#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 5.02 -0.36 1.12 1.01 -0.20 -4.93 121.20 122.86 3fl9 s ILE 2 Ca 0.00 1.49 -0.12 0.00 0.00 0.00 0.00 60.65 62.02 3fl9 s ILE 2 Cb 0.00 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.41 3fl9 s ILE 2 CO 0.00 0.22 0.22 -0.69 0.00 0.00 0.00 174.94 174.69 3fl9 s VAL 3 N 1.00 4.94 -0.10 2.92 1.01 -1.26 -0.91 120.40 128.00 3fl9 s VAL 3 Ca 0.38 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.86 3fl9 s VAL 3 Cb -0.18 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 3fl9 s VAL 3 CO 0.18 -0.12 -0.17 -0.44 0.00 0.00 0.00 175.10 174.55 3fl9 s SER 4 N 1.64 3.72 -0.31 3.32 0.01 -0.12 -0.37 113.70 121.60 3fl9 s SER 4 Ca 0.04 -0.37 -0.19 0.00 1.31 0.00 0.00 55.95 56.75 3fl9 s SER 4 Cb -0.18 -1.32 -0.01 0.00 0.21 0.00 0.00 66.02 64.71 3fl9 s SER 4 CO 0.08 0.21 0.56 -0.36 0.41 0.00 0.00 173.24 174.14 3fl9 s PHE 5 N 0.07 3.21 -0.32 2.43 0.40 -0.75 -0.06 117.98 122.97 3fl9 s PHE 5 Ca -0.07 0.46 -0.03 0.00 -0.60 0.00 0.00 56.93 56.68 3fl9 s PHE 5 Cb -0.15 -2.89 0.05 0.00 0.51 0.00 0.00 43.02 40.54 3fl9 s PHE 5 CO 0.05 -0.44 0.05 1.41 0.70 0.00 0.00 175.22 176.99 3fl9 s MET 6 N 2.45 2.45 -0.04 0.44 -2.45 -0.96 0.12 119.30 121.32 3fl9 s MET 6 Ca 0.22 -1.29 -0.02 0.00 -1.25 0.00 0.00 55.69 53.35 3fl9 s MET 6 Cb -0.15 -3.31 0.03 0.00 1.25 0.00 0.00 34.83 32.65 3fl9 s MET 6 CO 0.12 -0.68 0.09 0.54 1.05 0.00 0.00 175.02 176.14 3fl9 s VAL 7 N 1.29 -0.04 -0.34 10.11 0.11 -0.09 -4.52 120.40 126.92 3fl9 s VAL 7 Ca -0.03 0.15 -0.16 0.00 -2.93 0.00 0.00 61.98 59.01 3fl9 s VAL 7 Cb -0.20 -0.16 -0.01 0.00 -1.53 0.00 0.00 36.38 34.48 3fl9 s VAL 7 CO -0.00 0.06 0.40 0.00 -3.33 0.00 0.00 175.10 172.23 3fl9 s ALA 8 N 0.86 3.49 0.00 1.54 0.00 -1.26 0.10 121.76 126.49 3fl9 s ALA 8 Ca -0.07 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.75 3fl9 s ALA 8 Cb -0.09 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.16 3fl9 s ALA 8 CO -0.03 -1.10 0.00 -0.12 0.00 0.00 0.00 175.76 174.50 3fl9 n MET 9 N 5.48 3.96 -4.03 0.00 1.56 0.13 -4.54 117.12 119.67 3fl9 n MET 9 Ca -0.08 0.00 -0.14 0.00 -0.27 0.00 0.00 57.70 57.21 3fl9 n MET 9 Cb 0.49 0.00 -0.03 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 -0.93 0.78 0.42 6.12 2.15 -1.23 -3.92 116.67 120.05 3fl9 s ASP 10 Ca 0.00 -1.44 0.29 0.00 0.43 0.00 0.00 52.55 51.83 3fl9 s ASP 10 Cb 0.00 0.71 1.13 0.00 -0.30 0.00 0.00 42.92 44.46 3fl9 s ASP 10 CO 0.00 -1.39 1.85 -0.08 -0.17 0.00 0.00 175.17 175.38 3fl9 h GLU 11 N 2.08 0.00 0.00 4.34 4.81 -1.18 -3.09 114.58 121.54 3fl9 h GLU 11 Ca -0.29 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.91 3fl9 h GLU 11 Cb 1.24 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.55 3fl9 h GLU 11 CO 0.39 0.00 -0.51 0.09 -0.73 0.00 0.00 179.01 178.25 3fl9 n ASN 12 N -2.73 1.60 -0.77 1.04 3.02 -1.26 -4.96 115.26 111.19 3fl9 n ASN 12 Ca 0.02 -3.30 -0.10 0.00 -0.03 0.00 0.00 54.58 51.17 3fl9 n ASN 12 Cb 0.30 -0.45 -0.04 0.00 -0.61 0.00 0.00 39.78 38.98 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 -0.82 -1.73 -1.97 3.52 1.74 -1.17 -4.85 116.66 111.38 3fl9 n ARG 13 Ca 0.15 0.85 -0.42 0.00 -0.77 0.00 0.00 57.85 57.66 3fl9 n ARG 13 Cb 0.77 -5.30 -0.03 0.00 -1.02 0.00 0.00 32.46 26.88 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 -1.86 3.43 -0.24 1.55 1.01 -1.26 -0.43 120.40 122.61 3fl9 s VAL 14 Ca 0.00 0.43 0.13 0.00 0.00 0.00 0.00 61.98 62.54 3fl9 s VAL 14 Cb 0.00 -3.62 0.53 0.00 0.00 0.00 0.00 36.38 33.29 3fl9 s VAL 14 CO 0.00 -0.42 1.47 2.30 0.00 0.00 0.00 175.10 178.45 3fl9 n ILE 15 N 7.43 2.46 0.00 2.22 -5.35 -0.04 -3.58 119.36 122.50 3fl9 n ILE 15 Ca 0.23 -2.23 0.00 0.00 -0.27 0.00 0.00 62.75 60.48 3fl9 n ILE 15 Cb 0.47 -0.30 0.00 0.00 -1.74 0.00 0.00 39.64 38.08 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 -0.79 3.14 0.00 3.28 0.00 -1.20 -4.85 105.19 104.77 3fl9 n GLY 16 Ca 0.29 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.06 0.50 0.32 1.61 3.00 0.11 -2.49 118.16 120.15 3fl9 n LYS 17 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.13 3fl9 n LYS 17 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.94 3fl9 n LYS 17 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 3fl9 h ASP 18 N 0.00 -1.18 -0.23 3.14 2.03 -1.97 -3.37 116.42 114.85 3fl9 h ASP 18 Ca 0.00 0.09 -0.26 0.00 -0.73 0.00 0.00 57.03 56.13 3fl9 h ASP 18 Cb 0.00 0.37 -0.19 0.00 -0.83 0.00 0.00 39.33 38.68 3fl9 h ASP 18 CO 0.00 -0.63 -0.52 -0.46 -1.03 0.00 0.00 179.24 176.60 3fl9 n ASN 19 N -5.55 -1.52 -3.59 4.15 6.94 -1.26 -4.98 115.26 109.45 3fl9 n ASN 19 Ca -0.12 -2.91 0.02 0.00 -0.02 0.00 0.00 54.58 51.54 3fl9 n ASN 19 Cb 0.44 1.04 -0.01 0.00 -2.36 0.00 0.00 39.78 38.89 3fl9 n ASN 19 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 3fl9 s ASN 20 N -1.50 -0.01 -0.02 0.53 0.02 -1.26 -4.48 114.94 108.21 3fl9 s ASN 20 Ca 0.24 -0.01 -0.30 0.00 -1.02 0.00 0.00 52.86 51.77 3fl9 s ASN 20 Cb 0.37 0.02 -0.05 0.00 0.02 0.00 0.00 41.25 41.61 3fl9 s ASN 20 CO -0.06 -0.03 1.32 -1.48 0.02 0.00 0.00 177.10 176.87 3fl9 s LEU 21 N -2.68 4.30 0.58 0.60 2.34 -1.26 0.10 118.68 122.66 3fl9 s LEU 21 Ca 0.14 1.99 0.33 0.00 0.06 0.00 0.00 54.13 56.65 3fl9 s LEU 21 Cb 0.05 -3.56 1.80 0.00 -0.56 0.00 0.00 46.19 43.92 3fl9 s LEU 21 CO -0.05 -0.67 2.20 -0.65 -1.06 0.00 0.00 176.35 176.12 3fl9 h PRO 22 N 7.69 0.00 0.00 1.48 0.11 -1.90 -3.43 132.00 135.95 3fl9 h PRO 22 Ca -0.36 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.36 3fl9 h PRO 22 Cb 1.17 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 3fl9 h PRO 22 CO 0.89 0.04 -0.17 -2.67 -0.21 0.00 0.00 178.00 175.89 3fl9 n TRP 23 N -3.54 -1.06 -3.36 0.65 2.14 -1.26 -5.02 117.44 105.99 3fl9 n TRP 23 Ca -0.02 -1.58 -0.25 0.00 2.07 0.00 0.00 57.50 57.72 3fl9 n TRP 23 Cb 0.15 -0.32 -0.09 0.00 -0.81 0.00 0.00 31.31 30.24 3fl9 n TRP 23 CO 0.00 0.00 0.00 0.50 2.07 0.00 0.00 177.69 180.26 3fl9 s ARG 24 N -3.58 0.78 -0.32 -2.67 3.52 -1.26 -5.09 118.95 110.33 3fl9 s ARG 24 Ca 0.24 -1.66 0.04 0.00 -0.13 0.00 0.00 55.73 54.21 3fl9 s ARG 24 Cb -0.02 -1.19 0.09 0.00 -1.56 0.00 0.00 34.95 32.27 3fl9 s ARG 24 CO 0.15 -1.31 0.02 -0.51 -0.81 0.00 0.00 175.30 172.84 3fl9 s LEU 25 N 0.58 4.42 0.37 -0.88 1.43 -1.26 -4.57 118.68 118.76 3fl9 s LEU 25 Ca 0.27 -1.99 0.19 0.00 -1.03 0.00 0.00 54.13 51.57 3fl9 s LEU 25 Cb -0.06 -1.59 0.23 0.00 0.03 0.00 0.00 46.19 44.80 3fl9 s LEU 25 CO -0.11 -0.34 1.54 -0.65 0.23 0.00 0.00 176.35 177.02 3fl9 h PRO 26 N 7.66 0.00 0.05 1.29 0.11 -1.98 -1.71 132.00 137.41 3fl9 h PRO 26 Ca -0.07 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.79 3fl9 h PRO 26 Cb 1.02 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.14 3fl9 h PRO 26 CO 0.51 0.24 -1.06 1.03 -0.21 0.00 0.00 178.00 178.50 3fl9 h SER 27 N 0.00 0.60 -0.28 -2.05 0.87 -1.93 0.23 113.55 110.99 3fl9 h SER 27 Ca -0.00 -0.52 -0.10 0.00 -1.23 0.00 0.00 61.79 59.94 3fl9 h SER 27 Cb 1.17 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 3fl9 h SER 27 CO 0.03 1.34 -0.22 -0.08 -0.53 0.00 0.00 176.83 177.37 3fl9 h GLU 28 N 0.22 0.63 -0.63 2.24 4.22 -1.93 -1.04 114.58 118.29 3fl9 h GLU 28 Ca -0.11 -0.31 0.02 0.00 0.08 0.00 0.00 59.36 59.03 3fl9 h GLU 28 Cb 1.72 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.94 3fl9 h GLU 28 CO 0.19 0.91 0.41 -0.07 -2.18 0.00 0.00 179.01 178.27 3fl9 h LEU 29 N 0.37 0.68 0.41 1.64 3.38 -1.32 -0.15 115.31 120.31 3fl9 h LEU 29 Ca 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3fl9 h LEU 29 Cb 0.77 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3fl9 h LEU 29 CO 0.06 0.48 -0.27 -0.61 0.09 0.00 0.00 178.44 178.19 3fl9 h GLN 30 N 0.79 -0.64 -0.93 1.13 5.75 -0.65 -0.59 115.11 119.98 3fl9 h GLN 30 Ca 0.24 0.04 0.09 0.00 -0.15 0.00 0.00 58.65 58.88 3fl9 h GLN 30 Cb -0.01 0.14 -0.07 0.00 1.07 0.00 0.00 27.48 28.61 3fl9 h GLN 30 CO -0.06 -0.42 0.58 -0.92 -2.65 0.00 0.00 178.83 175.35 3fl9 h TYR 31 N -0.66 1.06 0.32 3.99 3.20 -0.52 -0.27 116.97 124.08 3fl9 h TYR 31 Ca -0.04 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 3fl9 h TYR 31 Cb 0.55 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.49 3fl9 h TYR 31 CO -0.11 0.47 -0.15 0.28 -1.64 0.00 0.00 178.16 177.01 3fl9 h VAL 32 N 0.98 0.70 0.00 1.81 2.07 -0.89 -2.00 116.25 118.92 3fl9 h VAL 32 Ca 0.44 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.83 3fl9 h VAL 32 Cb 0.34 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 3fl9 h VAL 32 CO -0.23 0.03 -0.20 0.50 0.02 0.00 0.00 177.57 177.70 3fl9 h LYS 33 N -0.51 -0.30 -0.24 1.57 3.64 -0.32 -0.59 116.57 119.81 3fl9 h LYS 33 Ca -0.04 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3fl9 h LYS 33 Cb 0.38 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3fl9 h LYS 33 CO 0.07 -0.20 0.16 0.87 -2.27 0.00 0.00 179.45 178.08 3fl9 h LYS 34 N -0.32 0.13 0.04 1.90 1.57 -1.11 -1.27 116.57 117.51 3fl9 h LYS 34 Ca 0.06 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3fl9 h LYS 34 Cb 0.39 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3fl9 h LYS 34 CO -0.18 0.09 -0.02 1.15 -0.57 0.00 0.00 179.45 179.92 3fl9 h THR 35 N 0.14 1.33 -0.01 -0.16 2.02 -0.53 -3.34 112.91 112.36 3fl9 h THR 35 Ca 0.11 -1.70 0.00 0.00 0.77 0.00 0.00 66.41 65.58 3fl9 h THR 35 Cb 0.25 2.38 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 3fl9 h THR 35 CO -0.01 0.40 -0.01 1.07 0.37 0.00 0.00 175.52 177.34 3fl9 n THR 36 N -4.75 0.00 -1.90 3.16 5.66 -0.32 -4.90 114.28 111.24 3fl9 n THR 36 Ca -0.08 -0.20 -0.42 0.00 -3.05 0.00 0.00 64.05 60.29 3fl9 n THR 36 Cb 0.34 0.32 -0.03 0.00 -1.55 0.00 0.00 70.33 69.41 3fl9 n THR 36 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 3fl9 s MET 37 N -2.02 4.18 0.00 1.09 1.75 -0.49 -1.72 119.30 122.10 3fl9 s MET 37 Ca 0.39 2.36 0.00 0.00 -1.25 0.00 0.00 55.69 57.19 3fl9 s MET 37 Cb 0.21 -3.74 0.00 0.00 2.84 0.00 0.00 34.83 34.14 3fl9 s MET 37 CO 0.35 -0.79 0.00 0.41 -0.65 0.00 0.00 175.02 174.34 3fl9 n GLY 38 N 4.10 0.99 3.22 2.11 0.00 -0.98 -5.05 105.19 109.58 3fl9 n GLY 38 Ca 0.17 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 -0.39 0.24 1.61 3.76 -0.70 -4.98 115.29 112.83 3fl9 s HIS 39 Ca 0.00 0.93 -0.31 0.00 -0.15 0.00 0.00 55.06 55.53 3fl9 s HIS 39 Cb 0.00 0.13 -0.11 0.00 1.11 0.00 0.00 32.58 33.71 3fl9 s HIS 39 CO 0.00 -0.19 1.64 -2.14 -0.85 0.00 0.00 174.74 173.20 3fl9 s PRO 40 N 0.32 4.14 -0.27 8.40 0.02 -1.26 -4.00 135.00 142.34 3fl9 s PRO 40 Ca -0.01 2.56 -0.12 0.00 0.02 0.00 0.00 61.00 63.45 3fl9 s PRO 40 Cb -0.03 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.38 3fl9 s PRO 40 CO -0.01 -0.67 0.22 -0.51 -0.33 0.00 0.00 177.00 175.70 3fl9 s LEU 41 N 0.41 4.03 -0.29 -5.54 1.02 0.53 -1.36 118.68 117.48 3fl9 s LEU 41 Ca 0.69 0.06 -0.07 0.00 0.02 0.00 0.00 54.13 54.83 3fl9 s LEU 41 Cb -0.48 -2.18 0.00 0.00 0.02 0.00 0.00 46.19 43.55 3fl9 s LEU 41 CO 0.39 -0.06 0.09 -0.63 0.02 0.00 0.00 176.35 176.16 3fl9 s ILE 42 N 1.75 4.12 0.31 -0.59 -1.09 0.18 -1.63 121.20 124.25 3fl9 s ILE 42 Ca 0.09 -0.59 -0.15 0.00 -2.23 0.00 0.00 60.65 57.76 3fl9 s ILE 42 Cb -0.16 -3.10 0.02 0.00 -1.58 0.00 0.00 42.46 37.65 3fl9 s ILE 42 CO 0.10 0.10 0.66 0.00 -1.23 0.00 0.00 174.94 174.58 3fl9 s MET 43 N 1.53 1.90 0.00 2.79 0.23 -1.12 0.11 119.30 124.75 3fl9 s MET 43 Ca 0.03 -1.28 0.00 0.00 -1.03 0.00 0.00 55.69 53.41 3fl9 s MET 43 Cb -0.17 0.57 0.00 0.00 -1.53 0.00 0.00 34.83 33.70 3fl9 s MET 43 CO 0.03 -0.85 0.00 0.41 -2.03 0.00 0.00 175.02 172.58 3fl9 n GLY 44 N -0.48 -0.40 0.12 3.16 0.00 -1.25 0.40 105.19 106.74 3fl9 n GLY 44 Ca -0.04 -1.74 0.11 0.00 0.00 0.00 0.00 46.02 44.34 3fl9 n GLY 44 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3fl9 n ARG 45 N -0.59 0.31 0.02 1.61 1.85 -1.26 -2.56 116.66 116.04 3fl9 n ARG 45 Ca 0.00 -0.24 -0.09 0.00 -1.00 0.00 0.00 57.85 56.52 3fl9 n ARG 45 Cb 0.00 -1.49 -0.13 0.00 -1.05 0.00 0.00 32.46 29.78 3fl9 n ARG 45 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 3fl9 h LYS 46 N 0.59 0.03 0.00 2.89 1.79 -1.94 1.14 116.57 121.08 3fl9 h LYS 46 Ca 0.00 -0.05 -0.10 0.00 -2.18 0.00 0.00 60.65 58.32 3fl9 h LYS 46 Cb 0.55 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 3fl9 h LYS 46 CO 0.00 0.76 -0.48 -0.97 -1.08 0.00 0.00 179.45 177.67 3fl9 h ASN 47 N 0.01 0.00 0.03 0.86 -1.24 -1.88 -2.93 115.58 110.42 3fl9 h ASN 47 Ca -0.18 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 56.77 3fl9 h ASN 47 Cb 1.92 0.00 0.01 0.00 0.73 0.00 0.00 38.32 40.98 3fl9 h ASN 47 CO 0.11 0.48 -0.23 0.22 -1.29 0.00 0.00 177.43 176.71 3fl9 h TYR 48 N 0.00 0.18 -0.01 0.67 3.20 -1.38 -2.51 116.97 117.11 3fl9 h TYR 48 Ca -0.00 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.75 3fl9 h TYR 48 Cb 1.17 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.43 3fl9 h TYR 48 CO 0.00 1.04 0.20 0.93 -1.64 0.00 0.00 178.16 178.69 3fl9 h GLU 49 N -0.74 0.00 0.00 1.82 4.39 0.12 0.28 114.58 120.46 3fl9 h GLU 49 Ca -0.04 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3fl9 h GLU 49 Cb 1.13 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3fl9 h GLU 49 CO 0.04 0.00 -0.08 0.00 -1.16 0.00 0.00 179.01 177.81 3fl9 h ALA 50 N 1.62 0.01 0.32 3.43 0.00 -1.47 -3.36 119.26 119.81 3fl9 h ALA 50 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3fl9 h ALA 50 Cb 0.40 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3fl9 h ALA 50 CO -0.00 0.06 -0.42 0.82 0.00 0.00 0.00 179.25 179.71 3fl9 h ILE 51 N -1.00 0.17 0.00 0.00 5.03 -0.97 -3.43 117.51 117.30 3fl9 h ILE 51 Ca -0.02 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.72 3fl9 h ILE 51 Cb 0.49 0.17 0.00 0.00 -3.03 0.00 0.00 36.82 34.45 3fl9 h ILE 51 CO -0.01 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.07 3fl9 n GLY 52 N -1.49 2.57 3.72 5.37 0.00 0.96 -5.08 105.19 111.25 3fl9 n GLY 52 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.28 1.62 -0.45 1.61 1.04 -1.26 -4.98 118.95 116.25 3fl9 s ARG 53 Ca 0.00 -0.82 -0.28 0.00 -1.04 0.00 0.00 55.73 53.59 3fl9 s ARG 53 Cb 0.00 0.60 -0.01 0.00 -2.04 0.00 0.00 34.95 33.50 3fl9 s ARG 53 CO 0.00 -0.73 1.69 -2.14 -0.04 0.00 0.00 175.30 174.07 3fl9 s PRO 54 N -3.85 3.19 -0.27 3.89 0.02 -1.26 -4.95 135.00 131.77 3fl9 s PRO 54 Ca 0.08 0.98 -0.28 0.00 0.02 0.00 0.00 61.00 61.80 3fl9 s PRO 54 Cb -0.04 -4.20 -0.04 0.00 0.02 0.00 0.00 34.50 30.24 3fl9 s PRO 54 CO 0.01 -2.04 2.05 -0.51 -0.33 0.00 0.00 177.00 176.18 3fl9 s LEU 55 N 7.07 3.46 0.50 -5.54 1.43 -1.26 -4.92 118.68 119.42 3fl9 s LEU 55 Ca 0.69 1.63 -0.23 0.00 -1.03 0.00 0.00 54.13 55.19 3fl9 s LEU 55 Cb -0.16 -3.49 -0.06 0.00 0.03 0.00 0.00 46.19 42.50 3fl9 s LEU 55 CO 0.29 -1.88 1.33 -2.84 0.23 0.00 0.00 176.35 173.48 3fl9 s PRO 56 N 6.11 3.44 0.00 1.29 0.02 -1.26 -3.87 135.00 140.73 3fl9 s PRO 56 Ca 0.92 2.18 0.00 0.00 0.02 0.00 0.00 61.00 64.12 3fl9 s PRO 56 Cb -0.28 -2.41 0.00 0.00 0.02 0.00 0.00 34.50 31.83 3fl9 s PRO 56 CO 0.34 -0.93 0.00 0.41 -0.33 0.00 0.00 177.00 176.49 3fl9 n GLY 57 N 0.64 0.72 3.22 0.52 0.00 -1.26 -4.99 105.19 104.04 3fl9 n GLY 57 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.93 0.50 -0.23 1.61 0.52 -1.25 -2.33 118.95 116.84 3fl9 s ARG 58 Ca 0.00 0.15 -0.28 0.00 -0.52 0.00 0.00 55.73 55.07 3fl9 s ARG 58 Cb 0.00 0.23 -0.04 0.00 0.52 0.00 0.00 34.95 35.66 3fl9 s ARG 58 CO 0.00 -0.11 2.10 1.03 0.02 0.00 0.00 175.30 178.34 3fl9 s ARG 59 N -0.52 3.23 -0.68 3.54 0.52 -1.26 -4.83 118.95 118.95 3fl9 s ARG 59 Ca -0.06 1.91 -0.23 0.00 -0.52 0.00 0.00 55.73 56.82 3fl9 s ARG 59 Cb -0.04 -4.32 0.06 0.00 0.52 0.00 0.00 34.95 31.18 3fl9 s ARG 59 CO 0.02 -1.98 1.04 -0.80 0.02 0.00 0.00 175.30 173.59 3fl9 s ASN 60 N 7.54 6.18 -0.13 0.23 0.01 -1.26 -0.35 114.94 127.16 3fl9 s ASN 60 Ca 0.95 -0.91 -0.07 0.00 -0.71 0.00 0.00 52.86 52.12 3fl9 s ASN 60 Cb -0.31 -2.45 -0.04 0.00 0.41 0.00 0.00 41.25 38.86 3fl9 s ASN 60 CO 0.35 -1.52 0.13 -0.63 -1.51 0.00 0.00 177.10 173.92 3fl9 s ILE 61 N 4.38 5.44 -0.04 0.60 1.01 -0.64 0.27 121.20 132.21 3fl9 s ILE 61 Ca 0.25 0.18 0.04 0.00 0.00 0.00 0.00 60.65 61.12 3fl9 s ILE 61 Cb -0.15 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 38.94 3fl9 s ILE 61 CO 0.11 0.60 -0.15 -0.63 0.00 0.00 0.00 174.94 174.86 3fl9 s ILE 62 N -0.84 1.26 -0.30 2.92 1.01 0.39 -2.79 121.20 122.84 3fl9 s ILE 62 Ca 0.14 -0.61 -0.07 0.00 0.00 0.00 0.00 60.65 60.11 3fl9 s ILE 62 Cb -0.12 -1.10 0.01 0.00 0.01 0.00 0.00 42.46 41.27 3fl9 s ILE 62 CO 0.03 0.37 0.08 -0.69 0.00 0.00 0.00 174.94 174.74 3fl9 s VAL 63 N 0.16 3.93 -0.04 2.92 1.01 0.16 -0.64 120.40 127.90 3fl9 s VAL 63 Ca -0.05 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.10 3fl9 s VAL 63 Cb -0.11 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.21 3fl9 s VAL 63 CO 0.02 0.03 0.14 0.28 0.00 0.00 0.00 175.10 175.57 3fl9 s THR 64 N 1.48 0.02 -2.00 3.92 -1.32 -0.91 -4.36 115.64 112.47 3fl9 s THR 64 Ca 0.02 -0.18 0.17 0.00 -1.21 0.00 0.00 61.69 60.49 3fl9 s THR 64 Cb -0.18 -0.26 0.48 0.00 -1.51 0.00 0.00 72.50 71.03 3fl9 s THR 64 CO 0.02 -0.10 1.64 -2.11 -2.21 0.00 0.00 174.62 171.86 3fl9 n ARG 65 N 2.62 0.99 -2.63 7.08 0.00 -1.26 -4.02 116.66 119.44 3fl9 n ARG 65 Ca -0.15 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.28 3fl9 n ARG 65 Cb 0.58 -1.27 -0.03 0.00 -0.00 0.00 0.00 32.46 31.75 3fl9 n ARG 65 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 3fl9 s ASN 66 N -1.53 6.49 0.00 2.89 2.47 -1.26 -4.85 114.94 119.15 3fl9 s ASN 66 Ca 0.25 -1.47 0.13 0.00 0.42 0.00 0.00 52.86 52.19 3fl9 s ASN 66 Cb 0.12 -2.54 0.76 0.00 -1.45 0.00 0.00 41.25 38.13 3fl9 s ASN 66 CO 0.19 -1.46 1.18 -1.84 -3.72 0.00 0.00 177.10 171.46 3fl9 n GLU 67 N 8.51 0.44 -0.17 0.43 0.28 -1.26 -1.57 120.64 127.30 3fl9 n GLU 67 Ca 0.29 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.37 3fl9 n GLU 67 Cb 0.50 -1.45 0.16 0.00 1.43 0.00 0.00 31.44 32.09 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 -0.11 4.39 3.80 -1.84 0.00 -1.26 -5.03 105.19 105.15 3fl9 n GLY 68 Ca 0.10 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.76 3fl9 n GLY 68 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3fl9 s TYR 69 N -2.62 3.64 -0.08 1.61 5.04 -0.61 -5.09 117.35 119.24 3fl9 s TYR 69 Ca 0.32 0.86 -0.08 0.00 -2.44 0.00 0.00 57.07 55.72 3fl9 s TYR 69 Cb 0.27 -2.30 0.02 0.00 0.35 0.00 0.00 41.96 40.30 3fl9 s TYR 69 CO 0.05 0.51 0.23 -1.01 -1.34 0.00 0.00 175.55 173.99 3fl9 s HIS 70 N -0.54 -0.23 -0.04 4.97 3.76 -1.26 -4.93 115.29 117.01 3fl9 s HIS 70 Ca 0.22 0.55 -0.03 0.00 -0.15 0.00 0.00 55.06 55.65 3fl9 s HIS 70 Cb -0.15 0.08 0.02 0.00 1.11 0.00 0.00 32.58 33.63 3fl9 s HIS 70 CO 0.10 -0.15 0.10 0.54 -0.85 0.00 0.00 174.74 174.48 3fl9 s VAL 71 N -0.05 -0.02 0.26 -0.90 0.11 -1.26 -5.14 120.40 113.40 3fl9 s VAL 71 Ca -0.02 0.06 -0.30 0.00 -2.93 0.00 0.00 61.98 58.80 3fl9 s VAL 71 Cb -0.02 -0.16 -0.10 0.00 -1.53 0.00 0.00 36.38 34.58 3fl9 s VAL 71 CO 0.01 0.03 1.32 -0.70 -3.33 0.00 0.00 175.10 172.42 3fl9 s GLU 72 N 0.42 4.37 0.00 1.54 2.56 -1.26 -3.34 118.70 122.99 3fl9 s GLU 72 Ca -0.03 2.14 0.00 0.00 0.00 0.00 0.00 54.97 57.08 3fl9 s GLU 72 Cb -0.04 -3.13 0.00 0.00 2.00 0.00 0.00 34.13 32.95 3fl9 s GLU 72 CO -0.02 -0.23 0.00 0.41 -0.56 0.00 0.00 175.26 174.86 3fl9 n GLY 73 N 1.68 0.59 2.52 -1.50 0.00 -1.26 -4.85 105.19 102.38 3fl9 n GLY 73 Ca 0.04 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.55 0.80 -0.10 0.00 2.02 0.14 -4.93 118.70 114.07 3fl9 s GLU 75 Ca 0.21 -0.95 0.04 0.00 0.02 0.00 0.00 54.97 54.29 3fl9 s GLU 75 Cb -0.01 -0.77 -0.00 0.00 0.10 0.00 0.00 34.13 33.45 3fl9 s GLU 75 CO 0.15 0.17 -0.23 0.08 0.02 0.00 0.00 175.26 175.45 3fl9 s VAL 76 N -1.33 2.14 -0.03 2.63 1.01 -1.26 -0.46 120.40 123.08 3fl9 s VAL 76 Ca -0.02 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.00 3fl9 s VAL 76 Cb -0.10 -1.82 -0.00 0.00 0.00 0.00 0.00 36.38 34.46 3fl9 s VAL 76 CO 0.02 0.56 -0.13 0.00 0.00 0.00 0.00 175.10 175.54 3fl9 s ALA 77 N 0.36 1.20 -0.92 5.51 0.00 0.19 -4.93 121.76 123.17 3fl9 s ALA 77 Ca -0.18 -0.52 0.16 0.00 0.00 0.00 0.00 51.96 51.41 3fl9 s ALA 77 Cb -0.18 -0.41 -0.13 0.00 0.00 0.00 0.00 23.12 22.41 3fl9 s ALA 77 CO 0.08 0.22 0.71 0.72 0.00 0.00 0.00 175.76 177.49 3fl9 n HIS 78 N 3.18 0.00 -4.29 0.00 8.25 -1.26 -2.13 115.22 118.97 3fl9 n HIS 78 Ca -0.18 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.09 3fl9 n HIS 78 Cb 0.54 0.00 -0.11 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 -2.34 2.31 0.11 0.41 0.01 -1.26 -4.56 113.70 108.38 3fl9 s SER 79 Ca 0.08 -0.88 -0.22 0.00 1.31 0.00 0.00 55.95 56.23 3fl9 s SER 79 Cb 0.12 -0.11 -0.09 0.00 0.21 0.00 0.00 66.02 66.16 3fl9 s SER 79 CO 0.58 -0.13 1.71 0.58 0.41 0.00 0.00 173.24 176.40 3fl9 h VAL 80 N 3.18 0.85 -0.09 3.43 2.07 -1.94 -2.65 116.25 121.10 3fl9 h VAL 80 Ca -0.40 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.12 3fl9 h VAL 80 Cb 1.20 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3fl9 h VAL 80 CO 0.54 0.00 0.06 1.05 0.02 0.00 0.00 177.57 179.24 3fl9 h GLU 81 N -0.06 0.11 0.00 1.57 4.11 -1.98 -1.99 114.58 116.35 3fl9 h GLU 81 Ca 0.05 -0.01 -0.08 0.00 0.07 0.00 0.00 59.36 59.39 3fl9 h GLU 81 Cb 0.12 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3fl9 h GLU 81 CO -0.11 0.08 -0.40 1.49 0.07 0.00 0.00 179.01 180.14 3fl9 h GLU 82 N 0.12 0.00 0.01 1.06 4.81 -1.87 0.10 114.58 118.81 3fl9 h GLU 82 Ca 0.04 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3fl9 h GLU 82 Cb -0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3fl9 h GLU 82 CO -0.01 0.40 -0.00 0.28 -0.73 0.00 0.00 179.01 178.95 3fl9 h VAL 83 N 0.00 1.62 -0.94 0.32 2.07 -1.16 -2.40 116.25 115.75 3fl9 h VAL 83 Ca -0.00 -1.95 0.19 0.00 0.82 0.00 0.00 66.70 65.75 3fl9 h VAL 83 Cb 0.94 2.92 -0.11 0.00 -1.52 0.00 0.00 31.29 33.53 3fl9 h VAL 83 CO 0.05 0.50 0.52 -0.26 0.02 0.00 0.00 177.57 178.40 3fl9 h PHE 84 N -0.86 0.91 -0.53 1.57 0.04 -1.32 0.64 116.94 117.38 3fl9 h PHE 84 Ca -0.00 0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.84 3fl9 h PHE 84 Cb 0.82 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.68 3fl9 h PHE 84 CO 0.22 0.16 0.30 1.49 -0.60 0.00 0.00 178.31 179.88 3fl9 h GLU 85 N 0.64 0.58 0.54 1.51 4.57 -0.83 0.11 114.58 121.70 3fl9 h GLU 85 Ca 0.55 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.67 3fl9 h GLU 85 Cb 0.88 -0.13 0.01 0.00 -0.16 0.00 0.00 28.75 29.35 3fl9 h GLU 85 CO -0.41 0.38 -0.26 -0.07 -1.18 0.00 0.00 179.01 177.47 3fl9 h LEU 86 N 0.60 -0.61 -1.25 1.64 3.38 -0.14 -3.13 115.31 115.80 3fl9 h LEU 86 Ca 0.22 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3fl9 h LEU 86 Cb 0.07 0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3fl9 h LEU 86 CO -0.12 -0.33 0.00 0.00 0.09 0.00 0.00 178.44 178.08 3fl9 h LYS 88 N 0.35 0.61 -0.87 0.00 3.64 -0.71 -1.88 116.57 117.71 3fl9 h LYS 88 Ca 0.00 -0.04 -0.46 0.00 -1.27 0.00 0.00 60.65 58.88 3fl9 h LYS 88 Cb 0.45 -0.14 -0.27 0.00 -0.41 0.00 0.00 32.23 31.86 3fl9 h LYS 88 CO 0.00 0.40 0.51 0.09 -2.27 0.00 0.00 179.45 178.18 3fl9 n ASN 89 N -4.74 3.72 -4.95 4.20 3.02 -1.26 -4.95 115.26 110.31 3fl9 n ASN 89 Ca 0.24 -3.66 -0.20 0.00 -0.03 0.00 0.00 54.58 50.93 3fl9 n ASN 89 Cb 0.67 -0.80 -0.02 0.00 -0.61 0.00 0.00 39.78 39.02 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 -3.32 3.21 -0.01 3.52 0.41 -0.71 -5.01 118.70 116.79 3fl9 s GLU 90 Ca 0.55 -0.92 0.22 0.00 -0.41 0.00 0.00 54.97 54.41 3fl9 s GLU 90 Cb 0.47 -2.79 -0.30 0.00 -1.78 0.00 0.00 34.13 29.73 3fl9 s GLU 90 CO 0.08 0.28 0.56 0.39 -0.49 0.00 0.00 175.26 176.08 3fl9 n GLU 91 N -1.46 0.61 -3.64 1.61 4.71 -1.26 -4.59 120.64 116.63 3fl9 n GLU 91 Ca -0.05 -0.16 -0.04 0.00 -0.01 0.00 0.00 57.16 56.90 3fl9 n GLU 91 Cb 0.58 -1.55 -0.07 0.00 -1.01 0.00 0.00 31.44 29.39 3fl9 n GLU 91 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 3fl9 s GLU 92 N -3.47 0.38 0.37 3.49 2.12 -1.26 -1.03 118.70 119.29 3fl9 s GLU 92 Ca -0.06 0.56 0.09 0.00 0.36 0.00 0.00 54.97 55.92 3fl9 s GLU 92 Cb 0.14 0.13 -0.07 0.00 0.26 0.00 0.00 34.13 34.59 3fl9 s GLU 92 CO 0.90 -0.06 -0.04 0.96 -0.54 0.00 0.00 175.26 176.47 3fl9 s ILE 93 N 0.85 2.23 -0.23 -3.70 -4.36 -0.09 -4.37 121.20 111.53 3fl9 s ILE 93 Ca -0.04 -2.09 0.01 0.00 -0.26 0.00 0.00 60.65 58.27 3fl9 s ILE 93 Cb -0.04 -2.78 0.06 0.00 1.25 0.00 0.00 42.46 40.94 3fl9 s ILE 93 CO -0.12 -0.14 -0.07 -0.36 0.24 0.00 0.00 174.94 174.50 3fl9 s PHE 94 N -2.62 2.49 -0.34 1.37 0.08 -0.47 -0.95 117.98 117.54 3fl9 s PHE 94 Ca 0.34 -1.79 -0.28 0.00 0.12 0.00 0.00 56.93 55.32 3fl9 s PHE 94 Cb 0.04 -1.62 -0.02 0.00 -0.57 0.00 0.00 43.02 40.86 3fl9 s PHE 94 CO 0.18 -0.78 1.77 0.42 -0.10 0.00 0.00 175.22 176.70 3fl9 s ILE 95 N 1.37 3.51 -0.16 0.64 -1.09 0.92 0.48 121.20 126.87 3fl9 s ILE 95 Ca -0.06 0.51 -0.15 0.00 -2.23 0.00 0.00 60.65 58.73 3fl9 s ILE 95 Cb -0.19 -3.70 -0.23 0.00 -1.58 0.00 0.00 42.46 36.77 3fl9 s ILE 95 CO -0.06 -0.45 0.31 0.15 -1.23 0.00 0.00 174.94 173.66 3fl9 h PHE 96 N 12.75 0.25 -2.18 3.97 3.57 0.60 -2.54 116.94 133.35 3fl9 h PHE 96 Ca -0.33 -0.18 0.15 0.00 3.53 0.00 0.00 57.97 61.14 3fl9 h PHE 96 Cb 1.16 -0.01 -0.13 0.00 2.79 0.00 0.00 35.95 39.76 3fl9 h PHE 96 CO 0.96 1.62 0.54 0.20 -2.23 0.00 0.00 178.31 179.40 3fl9 s GLY 97 N -5.17 -0.38 0.00 2.40 0.00 -1.24 -4.65 107.32 98.28 3fl9 s GLY 97 Ca -0.25 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.27 3fl9 s GLY 97 CO 0.68 0.25 0.00 0.61 0.00 0.00 0.00 173.10 174.64 3fl9 n GLY 98 N -0.31 1.17 0.50 0.20 0.00 -1.26 -3.80 105.19 101.69 3fl9 n GLY 98 Ca -0.07 -0.77 0.31 0.00 0.00 0.00 0.00 46.02 45.49 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 2.91 0.12 4.61 0.00 -1.99 0.55 119.26 125.46 3fl9 h ALA 99 Ca 0.00 -0.04 -0.32 0.00 0.00 0.00 0.00 54.91 54.55 3fl9 h ALA 99 Cb 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3fl9 h ALA 99 CO 0.00 -1.31 -1.68 1.96 0.00 0.00 0.00 179.25 178.22 3fl9 h GLN 100 N 0.00 0.25 -0.80 0.00 1.08 -1.91 -3.30 115.11 110.43 3fl9 h GLN 100 Ca 0.48 -0.43 0.08 0.00 -1.45 0.00 0.00 58.65 57.33 3fl9 h GLN 100 Cb 2.05 0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 29.59 3fl9 h GLN 100 CO -0.01 1.11 0.52 0.82 -0.95 0.00 0.00 178.83 180.32 3fl9 h ILE 101 N 0.07 0.99 -0.23 2.54 1.08 -0.27 -0.16 117.51 121.52 3fl9 h ILE 101 Ca -0.30 -0.27 -0.08 0.00 -0.39 0.00 0.00 64.86 63.82 3fl9 h ILE 101 Cb 2.04 0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 35.90 3fl9 h ILE 101 CO 0.14 0.15 -0.20 1.88 -0.69 0.00 0.00 178.15 179.43 3fl9 h TYR 102 N 0.80 0.45 -0.34 1.37 0.05 -0.97 -2.31 116.97 116.01 3fl9 h TYR 102 Ca 0.36 -0.08 -0.14 0.00 0.05 0.00 0.00 58.73 58.92 3fl9 h TYR 102 Cb 0.34 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 3fl9 h TYR 102 CO -0.00 0.59 -0.34 -0.44 -1.05 0.00 0.00 178.16 176.92 3fl9 h ASP 103 N 0.38 0.81 -0.22 3.88 3.32 -1.14 0.15 116.42 123.60 3fl9 h ASP 103 Ca 0.06 -0.35 -0.04 0.00 0.02 0.00 0.00 57.03 56.73 3fl9 h ASP 103 Cb 0.57 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 3fl9 h ASP 103 CO 0.04 1.08 0.04 -0.07 -1.72 0.00 0.00 179.24 178.60 3fl9 h LEU 104 N 0.65 0.43 -3.13 1.55 3.38 -0.94 -2.99 115.31 114.26 3fl9 h LEU 104 Ca 0.07 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fl9 h LEU 104 Cb 0.88 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3fl9 h LEU 104 CO 0.08 0.47 0.00 0.49 0.09 0.00 0.00 178.44 179.57 3fl9 n PHE 105 N -4.33 0.75 0.03 1.13 3.72 -0.90 -4.49 117.46 113.37 3fl9 n PHE 105 Ca 0.01 -0.76 -0.04 0.00 -0.05 0.00 0.00 57.45 56.61 3fl9 n PHE 105 Cb 0.20 -0.22 0.17 0.00 -0.94 0.00 0.00 39.48 38.70 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 1.77 0.45 -0.13 4.37 5.85 -0.53 -2.94 115.31 124.15 3fl9 h LEU 106 Ca 0.00 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3fl9 h LEU 106 Cb 1.20 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3fl9 h LEU 106 CO 0.14 0.78 0.00 -2.65 -0.34 0.00 0.00 178.44 176.37 3fl9 n PRO 107 N -4.06 0.06 0.00 5.25 -0.02 -1.26 -3.72 135.00 131.25 3fl9 n PRO 107 Ca -0.01 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3fl9 n PRO 107 Cb 0.47 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 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 -1.70 0.00 -2.02 6.00 4.01 -1.19 -5.06 117.16 117.20 3fl9 n TYR 108 Ca 0.04 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.37 3fl9 n TYR 108 Cb 0.24 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.26 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 -0.76 2.59 -0.07 -0.72 0.11 -1.12 -4.50 120.40 115.93 3fl9 s VAL 109 Ca 0.00 0.54 0.04 0.00 -2.93 0.00 0.00 61.98 59.63 3fl9 s VAL 109 Cb 0.00 -3.34 -0.07 0.00 -1.53 0.00 0.00 36.38 31.43 3fl9 s VAL 109 CO 0.00 0.11 -0.00 0.47 -3.33 0.00 0.00 175.10 172.35 3fl9 n ASP 110 N 1.53 3.42 -4.07 3.54 8.00 0.50 -4.95 116.55 124.52 3fl9 n ASP 110 Ca 0.04 -0.01 -0.09 0.00 0.71 0.00 0.00 54.79 55.44 3fl9 n ASP 110 Cb 0.41 0.46 -0.10 0.00 -0.02 0.00 0.00 41.12 41.86 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 -2.16 0.55 -0.07 -1.24 2.20 -1.07 -3.13 119.74 114.82 3fl9 s LYS 111 Ca -0.05 -1.01 0.04 0.00 -0.36 0.00 0.00 55.97 54.59 3fl9 s LYS 111 Cb 0.02 0.06 -0.00 0.00 -1.51 0.00 0.00 37.83 36.40 3fl9 s LYS 111 CO 0.24 -0.06 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.45 3fl9 s LEU 112 N -2.36 1.97 -0.68 5.43 1.43 0.70 -1.80 118.68 123.37 3fl9 s LEU 112 Ca -0.01 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 52.68 3fl9 s LEU 112 Cb 0.00 -1.21 0.18 0.00 0.03 0.00 0.00 46.19 45.19 3fl9 s LEU 112 CO -0.05 0.16 0.53 -1.22 0.23 0.00 0.00 176.35 175.99 3fl9 n TYR 113 N 3.37 3.05 -3.73 0.29 4.02 0.33 -1.05 117.16 123.44 3fl9 n TYR 113 Ca -0.19 -4.23 -0.37 0.00 -0.01 0.00 0.00 57.90 53.10 3fl9 n TYR 113 Cb 0.53 -0.56 -0.12 0.00 -0.02 0.00 0.00 39.34 39.16 3fl9 n TYR 113 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3fl9 s ILE 114 N -1.53 4.26 0.16 -0.72 1.01 0.03 -0.91 121.20 123.49 3fl9 s ILE 114 Ca 0.28 -0.42 -0.20 0.00 0.00 0.00 0.00 60.65 60.31 3fl9 s ILE 114 Cb -0.01 -3.11 -0.08 0.00 0.01 0.00 0.00 42.46 39.28 3fl9 s ILE 114 CO -0.15 0.18 0.66 -0.89 0.00 0.00 0.00 174.94 174.74 3fl9 s THR 115 N 1.57 4.63 -0.24 2.92 2.01 0.12 -0.65 115.64 126.00 3fl9 s THR 115 Ca 0.05 1.27 -0.01 0.00 0.31 0.00 0.00 61.69 63.31 3fl9 s THR 115 Cb -0.16 -3.90 0.07 0.00 0.01 0.00 0.00 72.50 68.52 3fl9 s THR 115 CO 0.04 0.37 0.01 -0.54 -0.69 0.00 0.00 174.62 173.81 3fl9 s LYS 116 N -1.58 1.10 -0.14 4.92 1.02 -0.70 0.19 119.74 124.55 3fl9 s LYS 116 Ca 0.37 -0.84 -0.28 0.00 0.02 0.00 0.00 55.97 55.24 3fl9 s LYS 116 Cb -0.18 -2.33 -0.01 0.00 -0.52 0.00 0.00 37.83 34.78 3fl9 s LYS 116 CO 0.21 -0.70 0.93 0.42 -0.92 0.00 0.00 175.35 175.29 3fl9 s ILE 117 N 1.58 4.83 0.00 2.17 1.09 -1.25 -2.80 121.20 126.82 3fl9 s ILE 117 Ca -0.01 1.85 -0.03 0.00 -1.10 0.00 0.00 60.65 61.37 3fl9 s ILE 117 Cb -0.18 -4.23 -0.14 0.00 -1.06 0.00 0.00 42.46 36.85 3fl9 s ILE 117 CO -0.10 0.01 2.47 1.41 -0.10 0.00 0.00 174.94 178.63 3fl9 n HIS 118 N 5.15 0.00 -4.04 3.97 8.25 -0.35 -1.91 115.22 126.29 3fl9 n HIS 118 Ca 0.07 -1.04 -0.07 0.00 -0.26 0.00 0.00 57.72 56.41 3fl9 n HIS 118 Cb 0.49 -1.02 -0.09 0.00 1.12 0.00 0.00 29.99 30.48 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 1.06 0.43 -0.79 4.41 5.04 -1.26 -4.83 115.29 119.34 3fl9 s HIS 119 Ca 0.34 -0.95 -0.03 0.00 -1.54 0.00 0.00 55.06 52.88 3fl9 s HIS 119 Cb 0.16 -0.31 0.20 0.00 0.04 0.00 0.00 32.58 32.67 3fl9 s HIS 119 CO 0.00 -0.41 0.66 0.00 -2.34 0.00 0.00 174.74 172.65 3fl9 s ALA 120 N -3.81 4.00 0.61 1.58 0.00 -1.26 -2.74 121.76 120.13 3fl9 s ALA 120 Ca 0.06 -3.59 -0.07 0.00 0.00 0.00 0.00 51.96 48.36 3fl9 s ALA 120 Cb 0.07 -2.84 0.01 0.00 0.00 0.00 0.00 23.12 20.36 3fl9 s ALA 120 CO -0.10 -2.15 0.94 -0.06 0.00 0.00 0.00 175.76 174.39 3fl9 s PHE 121 N -0.76 3.25 -0.16 0.00 0.40 -1.26 -5.07 117.98 114.39 3fl9 s PHE 121 Ca 0.23 0.70 -0.17 0.00 -0.60 0.00 0.00 56.93 57.09 3fl9 s PHE 121 Cb -0.12 -2.81 -0.04 0.00 0.51 0.00 0.00 43.02 40.55 3fl9 s PHE 121 CO -0.09 -0.91 0.44 -2.00 0.70 0.00 0.00 175.22 173.36 3fl9 s GLU 122 N -5.06 4.27 0.10 0.44 2.56 -1.26 -4.97 118.70 114.78 3fl9 s GLU 122 Ca 0.55 0.33 -0.12 0.00 0.00 0.00 0.00 54.97 55.73 3fl9 s GLU 122 Cb -0.11 -3.47 0.01 0.00 2.00 0.00 0.00 34.13 32.56 3fl9 s GLU 122 CO 0.46 0.08 0.27 0.20 -0.56 0.00 0.00 175.26 175.72 3fl9 s GLY 123 N 0.77 -0.06 0.00 -1.50 0.00 -1.26 -4.71 107.32 100.56 3fl9 s GLY 123 Ca 0.23 -0.36 0.04 0.00 0.00 0.00 0.00 44.72 44.62 3fl9 s GLY 123 CO 0.09 -0.58 0.21 2.09 0.00 0.00 0.00 173.10 174.90 3fl9 n ASP 124 N -0.06 0.30 -4.46 1.64 5.68 -1.04 -4.96 116.55 113.65 3fl9 n ASP 124 Ca -0.16 -0.65 -0.33 0.00 -0.50 0.00 0.00 54.79 53.15 3fl9 n ASP 124 Cb 0.63 0.89 -0.13 0.00 -1.14 0.00 0.00 41.12 41.36 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 -1.23 3.24 0.39 2.12 -4.23 -1.08 -5.04 115.64 109.82 3fl9 s THR 125 Ca 0.02 -0.63 0.04 0.00 -1.18 0.00 0.00 61.69 59.93 3fl9 s THR 125 Cb 0.03 -2.32 -0.03 0.00 1.34 0.00 0.00 72.50 71.51 3fl9 s THR 125 CO 0.14 0.56 0.11 -0.36 -0.54 0.00 0.00 174.62 174.53 3fl9 s PHE 126 N -0.28 1.82 -0.21 3.99 0.40 -1.26 -0.86 117.98 121.57 3fl9 s PHE 126 Ca 0.03 -1.20 -0.03 0.00 -0.60 0.00 0.00 56.93 55.12 3fl9 s PHE 126 Cb -0.13 -1.19 -0.01 0.00 0.51 0.00 0.00 43.02 42.20 3fl9 s PHE 126 CO 0.03 -0.22 -0.05 0.12 0.70 0.00 0.00 175.22 175.80 3fl9 s PHE 127 N -3.23 2.94 0.68 0.36 5.36 0.43 -4.37 117.98 120.16 3fl9 s PHE 127 Ca 0.26 -0.90 -0.17 0.00 -0.96 0.00 0.00 56.93 55.17 3fl9 s PHE 127 Cb 0.04 -2.07 -0.02 0.00 -0.34 0.00 0.00 43.02 40.62 3fl9 s PHE 127 CO 0.14 -0.50 0.82 -2.30 -1.46 0.00 0.00 175.22 171.92 3fl9 n PRO 128 N 4.62 0.54 -2.16 10.12 -0.02 -1.26 -4.91 135.00 141.93 3fl9 n PRO 128 Ca -0.18 0.23 -0.26 0.00 -2.02 0.00 0.00 63.50 61.26 3fl9 n PRO 128 Cb 0.51 -2.07 0.08 0.00 -0.02 0.00 0.00 33.50 32.00 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 -2.96 2.03 0.00 -0.52 2.02 -1.26 -5.10 118.70 112.90 3fl9 s GLU 129 Ca 0.72 -0.26 0.00 0.00 0.02 0.00 0.00 54.97 55.45 3fl9 s GLU 129 Cb -0.37 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 31.74 3fl9 s GLU 129 CO 0.52 -1.38 0.00 -1.33 0.02 0.00 0.00 175.26 173.08 3fl9 n MET 130 N -3.03 0.00 -2.48 1.61 2.81 -1.26 -5.17 117.12 109.60 3fl9 n MET 130 Ca 0.09 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.73 3fl9 n MET 130 Cb 0.60 0.00 0.12 0.00 -0.71 0.00 0.00 33.22 33.23 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 1.17 4.17 0.40 7.83 -4.77 -1.26 -5.02 116.67 119.18 3fl9 s ASP 131 Ca 0.00 -0.25 0.00 0.00 -3.30 0.00 0.00 52.55 49.00 3fl9 s ASP 131 Cb 0.00 -0.08 0.00 0.00 -1.09 0.00 0.00 42.92 41.75 3fl9 s ASP 131 CO 0.00 -1.99 0.00 0.35 0.70 0.00 0.00 175.17 174.23 3fl9 n THR 133 N -2.98 0.00 -3.80 2.11 -2.24 -1.26 -3.50 114.28 102.62 3fl9 n THR 133 Ca 0.15 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.68 3fl9 n THR 133 Cb 0.60 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.83 3fl9 n THR 133 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3fl9 s ASN 134 N -4.00 4.71 0.00 3.42 0.02 -1.26 -4.96 114.94 112.86 3fl9 s ASN 134 Ca 0.00 -1.14 0.00 0.00 -1.02 0.00 0.00 52.86 50.70 3fl9 s ASN 134 Cb 0.00 0.23 0.00 0.00 0.02 0.00 0.00 41.25 41.50 3fl9 s ASN 134 CO 0.00 -1.03 0.00 0.79 0.02 0.00 0.00 177.10 176.88 3fl9 n TRP 135 N -1.74 0.00 -3.48 2.20 7.02 -1.23 -5.11 117.44 115.10 3fl9 n TRP 135 Ca 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.49 3fl9 n TRP 135 Cb 0.64 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.49 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 1.46 0.43 -0.26 -0.99 2.20 -1.05 -4.18 119.74 117.36 3fl9 s LYS 136 Ca 0.00 1.05 -0.28 0.00 -0.36 0.00 0.00 55.97 56.37 3fl9 s LYS 136 Cb 0.00 0.63 0.01 0.00 -1.51 0.00 0.00 37.83 36.96 3fl9 s LYS 136 CO 0.00 -0.18 1.03 -2.00 -0.36 0.00 0.00 175.35 173.83 3fl9 s GLU 137 N 2.69 4.19 -0.05 4.03 2.12 -1.26 -1.22 118.70 129.20 3fl9 s GLU 137 Ca -0.02 1.23 0.19 0.00 0.36 0.00 0.00 54.97 56.73 3fl9 s GLU 137 Cb -0.09 -3.67 -0.23 0.00 0.26 0.00 0.00 34.13 30.39 3fl9 s GLU 137 CO -0.18 -0.70 0.47 1.55 -0.54 0.00 0.00 175.26 175.86 3fl9 n VAL 138 N 5.47 0.87 -3.64 3.70 3.14 -0.92 -5.00 118.33 121.96 3fl9 n VAL 138 Ca 0.11 -0.69 -0.08 0.00 -2.96 0.00 0.00 64.34 60.72 3fl9 n VAL 138 Cb 0.46 -0.40 -0.07 0.00 -1.06 0.00 0.00 33.84 32.77 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 -2.97 -0.42 0.11 1.45 5.36 -1.23 -5.06 117.98 115.21 3fl9 s PHE 139 Ca -0.07 1.03 0.04 0.00 -0.96 0.00 0.00 56.93 56.97 3fl9 s PHE 139 Cb 0.09 0.38 -0.04 0.00 -0.34 0.00 0.00 43.02 43.11 3fl9 s PHE 139 CO 0.85 -0.20 -0.11 0.54 -1.46 0.00 0.00 175.22 174.84 3fl9 s VAL 140 N 0.21 1.06 -0.23 3.12 0.11 -1.26 -1.74 120.40 121.66 3fl9 s VAL 140 Ca 0.04 -1.70 -0.08 0.00 -2.93 0.00 0.00 61.98 57.30 3fl9 s VAL 140 Cb -0.05 -1.45 0.10 0.00 -1.53 0.00 0.00 36.38 33.45 3fl9 s VAL 140 CO -0.07 -0.54 0.51 -0.70 -3.33 0.00 0.00 175.10 170.96 3fl9 s GLU 141 N -2.86 0.43 0.18 1.54 2.12 -0.38 -4.99 118.70 114.74 3fl9 s GLU 141 Ca 0.07 1.17 -0.32 0.00 0.36 0.00 0.00 54.97 56.25 3fl9 s GLU 141 Cb -0.03 0.48 -0.12 0.00 0.26 0.00 0.00 34.13 34.73 3fl9 s GLU 141 CO 0.01 -0.22 1.75 1.17 -0.54 0.00 0.00 175.26 177.43 3fl9 n LYS 142 N 5.30 2.76 -1.13 4.30 4.81 -1.26 -0.87 118.16 132.06 3fl9 n LYS 142 Ca -0.11 1.00 -0.30 0.00 -0.87 0.00 0.00 58.31 58.03 3fl9 n LYS 142 Cb 0.50 -2.86 0.23 0.00 0.02 0.00 0.00 35.03 32.92 3fl9 n LYS 142 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3fl9 s GLY 143 N 1.63 1.59 -0.47 3.14 0.00 -0.24 -4.88 107.32 108.09 3fl9 s GLY 143 Ca 0.77 -0.87 -0.19 0.00 0.00 0.00 0.00 44.72 44.43 3fl9 s GLY 143 CO 0.34 -0.03 0.58 -2.27 0.00 0.00 0.00 173.10 171.72 3fl9 s LEU 144 N -6.82 4.82 -0.10 0.66 2.96 -1.26 -4.78 118.68 114.16 3fl9 s LEU 144 Ca 0.70 -0.70 -0.30 0.00 -0.22 0.00 0.00 54.13 53.61 3fl9 s LEU 144 Cb -0.11 -2.50 -0.01 0.00 0.50 0.00 0.00 46.19 44.06 3fl9 s LEU 144 CO 0.56 -0.78 1.01 -0.89 -1.32 0.00 0.00 176.35 174.93 3fl9 s THR 145 N 2.55 4.79 0.00 3.68 2.01 -1.26 -4.68 115.64 122.73 3fl9 s THR 145 Ca 0.16 2.05 0.00 0.00 0.31 0.00 0.00 61.69 64.21 3fl9 s THR 145 Cb -0.17 -4.32 0.00 0.00 0.01 0.00 0.00 72.50 68.02 3fl9 s THR 145 CO 0.14 0.01 0.00 0.47 -0.69 0.00 0.00 174.62 174.55 3fl9 n ASP 146 N 4.97 0.15 -0.08 3.53 8.00 0.11 -4.93 116.55 128.30 3fl9 n ASP 146 Ca 0.09 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.49 3fl9 n ASP 146 Cb 0.49 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.43 3fl9 n ASP 146 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3fl9 n GLU 147 N 0.00 0.68 -0.47 -1.24 4.71 -1.26 -4.09 120.64 118.97 3fl9 n GLU 147 Ca 0.00 0.06 0.08 0.00 -0.01 0.00 0.00 57.16 57.28 3fl9 n GLU 147 Cb 0.00 -1.58 0.28 0.00 -1.01 0.00 0.00 31.44 29.13 3fl9 n GLU 147 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 3fl9 n LYS 148 N -2.82 3.06 -3.02 3.49 3.00 -1.26 -4.22 118.16 116.39 3fl9 n LYS 148 Ca -0.29 -2.23 -0.15 0.00 -0.00 0.00 0.00 58.31 55.64 3fl9 n LYS 148 Cb 1.14 -1.73 0.01 0.00 0.00 0.00 0.00 35.03 34.45 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 0.88 -0.16 -1.81 3.14 3.02 -1.26 -4.22 115.26 114.85 3fl9 n ASN 149 Ca 0.20 -3.20 -0.02 0.00 -0.03 0.00 0.00 54.58 51.54 3fl9 n ASN 149 Cb 0.70 0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 40.03 3fl9 n ASN 149 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3fl9 n PRO 150 N 0.27 0.80 -3.73 3.52 -0.02 -1.26 -0.71 135.00 133.87 3fl9 n PRO 150 Ca 0.18 -0.16 -0.13 0.00 -2.02 0.00 0.00 63.50 61.37 3fl9 n PRO 150 Cb 0.68 -1.35 -0.10 0.00 -0.02 0.00 0.00 33.50 32.72 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 0.99 -0.48 -0.04 6.00 2.02 -1.26 -5.03 117.35 119.55 3fl9 s TYR 151 Ca 0.11 1.16 -0.24 0.00 -0.37 0.00 0.00 57.07 57.73 3fl9 s TYR 151 Cb 0.05 0.17 -0.04 0.00 -0.40 0.00 0.00 41.96 41.74 3fl9 s TYR 151 CO 0.00 -0.23 0.72 -0.08 -1.57 0.00 0.00 175.55 174.38 3fl9 s THR 152 N 0.30 4.98 0.32 -0.71 -1.32 -1.26 -4.39 115.64 113.56 3fl9 s THR 152 Ca -0.01 1.49 -0.15 0.00 -1.21 0.00 0.00 61.69 61.81 3fl9 s THR 152 Cb -0.03 -4.06 0.02 0.00 -1.51 0.00 0.00 72.50 66.92 3fl9 s THR 152 CO -0.00 0.28 0.66 -0.72 -2.21 0.00 0.00 174.62 172.62 3fl9 s TYR 153 N 0.59 0.22 -0.07 9.09 -0.85 -1.26 -1.21 117.35 123.84 3fl9 s TYR 153 Ca 0.38 -0.70 -0.04 0.00 -0.52 0.00 0.00 57.07 56.19 3fl9 s TYR 153 Cb -0.18 0.53 0.04 0.00 0.38 0.00 0.00 41.96 42.72 3fl9 s TYR 153 CO 0.19 -1.29 0.18 0.71 -1.52 0.00 0.00 175.55 173.82 3fl9 s TYR 154 N -3.26 -0.21 -0.10 -3.49 1.51 -1.12 -1.08 117.35 109.59 3fl9 s TYR 154 Ca 0.18 0.55 -0.27 0.00 -1.01 0.00 0.00 57.07 56.52 3fl9 s TYR 154 Cb -0.04 -0.02 -0.02 0.00 -0.11 0.00 0.00 41.96 41.78 3fl9 s TYR 154 CO 0.11 -0.17 0.87 0.71 -1.11 0.00 0.00 175.55 175.97 3fl9 s TYR 155 N 0.94 3.52 -0.05 2.71 1.51 -0.05 -1.72 117.35 124.21 3fl9 s TYR 155 Ca -0.07 1.41 0.05 0.00 -1.01 0.00 0.00 57.07 57.45 3fl9 s TYR 155 Cb -0.09 -3.03 -0.01 0.00 -0.11 0.00 0.00 41.96 38.73 3fl9 s TYR 155 CO -0.05 -0.13 -0.21 -1.01 -1.11 0.00 0.00 175.55 173.04 3fl9 s HIS 156 N 1.64 2.08 -0.13 2.71 3.76 0.18 -1.25 115.29 124.28 3fl9 s HIS 156 Ca 0.43 -0.63 0.01 0.00 -0.15 0.00 0.00 55.06 54.73 3fl9 s HIS 156 Cb -0.18 -1.38 0.02 0.00 1.11 0.00 0.00 32.58 32.15 3fl9 s HIS 156 CO 0.18 -0.20 -0.16 0.08 -0.85 0.00 0.00 174.74 173.79 3fl9 s VAL 157 N -0.03 1.59 0.17 -0.90 1.01 -0.71 -0.79 120.40 120.74 3fl9 s VAL 157 Ca -0.05 -0.68 0.10 0.00 0.00 0.00 0.00 61.98 61.35 3fl9 s VAL 157 Cb -0.13 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3fl9 s VAL 157 CO 0.03 0.46 -0.16 -0.31 0.00 0.00 0.00 175.10 175.13 3fl9 s TYR 158 N 1.15 2.51 -0.02 5.22 2.02 -0.22 -2.16 117.35 125.86 3fl9 s TYR 158 Ca -0.02 -0.27 0.01 0.00 -0.37 0.00 0.00 57.07 56.42 3fl9 s TYR 158 Cb -0.14 -1.26 0.01 0.00 -0.40 0.00 0.00 41.96 40.17 3fl9 s TYR 158 CO -0.05 0.48 -0.04 -1.21 -1.57 0.00 0.00 175.55 173.16 3fl9 s GLU 159 N -2.62 0.55 0.47 -0.62 2.02 -0.36 -0.22 118.70 117.93 3fl9 s GLU 159 Ca 0.22 -0.10 -0.20 0.00 0.02 0.00 0.00 54.97 54.91 3fl9 s GLU 159 Cb -0.09 -0.58 -0.13 0.00 0.10 0.00 0.00 34.13 33.42 3fl9 s GLU 159 CO 0.12 -0.01 0.19 1.63 0.02 0.00 0.00 175.26 177.21 3fl9 n LYS 160 N 3.60 0.20 -3.39 1.61 5.02 -1.18 -2.52 118.16 121.50 3fl9 n LYS 160 Ca -0.21 0.08 -0.38 0.00 -2.02 0.00 0.00 58.31 55.78 3fl9 n LYS 160 Cb 0.54 -1.23 -0.06 0.00 -0.02 0.00 0.00 35.03 34.26 3fl9 n LYS 160 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3fl9 s GLN 161 N -1.32 4.03 -0.29 1.97 2.00 -1.26 -4.73 119.66 120.07 3fl9 s GLN 161 Ca 0.61 0.55 -0.01 0.00 -2.00 0.00 0.00 55.36 54.51 3fl9 s GLN 161 Cb -0.55 -3.18 0.09 0.00 0.80 0.00 0.00 33.01 30.17 3fl9 s GLN 161 CO 0.61 0.64 0.08 1.14 -0.50 0.00 0.00 175.29 177.27 3fl9 s GLN 162 N -1.23 0.72 0.53 1.67 -2.07 -1.26 -5.07 119.66 112.96 3fl9 s GLN 162 Ca 0.28 -0.95 0.03 0.00 -1.82 0.00 0.00 55.36 52.90 3fl9 s GLN 162 Cb -0.18 -2.00 0.03 0.00 -1.09 0.00 0.00 33.01 29.78 3fl9 s GLN 162 CO 0.17 -0.92 0.74 -0.51 -1.32 0.00 0.00 175.29 173.45 3fl9 s LEU 163 N 1.66 3.34 0.25 2.60 1.02 -1.26 -5.03 118.68 121.27 3fl9 s LEU 163 Ca 0.07 -0.12 -0.29 0.00 0.02 0.00 0.00 54.13 53.82 3fl9 s LEU 163 Cb -0.17 -2.79 -0.15 0.00 0.02 0.00 0.00 46.19 43.10 3fl9 s LEU 163 CO -0.22 -1.09 0.91 0.55 0.02 0.00 0.00 176.35 176.52 3fl9 n VAL 164 N -2.26 1.86 -0.70 -1.59 3.14 -1.26 -4.91 118.33 112.61 3fl9 n VAL 164 Ca 0.08 -0.46 -0.32 0.00 -2.96 0.00 0.00 64.34 60.68 3fl9 n VAL 164 Cb 0.60 -0.73 0.16 0.00 -1.06 0.00 0.00 33.84 32.80 3fl9 n VAL 164 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 3fl9 n PRO 165 N 0.91 -0.45 0.00 1.45 -0.02 -1.26 -5.34 135.00 130.29 3fl9 n PRO 165 Ca 0.12 -0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3fl9 n PRO 165 Cb 0.29 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3fl9 n PRO 165 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02