.38 0.20 0.00 -1.26 -3.41 105.19 99.70 3fl9 n GLY 98 Ca -0.13 -0.85 0.20 0.00 0.00 0.00 0.00 46.02 45.23 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 2.45 0.10 4.61 0.00 -1.99 0.64 119.26 125.07 3fl9 h ALA 99 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 3fl9 h ALA 99 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3fl9 h ALA 99 CO 0.00 -0.61 -1.17 1.96 0.00 0.00 0.00 179.25 179.43 3fl9 h GLN 100 N 0.00 0.27 -0.20 0.00 1.08 -1.94 -2.19 115.11 112.12 3fl9 h GLN 100 Ca 0.23 -0.42 -0.21 0.00 -1.45 0.00 0.00 58.65 56.80 3fl9 h GLN 100 Cb 0.95 0.15 0.01 0.00 -0.05 0.00 0.00 27.48 28.54 3fl9 h GLN 100 CO -0.00 1.18 -0.69 0.82 -0.95 0.00 0.00 178.83 179.19 3fl9 h ILE 101 N 0.09 1.28 -0.21 2.54 1.08 -1.43 0.77 117.51 121.63 3fl9 h ILE 101 Ca -0.11 -1.88 0.02 0.00 -0.39 0.00 0.00 64.86 62.49 3fl9 h ILE 101 Cb 1.88 1.85 -0.02 0.00 -3.07 0.00 0.00 36.82 37.46 3fl9 h ILE 101 CO 0.19 0.60 0.08 1.88 -0.69 0.00 0.00 178.15 180.22 3fl9 h TYR 102 N 0.58 0.15 -0.18 1.37 0.05 -0.99 -1.44 116.97 116.52 3fl9 h TYR 102 Ca -0.03 0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.81 3fl9 h TYR 102 Cb 1.31 -0.04 -0.07 0.00 1.01 0.00 0.00 36.73 38.94 3fl9 h TYR 102 CO 0.08 0.08 -0.35 -0.44 -1.05 0.00 0.00 178.16 176.48 3fl9 h ASP 103 N 0.19 -1.12 -0.98 3.88 3.32 -1.19 0.53 116.42 121.06 3fl9 h ASP 103 Ca 0.09 0.16 0.26 0.00 0.02 0.00 0.00 57.03 57.56 3fl9 h ASP 103 Cb 0.04 0.47 -0.06 0.00 0.22 0.00 0.00 39.33 40.01 3fl9 h ASP 103 CO -0.08 -0.37 0.67 -0.07 -1.72 0.00 0.00 179.24 177.66 3fl9 h LEU 104 N -0.40 0.23 -2.36 1.55 3.38 -0.50 -0.17 115.31 117.04 3fl9 h LEU 104 Ca 0.10 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3fl9 h LEU 104 Cb 0.57 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3fl9 h LEU 104 CO -0.40 0.07 0.00 0.49 0.09 0.00 0.00 178.44 178.69 3fl9 n PHE 105 N -4.42 0.41 -0.23 1.13 3.72 -0.31 -4.56 117.46 113.20 3fl9 n PHE 105 Ca 0.22 -0.30 -0.01 0.00 -0.05 0.00 0.00 57.45 57.30 3fl9 n PHE 105 Cb 0.91 -0.01 0.10 0.00 -0.94 0.00 0.00 39.48 39.54 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 3.04 0.53 0.00 4.37 5.85 0.19 -2.44 115.31 126.86 3fl9 h LEU 106 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3fl9 h LEU 106 Cb 0.77 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.73 3fl9 h LEU 106 CO 0.00 0.34 0.00 -2.65 -0.34 0.00 0.00 178.44 175.79 3fl9 n PRO 107 N -4.80 0.56 -0.05 5.25 -0.02 -1.26 -3.09 135.00 131.59 3fl9 n PRO 107 Ca 0.09 0.02 0.01 0.00 -2.02 0.00 0.00 63.50 61.59 3fl9 n PRO 107 Cb 0.18 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.17 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 -1.04 0.00 -2.98 6.00 4.01 -0.93 -5.08 117.16 117.14 3fl9 n TYR 108 Ca 0.14 -0.29 -0.40 0.00 -0.16 0.00 0.00 57.90 57.19 3fl9 n TYR 108 Cb 0.08 -0.04 -0.05 0.00 -0.31 0.00 0.00 39.34 39.02 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 -0.65 4.81 -0.06 -0.72 0.11 -1.14 -4.35 120.40 118.40 3fl9 s VAL 109 Ca 0.03 1.61 0.10 0.00 -2.93 0.00 0.00 61.98 60.78 3fl9 s VAL 109 Cb 0.02 -4.11 -0.15 0.00 -1.53 0.00 0.00 36.38 30.62 3fl9 s VAL 109 CO 0.00 0.33 0.13 0.47 -3.33 0.00 0.00 175.10 172.70 3fl9 n ASP 110 N 3.09 2.46 -3.86 3.54 8.00 -0.53 -4.90 116.55 124.35 3fl9 n ASP 110 Ca -0.02 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.37 3fl9 n ASP 110 Cb 0.51 1.09 -0.09 0.00 -0.02 0.00 0.00 41.12 42.60 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 -2.48 0.54 -0.22 -1.24 2.20 -1.22 -3.06 119.74 114.26 3fl9 s LYS 111 Ca -0.05 -0.43 -0.02 0.00 -0.36 0.00 0.00 55.97 55.11 3fl9 s LYS 111 Cb 0.05 0.23 0.07 0.00 -1.51 0.00 0.00 37.83 36.66 3fl9 s LYS 111 CO 0.44 -0.14 0.02 -0.51 -0.36 0.00 0.00 175.35 174.81 3fl9 s LEU 112 N -1.53 1.66 -0.42 5.43 1.43 -0.42 -1.26 118.68 123.57 3fl9 s LEU 112 Ca -0.13 -1.03 -0.22 0.00 -1.03 0.00 0.00 54.13 51.72 3fl9 s LEU 112 Cb -0.06 -0.77 0.02 0.00 0.03 0.00 0.00 46.19 45.41 3fl9 s LEU 112 CO 0.01 -0.31 0.74 -0.31 0.23 0.00 0.00 176.35 176.72 3fl9 s TYR 113 N 1.72 3.05 -0.30 0.29 1.51 0.23 0.31 117.35 124.16 3fl9 s TYR 113 Ca -0.01 0.25 0.02 0.00 -1.01 0.00 0.00 57.07 56.33 3fl9 s TYR 113 Cb -0.18 -3.49 0.09 0.00 -0.11 0.00 0.00 41.96 38.28 3fl9 s TYR 113 CO -0.10 -0.86 0.02 0.42 -1.11 0.00 0.00 175.55 173.91 3fl9 s ILE 114 N 3.10 1.90 -0.21 2.71 1.01 0.31 -1.53 121.20 128.49 3fl9 s ILE 114 Ca 0.28 -1.89 -0.29 0.00 0.00 0.00 0.00 60.65 58.76 3fl9 s ILE 114 Cb -0.13 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 40.04 3fl9 s ILE 114 CO 0.20 -0.44 1.01 -0.89 0.00 0.00 0.00 174.94 174.82 3fl9 s THR 115 N 1.13 4.72 -0.24 2.92 2.01 0.14 -1.75 115.64 124.57 3fl9 s THR 115 Ca 0.05 1.98 -0.05 0.00 0.31 0.00 0.00 61.69 63.98 3fl9 s THR 115 Cb -0.19 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.03 3fl9 s THR 115 CO -0.10 -0.13 0.00 -0.54 -0.69 0.00 0.00 174.62 173.16 3fl9 s LYS 116 N 2.92 3.35 0.25 4.92 1.02 -0.89 0.22 119.74 131.53 3fl9 s LYS 116 Ca 0.44 -0.66 -0.30 0.00 0.02 0.00 0.00 55.97 55.47 3fl9 s LYS 116 Cb -0.16 -3.14 -0.09 0.00 -0.52 0.00 0.00 37.83 33.92 3fl9 s LYS 116 CO 0.08 -0.25 0.95 0.42 -0.92 0.00 0.00 175.35 175.64 3fl9 s ILE 117 N 1.50 4.02 -1.32 2.17 1.09 -1.21 -2.66 121.20 124.80 3fl9 s ILE 117 Ca 0.05 2.03 -0.06 0.00 -1.10 0.00 0.00 60.65 61.57 3fl9 s ILE 117 Cb -0.15 -4.28 0.12 0.00 -1.06 0.00 0.00 42.46 37.09 3fl9 s ILE 117 CO -0.01 0.47 2.32 1.41 -0.10 0.00 0.00 174.94 179.03 3fl9 n HIS 118 N 1.43 2.64 -3.49 3.97 8.25 -0.21 -2.72 115.22 125.09 3fl9 n HIS 118 Ca -0.02 -2.82 -0.16 0.00 -0.26 0.00 0.00 57.72 54.46 3fl9 n HIS 118 Cb 0.47 -1.86 -0.05 0.00 1.12 0.00 0.00 29.99 29.68 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 -0.91 -0.61 -0.68 4.41 5.04 -1.26 -4.76 115.29 116.52 3fl9 s HIS 119 Ca 0.52 0.87 -0.16 0.00 -1.54 0.00 0.00 55.06 54.75 3fl9 s HIS 119 Cb 0.17 0.46 0.16 0.00 0.04 0.00 0.00 32.58 33.41 3fl9 s HIS 119 CO -0.08 -0.67 0.68 0.00 -2.34 0.00 0.00 174.74 172.32 3fl9 s ALA 120 N -1.98 3.74 0.11 1.58 0.00 -1.26 -2.97 121.76 120.99 3fl9 s ALA 120 Ca -0.07 -2.78 -0.10 0.00 0.00 0.00 0.00 51.96 49.01 3fl9 s ALA 120 Cb -0.00 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.60 3fl9 s ALA 120 CO 0.03 -2.24 0.44 -0.06 0.00 0.00 0.00 175.76 173.93 3fl9 s PHE 121 N 1.36 3.57 -0.06 0.00 0.40 -1.26 -5.06 117.98 116.92 3fl9 s PHE 121 Ca 0.12 0.84 -0.28 0.00 -0.60 0.00 0.00 56.93 57.01 3fl9 s PHE 121 Cb -0.20 -2.20 -0.02 0.00 0.51 0.00 0.00 43.02 41.10 3fl9 s PHE 121 CO -0.02 0.47 0.91 -2.00 0.70 0.00 0.00 175.22 175.29 3fl9 s GLU 122 N -2.05 4.46 0.21 0.44 2.56 -1.26 -4.90 118.70 118.17 3fl9 s GLU 122 Ca 0.36 1.24 0.00 0.00 0.00 0.00 0.00 54.97 56.58 3fl9 s GLU 122 Cb -0.14 -3.49 -0.00 0.00 2.00 0.00 0.00 34.13 32.50 3fl9 s GLU 122 CO 0.19 -0.13 0.27 0.41 -0.56 0.00 0.00 175.26 175.44 3fl9 n GLY 123 N 3.07 2.71 0.89 -1.50 0.00 -1.26 -4.85 105.19 104.25 3fl9 n GLY 123 Ca 0.05 -1.60 -0.01 0.00 0.00 0.00 0.00 46.02 44.46 3fl9 n GLY 123 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3fl9 n ASP 124 N -1.91 0.95 -4.68 1.61 2.03 -0.90 -4.92 116.55 108.72 3fl9 n ASP 124 Ca 0.02 0.13 -0.43 0.00 0.52 0.00 0.00 54.79 55.03 3fl9 n ASP 124 Cb 0.37 -0.32 -0.02 0.00 -0.72 0.00 0.00 41.12 40.42 3fl9 n ASP 124 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3fl9 s THR 125 N -1.87 4.53 0.29 5.18 -4.23 -1.18 -4.98 115.64 113.39 3fl9 s THR 125 Ca -0.03 1.83 0.09 0.00 -1.18 0.00 0.00 61.69 62.40 3fl9 s THR 125 Cb 0.00 -4.18 -0.04 0.00 1.34 0.00 0.00 72.50 69.62 3fl9 s THR 125 CO 0.05 -0.04 0.02 -0.36 -0.54 0.00 0.00 174.62 173.76 3fl9 s PHE 126 N 2.38 2.68 -0.13 3.99 0.40 -1.26 -1.41 117.98 124.63 3fl9 s PHE 126 Ca 0.51 -0.27 -0.14 0.00 -0.60 0.00 0.00 56.93 56.43 3fl9 s PHE 126 Cb -0.20 -1.30 -0.05 0.00 0.51 0.00 0.00 43.02 41.98 3fl9 s PHE 126 CO 0.17 0.56 0.32 0.12 0.70 0.00 0.00 175.22 177.10 3fl9 s PHE 127 N -2.36 3.52 0.67 0.36 5.36 0.42 -4.59 117.98 121.36 3fl9 s PHE 127 Ca 0.33 0.69 -0.16 0.00 -0.96 0.00 0.00 56.93 56.83 3fl9 s PHE 127 Cb -0.05 -2.32 0.01 0.00 -0.34 0.00 0.00 43.02 40.31 3fl9 s PHE 127 CO 0.20 0.34 1.17 -2.14 -1.46 0.00 0.00 175.22 173.33 3fl9 s PRO 128 N 0.11 2.58 0.89 10.12 0.02 -1.26 -4.91 135.00 142.55 3fl9 s PRO 128 Ca 0.19 1.65 -0.15 0.00 0.02 0.00 0.00 61.00 62.71 3fl9 s PRO 128 Cb -0.14 -1.90 0.22 0.00 0.02 0.00 0.00 34.50 32.71 3fl9 s PRO 128 CO 0.06 -1.47 0.75 -0.85 -0.33 0.00 0.00 177.00 175.16 3fl9 n GLU 129 N -2.32 -2.71 0.00 5.54 0.00 -1.26 -5.05 120.64 114.84 3fl9 n GLU 129 Ca 0.12 -1.21 0.00 0.00 0.00 0.00 0.00 57.16 56.08 3fl9 n GLU 129 Cb 0.51 -1.18 0.00 0.00 0.00 0.00 0.00 31.44 30.77 3fl9 n GLU 129 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3fl9 n MET 130 N -3.97 0.00 0.00 3.44 2.81 -1.26 -5.17 117.12 112.98 3fl9 n MET 130 Ca 0.11 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 3fl9 n MET 130 Cb 0.42 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.93 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 0.00 0.00 0.00 7.83 5.75 -1.26 -5.10 116.55 123.77 3fl9 n ASP 131 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3fl9 n ASP 131 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3fl9 n ASP 131 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3fl9 n ASN 134 N 0.00 0.00 -1.44 -1.12 4.13 -1.26 -4.98 115.26 110.60 3fl9 n ASN 134 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 3fl9 n ASN 134 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 3fl9 n ASN 134 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 3fl9 n TRP 135 N 0.00 -2.52 -4.63 3.10 7.02 -1.26 -4.98 117.44 114.17 3fl9 n TRP 135 Ca 0.00 1.34 -0.29 0.00 -1.02 0.00 0.00 57.50 57.52 3fl9 n TRP 135 Cb 0.00 -2.20 -0.14 0.00 -2.42 0.00 0.00 31.31 26.55 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 -3.04 1.58 0.17 -0.99 2.20 -1.11 -4.76 119.74 113.78 3fl9 s LYS 136 Ca 0.00 -1.23 -0.16 0.00 -0.36 0.00 0.00 55.97 54.21 3fl9 s LYS 136 Cb 0.00 -1.92 -0.07 0.00 -1.51 0.00 0.00 37.83 34.32 3fl9 s LYS 136 CO 0.00 0.48 0.61 -2.00 -0.36 0.00 0.00 175.35 174.07 3fl9 s GLU 137 N -1.67 4.09 0.00 4.03 2.12 -1.26 0.38 118.70 126.38 3fl9 s GLU 137 Ca 0.13 0.63 0.00 0.00 0.36 0.00 0.00 54.97 56.09 3fl9 s GLU 137 Cb -0.10 -2.94 0.00 0.00 0.26 0.00 0.00 34.13 31.35 3fl9 s GLU 137 CO 0.04 0.46 0.00 1.55 -0.54 0.00 0.00 175.26 176.77 3fl9 n VAL 138 N 0.85 0.00 -3.63 3.70 3.14 0.50 -4.82 118.33 118.07 3fl9 n VAL 138 Ca -0.05 -0.06 -0.11 0.00 -2.96 0.00 0.00 64.34 61.16 3fl9 n VAL 138 Cb 0.51 0.48 -0.07 0.00 -1.06 0.00 0.00 33.84 33.71 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 -1.40 -0.60 0.02 1.45 5.36 -1.18 -4.99 117.98 116.65 3fl9 s PHE 139 Ca 0.00 1.46 0.01 0.00 -0.96 0.00 0.00 56.93 57.43 3fl9 s PHE 139 Cb 0.00 0.33 -0.01 0.00 -0.34 0.00 0.00 43.02 42.99 3fl9 s PHE 139 CO 0.00 -0.29 -0.04 0.54 -1.46 0.00 0.00 175.22 173.98 3fl9 s VAL 140 N 0.29 0.22 -0.25 3.12 0.11 -1.26 -0.59 120.40 122.04 3fl9 s VAL 140 Ca 0.02 -0.61 -0.18 0.00 -2.93 0.00 0.00 61.98 58.28 3fl9 s VAL 140 Cb -0.05 -0.29 0.07 0.00 -1.53 0.00 0.00 36.38 34.59 3fl9 s VAL 140 CO -0.03 -0.25 0.64 -0.70 -3.33 0.00 0.00 175.10 171.42 3fl9 s GLU 141 N -0.91 0.69 0.41 1.54 2.12 -0.54 -4.98 118.70 117.03 3fl9 s GLU 141 Ca -0.08 1.04 -0.26 0.00 0.36 0.00 0.00 54.97 56.04 3fl9 s GLU 141 Cb -0.06 0.22 -0.08 0.00 0.26 0.00 0.00 34.13 34.46 3fl9 s GLU 141 CO -0.00 -0.13 1.28 0.21 -0.54 0.00 0.00 175.26 176.08 3fl9 s LYS 142 N 1.07 3.95 0.36 4.30 2.20 -1.26 0.62 119.74 130.97 3fl9 s LYS 142 Ca -0.06 2.10 -0.06 0.00 -0.36 0.00 0.00 55.97 57.60 3fl9 s LYS 142 Cb -0.05 -2.72 -0.05 0.00 -1.51 0.00 0.00 37.83 33.50 3fl9 s LYS 142 CO -0.10 -0.49 0.65 0.20 -0.36 0.00 0.00 175.35 175.24 3fl9 s GLY 143 N -0.82 1.76 -0.74 5.54 0.00 0.11 -4.81 107.32 108.36 3fl9 s GLY 143 Ca 0.58 -0.49 -0.26 0.00 0.00 0.00 0.00 44.72 44.55 3fl9 s GLY 143 CO 0.47 -0.36 1.97 -2.27 0.00 0.00 0.00 173.10 172.91 3fl9 s LEU 144 N -3.91 3.22 -0.03 0.66 2.96 -1.26 -4.59 118.68 115.73 3fl9 s LEU 144 Ca 0.46 -0.08 -0.30 0.00 -0.22 0.00 0.00 54.13 53.99 3fl9 s LEU 144 Cb -0.10 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.00 3fl9 s LEU 144 CO 0.33 -2.67 1.25 -0.89 -1.32 0.00 0.00 176.35 173.06 3fl9 s THR 145 N 10.09 4.09 0.00 3.68 2.01 -1.26 -4.69 115.64 129.56 3fl9 s THR 145 Ca 0.72 1.44 0.00 0.00 0.31 0.00 0.00 61.69 64.16 3fl9 s THR 145 Cb -0.10 -3.93 0.00 0.00 0.01 0.00 0.00 72.50 68.48 3fl9 s THR 145 CO 0.11 0.01 0.00 0.47 -0.69 0.00 0.00 174.62 174.52 3fl9 n ASP 146 N 5.10 0.36 0.06 3.53 9.92 0.28 -4.90 116.55 130.90 3fl9 n ASP 146 Ca 0.11 -0.70 -0.11 0.00 -0.53 0.00 0.00 54.79 53.56 3fl9 n ASP 146 Cb 0.46 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.93 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 0.40 -0.63 -1.24 3.07 -1.99 -3.12 114.58 111.06 3fl9 h GLU 147 Ca 0.00 -0.37 0.00 0.00 -0.50 0.00 0.00 59.36 58.49 3fl9 h GLU 147 Cb 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 3fl9 h GLU 147 CO 0.00 1.02 0.00 1.17 -1.40 0.00 0.00 179.01 179.80 3fl9 n LYS 148 N -3.79 4.26 -3.00 2.33 3.00 -1.26 -4.24 118.16 115.46 3fl9 n LYS 148 Ca -0.05 -2.74 -0.16 0.00 -0.00 0.00 0.00 58.31 55.36 3fl9 n LYS 148 Cb 0.76 -2.12 -0.01 0.00 0.00 0.00 0.00 35.03 33.67 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 0.64 -0.94 -0.35 3.14 3.02 -1.18 -4.06 115.26 115.54 3fl9 n ASN 149 Ca 0.24 -3.07 0.00 0.00 -0.03 0.00 0.00 54.58 51.72 3fl9 n ASN 149 Cb 1.04 0.43 0.00 0.00 -0.61 0.00 0.00 39.78 40.64 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 1.12 0.36 -3.87 3.52 -0.02 -1.22 -0.56 135.00 134.33 3fl9 n PRO 150 Ca 0.16 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.54 3fl9 n PRO 150 Cb 0.61 -1.12 -0.09 0.00 -0.02 0.00 0.00 33.50 32.88 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 -1.31 0.10 -0.03 6.00 2.02 -1.26 -5.01 117.35 117.86 3fl9 s TYR 151 Ca 0.00 -0.35 -0.24 0.00 -0.37 0.00 0.00 57.07 56.11 3fl9 s TYR 151 Cb 0.00 -0.07 -0.04 0.00 -0.40 0.00 0.00 41.96 41.45 3fl9 s TYR 151 CO 0.00 -0.41 0.73 -0.08 -1.57 0.00 0.00 175.55 174.22 3fl9 s THR 152 N -2.56 4.96 0.19 -0.71 -1.32 -1.26 -4.52 115.64 110.41 3fl9 s THR 152 Ca -0.05 1.52 -0.06 0.00 -1.21 0.00 0.00 61.69 61.88 3fl9 s THR 152 Cb -0.01 -4.07 -0.02 0.00 -1.51 0.00 0.00 72.50 66.89 3fl9 s THR 152 CO -0.04 0.28 0.25 -0.72 -2.21 0.00 0.00 174.62 172.18 3fl9 s TYR 153 N 0.55 0.67 -0.02 9.09 -0.85 -1.26 -1.05 117.35 124.48 3fl9 s TYR 153 Ca 0.38 -1.00 0.01 0.00 -0.52 0.00 0.00 57.07 55.94 3fl9 s TYR 153 Cb -0.19 -0.21 0.01 0.00 0.38 0.00 0.00 41.96 41.96 3fl9 s TYR 153 CO 0.20 -0.73 -0.02 0.71 -1.52 0.00 0.00 175.55 174.19 3fl9 s TYR 154 N -4.04 0.37 0.20 -3.49 1.51 -1.09 0.09 117.35 110.90 3fl9 s TYR 154 Ca 0.25 -0.05 -0.25 0.00 -1.01 0.00 0.00 57.07 56.02 3fl9 s TYR 154 Cb 0.04 -0.36 -0.08 0.00 -0.11 0.00 0.00 41.96 41.45 3fl9 s TYR 154 CO 0.06 -0.09 0.80 0.71 -1.11 0.00 0.00 175.55 175.92 3fl9 s TYR 155 N 0.56 3.85 0.02 2.71 1.51 0.20 -2.10 117.35 124.11 3fl9 s TYR 155 Ca -0.06 1.64 0.02 0.00 -1.01 0.00 0.00 57.07 57.66 3fl9 s TYR 155 Cb -0.09 -2.78 -0.01 0.00 -0.11 0.00 0.00 41.96 38.96 3fl9 s TYR 155 CO -0.01 0.45 -0.07 -1.01 -1.11 0.00 0.00 175.55 173.80 3fl9 s HIS 156 N -1.26 0.60 -0.04 2.71 3.76 -0.72 -1.46 115.29 118.87 3fl9 s HIS 156 Ca 0.39 -0.29 0.03 0.00 -0.15 0.00 0.00 55.06 55.04 3fl9 s HIS 156 Cb -0.22 -0.37 0.01 0.00 1.11 0.00 0.00 32.58 33.11 3fl9 s HIS 156 CO 0.26 -0.04 -0.12 0.08 -0.85 0.00 0.00 174.74 174.07 3fl9 s VAL 157 N -0.74 1.04 0.01 -0.90 1.01 0.25 0.11 120.40 121.19 3fl9 s VAL 157 Ca -0.04 -0.47 0.08 0.00 0.00 0.00 0.00 61.98 61.55 3fl9 s VAL 157 Cb -0.06 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 3fl9 s VAL 157 CO 0.00 0.32 -0.24 -0.31 0.00 0.00 0.00 175.10 174.88 3fl9 s TYR 158 N 0.37 2.10 -0.12 5.22 2.02 0.15 -0.37 117.35 126.72 3fl9 s TYR 158 Ca -0.08 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.23 3fl9 s TYR 158 Cb -0.12 -1.30 0.02 0.00 -0.40 0.00 0.00 41.96 40.16 3fl9 s TYR 158 CO 0.02 0.04 -0.11 -1.21 -1.57 0.00 0.00 175.55 172.72 3fl9 s GLU 159 N -0.88 1.84 -0.09 -0.62 2.02 0.16 -1.31 118.70 119.83 3fl9 s GLU 159 Ca 0.09 -0.39 -0.31 0.00 0.02 0.00 0.00 54.97 54.39 3fl9 s GLU 159 Cb -0.09 -1.75 -0.15 0.00 0.10 0.00 0.00 34.13 32.24 3fl9 s GLU 159 CO 0.01 -0.20 0.88 1.17 0.02 0.00 0.00 175.26 177.13 3fl9 n LYS 160 N 4.69 0.00 -2.25 1.61 4.81 -1.17 -2.74 118.16 123.10 3fl9 n LYS 160 Ca -0.16 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 56.88 3fl9 n LYS 160 Cb 0.50 -1.10 -0.03 0.00 0.02 0.00 0.00 35.03 34.42 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 0.53 4.35 -0.30 1.64 0.74 -1.26 -4.76 119.66 120.60 3fl9 s GLN 161 Ca 0.69 2.02 -0.42 0.00 0.05 0.00 0.00 55.36 57.70 3fl9 s GLN 161 Cb -0.97 -3.01 -0.18 0.00 1.10 0.00 0.00 33.01 29.95 3fl9 s GLN 161 CO 0.46 -0.12 1.58 1.04 -0.55 0.00 0.00 175.29 177.71 3fl9 n GLN 162 N 0.72 0.60 -2.54 1.67 6.02 -1.26 -4.83 117.38 117.77 3fl9 n GLN 162 Ca 0.01 0.22 -0.41 0.00 -0.01 0.00 0.00 57.00 56.81 3fl9 n GLN 162 Cb 0.44 -1.81 -0.02 0.00 1.02 0.00 0.00 30.24 29.87 3fl9 n GLN 162 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 3fl9 s LEU 163 N 2.69 3.65 -0.12 1.08 0.05 -1.26 -4.96 118.68 119.81 3fl9 s LEU 163 Ca 0.99 -1.94 -0.25 0.00 0.05 0.00 0.00 54.13 52.98 3fl9 s LEU 163 Cb -1.24 -2.58 -0.02 0.00 -2.05 0.00 0.00 46.19 40.30 3fl9 s LEU 163 CO 0.69 -1.43 0.82 -0.69 -0.55 0.00 0.00 176.35 175.19 3fl9 s VAL 164 N 4.95 4.92 0.92 1.48 1.01 -1.26 -5.04 120.40 127.38 3fl9 s VAL 164 Ca 0.51 1.64 -0.10 0.00 0.00 0.00 0.00 61.98 64.03 3fl9 s VAL 164 Cb 0.02 -4.13 0.15 0.00 0.00 0.00 0.00 36.38 32.41 3fl9 s VAL 164 CO 0.00 0.10 1.13 -2.84 0.00 0.00 0.00 175.10 173.49 3fl9 s PRO 165 N 1.65 0.98 0.00 2.72 0.02 -1.26 -5.30 135.00 133.81 3fl9 s PRO 165 Ca 0.40 1.42 0.04 0.00 0.02 0.00 0.00 61.00 62.88 3fl9 s PRO 165 Cb -0.17 -1.73 0.03 0.00 0.02 0.00 0.00 34.50 32.65 3fl9 s PRO 165 CO 0.16 -2.62 0.63 0.54 -0.33 0.00 0.00 177.00 175.39