#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fl8 s ILE 2 N 0.00 4.91 -0.38 1.12 1.01 -0.55 -4.97 121.20 122.34 3fl8 s ILE 2 Ca 0.00 1.27 -0.16 0.00 0.00 0.00 0.00 60.65 61.77 3fl8 s ILE 2 Cb 0.00 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.46 3fl8 s ILE 2 CO 0.00 -0.04 0.36 -0.69 0.00 0.00 0.00 174.94 174.57 3fl8 s VAL 3 N 2.67 5.18 -0.09 2.92 1.01 -1.26 -0.83 120.40 129.99 3fl8 s VAL 3 Ca 0.30 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.04 3fl8 s VAL 3 Cb -0.15 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 3fl8 s VAL 3 CO 0.09 -0.23 -0.16 -0.44 0.00 0.00 0.00 175.10 174.36 3fl8 s SER 4 N 1.75 3.85 -0.03 3.32 0.01 0.29 -0.06 113.70 122.83 3fl8 s SER 4 Ca 0.10 -0.32 -0.24 0.00 1.31 0.00 0.00 55.95 56.80 3fl8 s SER 4 Cb -0.17 -1.26 -0.04 0.00 0.21 0.00 0.00 66.02 64.76 3fl8 s SER 4 CO 0.12 0.23 0.74 -0.36 0.41 0.00 0.00 173.24 174.38 3fl8 s PHE 5 N -0.06 3.63 -0.23 2.43 0.40 -0.16 0.21 117.98 124.20 3fl8 s PHE 5 Ca -0.03 1.34 -0.01 0.00 -0.60 0.00 0.00 56.93 57.63 3fl8 s PHE 5 Cb -0.14 -2.83 0.03 0.00 0.51 0.00 0.00 43.02 40.59 3fl8 s PHE 5 CO 0.04 0.14 -0.09 1.41 0.70 0.00 0.00 175.22 177.41 3fl8 s MET 6 N 0.57 2.84 -0.02 0.44 -2.45 -0.58 -0.18 119.30 119.92 3fl8 s MET 6 Ca 0.39 -0.96 -0.08 0.00 -1.25 0.00 0.00 55.69 53.79 3fl8 s MET 6 Cb -0.19 -2.89 0.01 0.00 1.25 0.00 0.00 34.83 33.01 3fl8 s MET 6 CO 0.20 -0.36 0.16 0.54 1.05 0.00 0.00 175.02 176.61 3fl8 s VAL 7 N 1.31 0.06 -0.09 10.11 0.11 0.07 -4.54 120.40 127.42 3fl8 s VAL 7 Ca 0.01 -0.49 0.03 0.00 -2.93 0.00 0.00 61.98 58.60 3fl8 s VAL 7 Cb -0.16 -0.40 0.00 0.00 -1.53 0.00 0.00 36.38 34.29 3fl8 s VAL 7 CO -0.06 -0.27 -0.20 0.00 -3.33 0.00 0.00 175.10 171.24 3fl8 s ALA 8 N -0.99 1.86 0.08 1.54 0.00 -1.26 -0.40 121.76 122.59 3fl8 s ALA 8 Ca -0.11 -0.78 -0.12 0.00 0.00 0.00 0.00 51.96 50.94 3fl8 s ALA 8 Cb -0.06 -0.72 0.02 0.00 0.00 0.00 0.00 23.12 22.35 3fl8 s ALA 8 CO 0.01 0.23 0.29 0.00 0.00 0.00 0.00 175.76 176.29 3fl8 s MET 9 N 0.43 0.89 0.00 0.00 0.00 -0.13 -4.58 119.30 115.92 3fl8 s MET 9 Ca -0.17 -0.74 0.00 0.00 0.00 0.00 0.00 55.69 54.78 3fl8 s MET 9 Cb -0.17 0.38 0.00 0.00 0.00 0.00 0.00 34.83 35.04 3fl8 s MET 9 CO 0.07 -0.31 0.00 -0.40 0.00 0.00 0.00 175.02 174.38 3fl8 n ASP 10 N 0.11 0.00 0.28 -1.18 5.68 -0.86 -0.60 116.55 119.98 3fl8 n ASP 10 Ca -0.17 -0.54 0.15 0.00 -0.50 0.00 0.00 54.79 53.74 3fl8 n ASP 10 Cb 0.62 0.00 0.83 0.00 -1.14 0.00 0.00 41.12 41.43 3fl8 n ASP 10 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3fl8 h GLU 11 N 0.00 0.00 -0.23 0.11 5.08 -1.33 -1.69 114.58 116.51 3fl8 h GLU 11 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fl8 h GLU 11 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3fl8 h GLU 11 CO 0.00 0.07 0.00 0.09 -1.00 0.00 0.00 179.01 178.17 3fl8 n ASN 12 N -3.47 3.49 -0.32 1.42 5.03 -1.26 -4.96 115.26 115.19 3fl8 n ASN 12 Ca -0.02 -2.85 -0.04 0.00 0.87 0.00 0.00 54.58 52.54 3fl8 n ASN 12 Cb 0.20 -0.47 -0.02 0.00 -1.02 0.00 0.00 39.78 38.48 3fl8 n ASN 12 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3fl8 n ARG 13 N -0.48 -0.47 -1.93 3.52 1.74 -0.64 -4.88 116.66 113.52 3fl8 n ARG 13 Ca 0.19 0.54 -0.42 0.00 -0.77 0.00 0.00 57.85 57.39 3fl8 n ARG 13 Cb 0.77 -4.19 -0.02 0.00 -1.02 0.00 0.00 32.46 27.99 3fl8 n ARG 13 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3fl8 s VAL 14 N -2.07 2.52 0.00 1.55 1.01 -1.26 -0.43 120.40 121.73 3fl8 s VAL 14 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.39 3fl8 s VAL 14 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.12 3fl8 s VAL 14 CO 0.00 0.05 0.40 2.30 0.00 0.00 0.00 175.10 177.85 3fl8 n ILE 15 N 3.03 0.00 -3.55 2.22 -5.35 -0.26 -2.02 119.36 113.42 3fl8 n ILE 15 Ca 0.10 -0.40 -0.08 0.00 -0.27 0.00 0.00 62.75 62.10 3fl8 n ILE 15 Cb 0.39 1.20 -0.03 0.00 -1.74 0.00 0.00 39.64 39.45 3fl8 n ILE 15 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3fl8 s GLY 16 N -0.01 -0.34 -0.05 3.28 0.00 -1.21 -4.78 107.32 104.22 3fl8 s GLY 16 Ca 0.00 1.58 -0.02 0.00 0.00 0.00 0.00 44.72 46.28 3fl8 s GLY 16 CO 0.00 0.66 0.05 1.25 0.00 0.00 0.00 173.10 175.06 3fl8 s LYS 17 N -2.16 0.07 -0.08 2.90 2.47 0.23 -1.31 119.74 121.86 3fl8 s LYS 17 Ca 0.04 0.31 -0.01 0.00 -1.56 0.00 0.00 55.97 54.75 3fl8 s LYS 17 Cb -0.01 -0.64 0.00 0.00 -1.46 0.00 0.00 37.83 35.72 3fl8 s LYS 17 CO -0.04 -0.33 0.07 -0.40 0.16 0.00 0.00 175.35 174.80 3fl8 n ASP 18 N 5.27 -0.53 0.00 1.43 5.68 -1.26 -1.58 116.55 125.56 3fl8 n ASP 18 Ca -0.04 -0.09 0.00 0.00 -0.50 0.00 0.00 54.79 54.16 3fl8 n ASP 18 Cb 0.50 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 3fl8 n ASP 18 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3fl8 n ASN 19 N 0.28 0.00 -4.99 -1.12 0.23 -1.26 -4.99 115.26 103.41 3fl8 n ASN 19 Ca -0.03 0.00 -0.19 0.00 -0.53 0.00 0.00 54.58 53.82 3fl8 n ASN 19 Cb 0.08 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 37.79 3fl8 n ASN 19 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 3fl8 s ASN 20 N 0.04 5.27 -0.03 0.53 0.01 -0.62 -4.78 114.94 115.37 3fl8 s ASN 20 Ca 0.00 -0.70 -0.29 0.00 -0.71 0.00 0.00 52.86 51.16 3fl8 s ASN 20 Cb 0.00 -0.22 -0.03 0.00 0.41 0.00 0.00 41.25 41.42 3fl8 s ASN 20 CO 0.00 -0.97 0.94 -0.76 -1.51 0.00 0.00 177.10 174.80 3fl8 s LEU 21 N -4.42 4.34 0.30 0.60 1.43 -1.26 -0.60 118.68 119.07 3fl8 s LEU 21 Ca 0.54 1.57 0.23 0.00 -1.03 0.00 0.00 54.13 55.45 3fl8 s LEU 21 Cb -0.07 -3.50 1.08 0.00 0.03 0.00 0.00 46.19 43.74 3fl8 s LEU 21 CO 0.33 -0.27 1.71 -2.65 0.23 0.00 0.00 176.35 175.71 3fl8 n PRO 22 N 4.05 0.18 -4.49 1.29 -0.02 -1.26 -4.73 135.00 130.02 3fl8 n PRO 22 Ca 0.05 0.51 -0.24 0.00 -2.02 0.00 0.00 63.50 61.81 3fl8 n PRO 22 Cb 0.51 -1.93 -0.10 0.00 -0.02 0.00 0.00 33.50 31.96 3fl8 n PRO 22 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3fl8 s TRP 23 N -3.43 2.24 -0.29 6.00 -2.14 -1.26 -5.03 118.94 115.03 3fl8 s TRP 23 Ca 0.02 -0.53 0.01 0.00 2.66 0.00 0.00 56.10 58.26 3fl8 s TRP 23 Cb 0.08 -1.22 0.09 0.00 -3.10 0.00 0.00 33.47 29.31 3fl8 s TRP 23 CO 0.33 0.52 0.03 0.50 -2.66 0.00 0.00 176.95 175.67 3fl8 s ARG 24 N -3.63 1.22 -0.54 3.25 3.52 -1.26 -5.05 118.95 116.47 3fl8 s ARG 24 Ca 0.31 -1.25 0.04 0.00 -0.13 0.00 0.00 55.73 54.70 3fl8 s ARG 24 Cb 0.01 -2.54 0.16 0.00 -1.56 0.00 0.00 34.95 31.03 3fl8 s ARG 24 CO 0.15 -0.83 0.37 -0.51 -0.81 0.00 0.00 175.30 173.66 3fl8 s LEU 25 N 1.35 3.18 0.30 -0.88 1.43 -1.26 -4.58 118.68 118.22 3fl8 s LEU 25 Ca 0.05 -3.26 0.05 0.00 -1.03 0.00 0.00 54.13 49.94 3fl8 s LEU 25 Cb -0.18 -1.10 0.74 0.00 0.03 0.00 0.00 46.19 45.68 3fl8 s LEU 25 CO -0.13 -0.16 1.74 -0.65 0.23 0.00 0.00 176.35 177.37 3fl8 h PRO 26 N 5.85 0.59 -0.69 1.29 0.11 -1.97 -0.45 132.00 136.73 3fl8 h PRO 26 Ca 0.14 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.17 3fl8 h PRO 26 Cb 0.85 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.80 3fl8 h PRO 26 CO 0.55 0.39 0.26 1.03 -0.21 0.00 0.00 178.00 180.01 3fl8 h SER 27 N 0.60 0.95 -0.05 -2.05 0.87 -1.92 -1.11 113.55 110.85 3fl8 h SER 27 Ca 0.57 -0.14 0.01 0.00 -1.23 0.00 0.00 61.79 61.00 3fl8 h SER 27 Cb 0.99 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 3fl8 h SER 27 CO -0.44 0.85 -0.03 -0.08 -0.53 0.00 0.00 176.83 176.60 3fl8 h GLU 28 N 1.00 -0.04 -0.39 2.24 4.22 -1.46 -1.72 114.58 118.43 3fl8 h GLU 28 Ca 0.23 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.67 3fl8 h GLU 28 Cb 0.22 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3fl8 h GLU 28 CO -0.02 -0.02 0.25 -0.07 -2.18 0.00 0.00 179.01 176.97 3fl8 h LEU 29 N -0.04 0.46 -0.98 1.64 3.38 -1.12 -0.35 115.31 118.31 3fl8 h LEU 29 Ca 0.03 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 3fl8 h LEU 29 Cb 0.08 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3fl8 h LEU 29 CO -0.07 0.34 -0.22 -0.61 0.09 0.00 0.00 178.44 177.98 3fl8 h GLN 30 N 0.54 0.49 -0.38 1.13 5.75 -0.87 -0.39 115.11 121.37 3fl8 h GLN 30 Ca 0.14 -0.17 -0.03 0.00 -0.15 0.00 0.00 58.65 58.44 3fl8 h GLN 30 Cb -0.04 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 3fl8 h GLN 30 CO -0.03 0.68 0.12 -0.92 -2.65 0.00 0.00 178.83 176.03 3fl8 h TYR 31 N 0.44 0.61 -0.39 3.99 3.20 -0.23 -0.86 116.97 123.72 3fl8 h TYR 31 Ca 0.07 -0.06 0.05 0.00 3.14 0.00 0.00 58.73 61.93 3fl8 h TYR 31 Cb 0.62 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 3fl8 h TYR 31 CO 0.02 0.58 0.13 0.28 -1.64 0.00 0.00 178.16 177.53 3fl8 h VAL 32 N 0.46 0.88 -0.39 1.81 2.07 -0.67 -0.10 116.25 120.31 3fl8 h VAL 32 Ca 0.12 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 3fl8 h VAL 32 Cb 0.25 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3fl8 h VAL 32 CO -0.00 0.05 0.24 0.50 0.02 0.00 0.00 177.57 178.38 3fl8 h LYS 33 N 0.29 0.53 -0.51 1.57 3.64 -0.88 -1.33 116.57 119.88 3fl8 h LYS 33 Ca 0.18 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3fl8 h LYS 33 Cb 0.17 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3fl8 h LYS 33 CO -0.19 0.40 0.24 -0.22 -2.27 0.00 0.00 179.45 177.42 3fl8 h LYS 34 N 0.52 0.73 -0.34 1.90 3.64 -0.82 -2.97 116.57 119.23 3fl8 h LYS 34 Ca 0.14 -0.11 -0.17 0.00 -1.27 0.00 0.00 60.65 59.25 3fl8 h LYS 34 Cb 0.00 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3fl8 h LYS 34 CO -0.03 0.61 -0.45 1.15 -2.27 0.00 0.00 179.45 178.47 3fl8 h THR 35 N 0.68 1.27 -0.35 1.00 2.02 -0.74 -3.22 112.91 113.57 3fl8 h THR 35 Ca 0.17 -1.63 0.00 0.00 0.77 0.00 0.00 66.41 65.73 3fl8 h THR 35 Cb 0.12 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3fl8 h THR 35 CO -0.02 0.54 0.00 0.35 0.37 0.00 0.00 175.52 176.76 3fl8 n THR 36 N -4.03 0.47 -1.83 3.16 -2.24 -0.53 -4.95 114.28 104.34 3fl8 n THR 36 Ca -0.03 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.83 3fl8 n THR 36 Cb 0.58 0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 69.09 3fl8 n THR 36 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3fl8 s MET 37 N -1.53 4.17 -0.24 -0.78 0.00 -1.12 -2.00 119.30 117.80 3fl8 s MET 37 Ca 0.28 2.45 0.00 0.00 0.00 0.00 0.00 55.69 58.42 3fl8 s MET 37 Cb 0.15 -3.70 0.00 0.00 0.00 0.00 0.00 34.83 31.28 3fl8 s MET 37 CO 0.20 -0.81 0.00 0.41 0.00 0.00 0.00 175.02 174.82 3fl8 n GLY 38 N 4.16 0.56 3.09 2.11 0.00 -1.25 -5.04 105.19 108.83 3fl8 n GLY 38 Ca 0.17 -0.86 -0.15 0.00 0.00 0.00 0.00 46.02 45.18 3fl8 n GLY 38 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fl8 s HIS 39 N -2.07 0.86 0.39 1.61 3.76 -0.85 -5.02 115.29 113.98 3fl8 s HIS 39 Ca 0.00 -0.45 -0.27 0.00 -0.15 0.00 0.00 55.06 54.19 3fl8 s HIS 39 Cb 0.00 -0.50 -0.09 0.00 1.11 0.00 0.00 32.58 33.10 3fl8 s HIS 39 CO 0.00 -0.03 1.31 -2.14 -0.85 0.00 0.00 174.74 173.03 3fl8 s PRO 40 N -1.52 4.05 -0.24 8.40 0.02 -1.26 -4.35 135.00 140.11 3fl8 s PRO 40 Ca -0.06 2.18 -0.08 0.00 0.02 0.00 0.00 61.00 63.06 3fl8 s PRO 40 Cb -0.09 -2.82 -0.04 0.00 0.02 0.00 0.00 34.50 31.57 3fl8 s PRO 40 CO 0.01 -0.43 0.09 -0.51 -0.33 0.00 0.00 177.00 175.83 3fl8 s LEU 41 N -2.30 3.67 -0.25 -5.54 1.43 0.16 -1.68 118.68 114.18 3fl8 s LEU 41 Ca 0.55 -0.08 -0.07 0.00 -1.03 0.00 0.00 54.13 53.49 3fl8 s LEU 41 Cb -0.39 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 43.83 3fl8 s LEU 41 CO 0.50 0.02 0.08 -0.63 0.23 0.00 0.00 176.35 176.55 3fl8 s ILE 42 N 1.30 4.38 0.03 -0.59 -1.09 0.71 -1.03 121.20 124.91 3fl8 s ILE 42 Ca 0.05 -0.15 -0.03 0.00 -2.23 0.00 0.00 60.65 58.29 3fl8 s ILE 42 Cb -0.15 -3.05 -0.02 0.00 -1.58 0.00 0.00 42.46 37.67 3fl8 s ILE 42 CO 0.04 0.34 0.05 0.00 -1.23 0.00 0.00 174.94 174.14 3fl8 s MET 43 N 1.57 0.49 0.86 2.79 0.23 -0.60 0.13 119.30 124.78 3fl8 s MET 43 Ca 0.06 -0.72 -0.11 0.00 -1.03 0.00 0.00 55.69 53.88 3fl8 s MET 43 Cb -0.15 0.19 0.11 0.00 -1.53 0.00 0.00 34.83 33.44 3fl8 s MET 43 CO 0.04 -0.11 1.09 0.20 -2.03 0.00 0.00 175.02 174.21 3fl8 s GLY 44 N -1.93 1.63 0.08 3.16 0.00 -1.02 -0.13 107.32 109.11 3fl8 s GLY 44 Ca -0.08 -0.03 -0.26 0.00 0.00 0.00 0.00 44.72 44.35 3fl8 s GLY 44 CO -0.03 0.43 1.68 -0.09 0.00 0.00 0.00 173.10 175.08 3fl8 h ARG 45 N -1.40 -0.27 -0.59 2.90 2.43 -1.90 -0.82 114.38 114.74 3fl8 h ARG 45 Ca -0.48 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 58.82 3fl8 h ARG 45 Cb 1.27 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 30.80 3fl8 h ARG 45 CO 0.55 -0.16 0.12 0.87 -1.51 0.00 0.00 179.97 179.84 3fl8 h LYS 46 N -0.31 0.25 -0.57 0.20 1.57 -1.93 0.25 116.57 116.03 3fl8 h LYS 46 Ca -0.03 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3fl8 h LYS 46 Cb 0.23 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 3fl8 h LYS 46 CO 0.05 0.16 0.37 -0.97 -0.57 0.00 0.00 179.45 178.49 3fl8 h ASN 47 N 0.26 0.63 -0.47 0.86 -1.24 -1.81 -0.41 115.58 113.39 3fl8 h ASN 47 Ca 0.31 -0.01 -0.08 0.00 0.71 0.00 0.00 56.30 57.23 3fl8 h ASN 47 Cb 0.45 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.33 3fl8 h ASN 47 CO -0.39 0.45 0.03 0.22 -1.29 0.00 0.00 177.43 176.44 3fl8 h TYR 48 N 0.75 0.93 0.00 0.67 3.20 0.00 -2.60 116.97 119.92 3fl8 h TYR 48 Ca 0.21 -0.13 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 3fl8 h TYR 48 Cb -0.06 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 37.94 3fl8 h TYR 48 CO -0.04 0.83 -0.49 0.93 -1.64 0.00 0.00 178.16 177.75 3fl8 h GLU 49 N 0.82 0.00 0.00 1.82 5.08 -0.46 -2.21 114.58 119.63 3fl8 h GLU 49 Ca 0.16 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 3fl8 h GLU 49 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3fl8 h GLU 49 CO 0.02 0.49 -0.37 0.00 -1.00 0.00 0.00 179.01 178.15 3fl8 h ALA 50 N 1.51 1.37 0.00 3.43 0.00 -0.71 -2.94 119.26 121.92 3fl8 h ALA 50 Ca -0.00 -0.33 -0.20 0.00 0.00 0.00 0.00 54.91 54.37 3fl8 h ALA 50 Cb 0.99 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3fl8 h ALA 50 CO 0.06 0.46 -1.07 0.82 0.00 0.00 0.00 179.25 179.52 3fl8 h ILE 51 N 0.00 1.24 0.00 0.00 2.04 -1.20 -3.48 117.51 116.11 3fl8 h ILE 51 Ca -0.00 -2.88 0.00 0.00 1.00 0.00 0.00 64.86 62.98 3fl8 h ILE 51 Cb 0.66 2.59 0.00 0.00 -0.74 0.00 0.00 36.82 39.32 3fl8 h ILE 51 CO 0.05 0.70 0.00 0.61 0.00 0.00 0.00 178.15 179.51 3fl8 n GLY 52 N 1.37 2.29 3.11 5.37 0.00 -0.87 -4.97 105.19 111.49 3fl8 n GLY 52 Ca -0.04 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 3fl8 n GLY 52 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fl8 s ARG 53 N 0.00 0.67 0.20 1.61 1.70 -1.26 -4.99 118.95 116.88 3fl8 s ARG 53 Ca 0.00 -1.13 -0.31 0.00 -0.47 0.00 0.00 55.73 53.81 3fl8 s ARG 53 Cb 0.00 -0.09 -0.11 0.00 -0.57 0.00 0.00 34.95 34.18 3fl8 s ARG 53 CO 0.00 -0.03 1.62 -2.14 -1.08 0.00 0.00 175.30 173.67 3fl8 s PRO 54 N -3.22 4.17 -0.39 3.89 0.02 -1.26 -4.93 135.00 133.28 3fl8 s PRO 54 Ca 0.04 2.47 -0.29 0.00 0.02 0.00 0.00 61.00 63.24 3fl8 s PRO 54 Cb 0.02 -3.11 0.01 0.00 0.02 0.00 0.00 34.50 31.44 3fl8 s PRO 54 CO -0.05 -0.65 1.29 -0.51 -0.33 0.00 0.00 177.00 176.75 3fl8 s LEU 55 N 0.85 3.70 0.67 -5.54 1.43 -1.26 -4.98 118.68 113.56 3fl8 s LEU 55 Ca 0.70 0.85 -0.17 0.00 -1.03 0.00 0.00 54.13 54.48 3fl8 s LEU 55 Cb -0.46 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.21 3fl8 s LEU 55 CO 0.34 -1.25 1.14 -2.65 0.23 0.00 0.00 176.35 174.16 3fl8 n PRO 56 N 7.73 0.83 -0.84 1.29 -0.02 -1.26 -3.45 135.00 139.27 3fl8 n PRO 56 Ca 0.14 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3fl8 n PRO 56 Cb 0.48 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3fl8 n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fl8 n GLY 57 N 1.00 0.77 3.03 -1.23 0.00 -1.26 -5.03 105.19 102.46 3fl8 n GLY 57 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 3fl8 n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fl8 s ARG 58 N -0.16 0.43 -0.21 1.61 3.00 -1.22 -3.80 118.95 118.59 3fl8 s ARG 58 Ca 0.00 -0.74 -0.29 0.00 0.00 0.00 0.00 55.73 54.71 3fl8 s ARG 58 Cb 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 34.95 34.87 3fl8 s ARG 58 CO 0.00 -0.02 1.83 1.03 0.00 0.00 0.00 175.30 178.15 3fl8 s ARG 59 N -1.77 3.58 -0.36 3.54 0.52 -1.26 -4.90 118.95 118.30 3fl8 s ARG 59 Ca -0.11 1.80 -0.19 0.00 -0.52 0.00 0.00 55.73 56.71 3fl8 s ARG 59 Cb -0.08 -4.16 0.00 0.00 0.52 0.00 0.00 34.95 31.23 3fl8 s ARG 59 CO -0.01 -1.56 0.56 -0.80 0.02 0.00 0.00 175.30 173.50 3fl8 s ASN 60 N 5.57 6.35 -0.25 0.23 0.02 -1.26 -0.67 114.94 124.93 3fl8 s ASN 60 Ca 0.82 -0.03 -0.04 0.00 -1.02 0.00 0.00 52.86 52.59 3fl8 s ASN 60 Cb -0.28 -2.29 0.01 0.00 0.02 0.00 0.00 41.25 38.71 3fl8 s ASN 60 CO 0.33 -0.54 -0.01 -0.63 0.02 0.00 0.00 177.10 176.27 3fl8 s ILE 61 N 2.51 3.40 -0.17 0.60 1.01 -0.19 -1.24 121.20 127.12 3fl8 s ILE 61 Ca 0.20 -0.70 -0.11 0.00 0.00 0.00 0.00 60.65 60.05 3fl8 s ILE 61 Cb -0.15 -2.66 -0.05 0.00 0.01 0.00 0.00 42.46 39.61 3fl8 s ILE 61 CO 0.14 0.26 0.18 -0.63 0.00 0.00 0.00 174.94 174.89 3fl8 s ILE 62 N 1.44 5.39 -0.28 2.92 1.01 0.10 -1.55 121.20 130.22 3fl8 s ILE 62 Ca 0.03 0.31 -0.09 0.00 0.00 0.00 0.00 60.65 60.90 3fl8 s ILE 62 Cb -0.16 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 3fl8 s ILE 62 CO -0.02 0.46 0.12 -0.69 0.00 0.00 0.00 174.94 174.81 3fl8 s VAL 63 N 0.14 4.54 -0.08 2.92 1.01 0.81 -0.85 120.40 128.89 3fl8 s VAL 63 Ca 0.12 -0.24 -0.17 0.00 0.00 0.00 0.00 61.98 61.68 3fl8 s VAL 63 Cb -0.12 -3.21 0.04 0.00 0.00 0.00 0.00 36.38 33.09 3fl8 s VAL 63 CO 0.01 0.21 0.40 0.28 0.00 0.00 0.00 175.10 176.00 3fl8 s THR 64 N 1.63 0.03 0.22 3.92 -1.32 -0.38 -2.99 115.64 116.74 3fl8 s THR 64 Ca 0.06 -0.22 0.27 0.00 -1.21 0.00 0.00 61.69 60.58 3fl8 s THR 64 Cb -0.16 -0.65 0.28 0.00 -1.51 0.00 0.00 72.50 70.46 3fl8 s THR 64 CO 0.06 -0.12 1.93 -0.09 -2.21 0.00 0.00 174.62 174.18 3fl8 h ARG 65 N 4.42 0.00 -6.26 7.08 2.43 -1.85 -3.34 114.38 116.86 3fl8 h ARG 65 Ca -0.28 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.34 3fl8 h ARG 65 Cb 1.17 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.69 3fl8 h ARG 65 CO 0.33 0.16 1.24 1.21 -1.51 0.00 0.00 179.97 181.41 3fl8 s ASN 66 N -6.08 5.83 0.56 -3.80 2.47 -1.26 -4.87 114.94 107.80 3fl8 s ASN 66 Ca -0.00 0.89 0.37 0.00 0.42 0.00 0.00 52.86 54.53 3fl8 s ASN 66 Cb 0.11 -2.53 1.77 0.00 -1.45 0.00 0.00 41.25 39.15 3fl8 s ASN 66 CO 0.60 -1.83 2.10 -0.33 -3.72 0.00 0.00 177.10 173.93 3fl8 h GLU 67 N 12.86 0.00 0.00 0.43 4.39 -1.99 -2.50 114.58 127.77 3fl8 h GLU 67 Ca -0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.40 3fl8 h GLU 67 Cb 1.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 3fl8 h GLU 67 CO 1.10 0.00 -0.77 0.41 -1.16 0.00 0.00 179.01 178.59 3fl8 n GLY 68 N -0.53 -1.33 3.70 -3.84 0.00 -1.26 -4.94 105.19 96.99 3fl8 n GLY 68 Ca -0.01 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 3fl8 n GLY 68 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3fl8 s TYR 69 N -3.17 2.38 0.02 1.61 5.04 -0.94 -5.00 117.35 117.29 3fl8 s TYR 69 Ca 0.05 0.13 -0.00 0.00 -2.44 0.00 0.00 57.07 54.81 3fl8 s TYR 69 Cb 0.14 -4.13 -0.02 0.00 0.35 0.00 0.00 41.96 38.30 3fl8 s TYR 69 CO 0.75 -4.55 -0.02 -1.01 -1.34 0.00 0.00 175.55 169.38 3fl8 s HIS 70 N 2.32 0.26 -0.19 4.97 3.76 -1.26 -4.91 115.29 120.24 3fl8 s HIS 70 Ca 0.78 -0.54 -0.10 0.00 -0.15 0.00 0.00 55.06 55.05 3fl8 s HIS 70 Cb -0.46 -0.19 0.07 0.00 1.11 0.00 0.00 32.58 33.10 3fl8 s HIS 70 CO 0.35 -0.21 0.46 0.54 -0.85 0.00 0.00 174.74 175.03 3fl8 s VAL 71 N -1.61 -0.09 0.29 -0.90 0.11 -1.26 -5.13 120.40 111.81 3fl8 s VAL 71 Ca -0.14 0.08 -0.30 0.00 -2.93 0.00 0.00 61.98 58.69 3fl8 s VAL 71 Cb -0.09 -0.69 -0.12 0.00 -1.53 0.00 0.00 36.38 33.95 3fl8 s VAL 71 CO -0.01 0.03 1.44 -1.84 -3.33 0.00 0.00 175.10 171.39 3fl8 n GLU 72 N 4.39 2.30 -0.89 1.54 0.28 -1.26 -1.83 120.64 125.18 3fl8 n GLU 72 Ca -0.21 0.82 0.00 0.00 -0.16 0.00 0.00 57.16 57.60 3fl8 n GLU 72 Cb 0.55 -2.49 0.00 0.00 1.43 0.00 0.00 31.44 30.93 3fl8 n GLU 72 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3fl8 n GLY 73 N 1.63 1.00 3.27 -1.84 0.00 -1.26 -4.91 105.19 103.08 3fl8 n GLY 73 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 3fl8 n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fl8 s GLU 75 N -1.85 3.54 -0.07 0.00 2.02 -0.37 -4.64 118.70 117.33 3fl8 s GLU 75 Ca 0.06 -0.27 0.04 0.00 0.02 0.00 0.00 54.97 54.81 3fl8 s GLU 75 Cb -0.10 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 31.36 3fl8 s GLU 75 CO 0.04 0.32 -0.18 0.08 0.02 0.00 0.00 175.26 175.54 3fl8 s VAL 76 N -1.99 1.58 0.21 2.63 1.01 -1.26 -0.72 120.40 121.87 3fl8 s VAL 76 Ca 0.40 -0.76 0.11 0.00 0.00 0.00 0.00 61.98 61.73 3fl8 s VAL 76 Cb -0.11 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 3fl8 s VAL 76 CO 0.30 0.45 -0.22 0.00 0.00 0.00 0.00 175.10 175.64 3fl8 s ALA 77 N 0.35 2.52 0.00 5.51 0.00 -0.03 -4.94 121.76 125.17 3fl8 s ALA 77 Ca -0.13 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.14 3fl8 s ALA 77 Cb -0.15 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.68 3fl8 s ALA 77 CO 0.05 0.35 0.72 0.72 0.00 0.00 0.00 175.76 177.61 3fl8 n HIS 78 N -0.00 0.00 -3.61 0.00 8.25 -1.25 -1.25 115.22 117.36 3fl8 n HIS 78 Ca -0.10 -0.24 -0.05 0.00 -0.26 0.00 0.00 57.72 57.06 3fl8 n HIS 78 Cb 0.57 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.64 3fl8 n HIS 78 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3fl8 s SER 79 N -0.49 -0.25 0.17 0.41 1.04 -1.26 -4.59 113.70 108.73 3fl8 s SER 79 Ca 0.00 -0.15 -0.14 0.00 0.48 0.00 0.00 55.95 56.14 3fl8 s SER 79 Cb 0.00 0.37 0.09 0.00 0.10 0.00 0.00 66.02 66.58 3fl8 s SER 79 CO 0.00 -0.64 1.79 0.58 0.98 0.00 0.00 173.24 175.95 3fl8 h VAL 80 N 2.00 0.99 -0.53 5.02 2.07 -1.96 -1.73 116.25 122.10 3fl8 h VAL 80 Ca -0.22 -0.16 0.10 0.00 0.82 0.00 0.00 66.70 67.24 3fl8 h VAL 80 Cb 1.23 0.48 -0.08 0.00 -1.52 0.00 0.00 31.29 31.39 3fl8 h VAL 80 CO 0.28 0.09 0.03 -0.08 0.02 0.00 0.00 177.57 177.90 3fl8 h GLU 81 N 0.47 0.14 -0.62 1.57 4.81 -1.99 0.14 114.58 119.11 3fl8 h GLU 81 Ca 0.19 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 3fl8 h GLU 81 Cb 0.08 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3fl8 h GLU 81 CO -0.12 0.09 0.09 0.93 -0.73 0.00 0.00 179.01 179.27 3fl8 h GLU 82 N 0.14 1.01 -0.35 1.92 5.08 -1.82 -0.47 114.58 120.08 3fl8 h GLU 82 Ca 0.27 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3fl8 h GLU 82 Cb 0.41 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3fl8 h GLU 82 CO -0.42 0.94 0.22 0.28 -1.00 0.00 0.00 179.01 179.03 3fl8 h VAL 83 N 0.95 1.11 -0.23 3.13 2.07 -0.39 0.14 116.25 123.02 3fl8 h VAL 83 Ca 0.19 -0.23 -0.08 0.00 0.82 0.00 0.00 66.70 67.40 3fl8 h VAL 83 Cb 0.43 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3fl8 h VAL 83 CO 0.01 0.11 -0.22 -0.26 0.02 0.00 0.00 177.57 177.23 3fl8 h PHE 84 N 0.47 0.46 0.27 1.57 0.04 -0.61 0.09 116.94 119.24 3fl8 h PHE 84 Ca 0.13 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 3fl8 h PHE 84 Cb -0.02 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.01 3fl8 h PHE 84 CO -0.04 0.62 -0.13 1.49 -0.60 0.00 0.00 178.31 179.64 3fl8 h GLU 85 N 0.38 -0.35 -0.89 1.51 4.57 -0.67 -1.70 114.58 117.43 3fl8 h GLU 85 Ca 0.06 0.02 0.12 0.00 -1.18 0.00 0.00 59.36 58.38 3fl8 h GLU 85 Cb 0.60 0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 29.20 3fl8 h GLU 85 CO 0.04 -0.12 0.57 -0.07 -1.18 0.00 0.00 179.01 178.25 3fl8 h LEU 86 N -0.51 0.72 -3.67 1.64 3.38 -0.36 -1.89 115.31 114.62 3fl8 h LEU 86 Ca -0.04 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 3fl8 h LEU 86 Cb 0.38 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 3fl8 h LEU 86 CO 0.06 0.40 0.17 0.00 0.09 0.00 0.00 178.44 179.16 3fl8 n LYS 88 N 0.07 -0.06 -0.06 0.00 4.81 -0.65 -1.15 118.16 121.12 3fl8 n LYS 88 Ca 0.36 1.07 0.10 0.00 -0.87 0.00 0.00 58.31 58.97 3fl8 n LYS 88 Cb 1.32 -1.61 0.12 0.00 0.02 0.00 0.00 35.03 34.88 3fl8 n LYS 88 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3fl8 n ASN 89 N -5.09 2.88 -4.77 3.14 3.02 -1.26 -5.00 115.26 108.17 3fl8 n ASN 89 Ca 0.12 -1.88 -0.38 0.00 -0.03 0.00 0.00 54.58 52.42 3fl8 n ASN 89 Cb 0.37 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.44 3fl8 n ASN 89 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3fl8 s GLU 90 N -1.58 4.07 0.07 3.52 0.41 -0.30 -4.96 118.70 119.93 3fl8 s GLU 90 Ca 0.27 1.73 -0.07 0.00 -0.41 0.00 0.00 54.97 56.49 3fl8 s GLU 90 Cb 0.18 -2.62 -0.28 0.00 -1.78 0.00 0.00 34.13 29.63 3fl8 s GLU 90 CO 0.26 -0.28 1.13 1.49 -0.49 0.00 0.00 175.26 177.37 3fl8 h GLU 91 N 2.55 0.36 -2.18 1.61 4.81 -1.94 -3.41 114.58 116.38 3fl8 h GLU 91 Ca -0.49 -0.58 -0.06 0.00 -0.13 0.00 0.00 59.36 58.11 3fl8 h GLU 91 Cb 1.23 0.21 -0.22 0.00 0.63 0.00 0.00 28.75 30.60 3fl8 h GLU 91 CO 0.62 1.26 0.03 -2.00 -0.73 0.00 0.00 179.01 178.20 3fl8 s GLU 92 N -2.73 0.74 0.14 1.92 2.12 -1.26 -1.48 118.70 118.16 3fl8 s GLU 92 Ca -0.05 0.91 0.08 0.00 0.36 0.00 0.00 54.97 56.26 3fl8 s GLU 92 Cb 0.07 0.34 -0.04 0.00 0.26 0.00 0.00 34.13 34.76 3fl8 s GLU 92 CO 0.90 -0.09 -0.17 0.96 -0.54 0.00 0.00 175.26 176.31 3fl8 s ILE 93 N 0.44 1.67 -0.27 -3.70 -4.36 -0.01 -4.07 121.20 110.90 3fl8 s ILE 93 Ca -0.01 -1.81 0.02 0.00 -0.26 0.00 0.00 60.65 58.59 3fl8 s ILE 93 Cb -0.05 -1.72 0.06 0.00 1.25 0.00 0.00 42.46 42.00 3fl8 s ILE 93 CO -0.01 -0.31 -0.09 -0.36 0.24 0.00 0.00 174.94 174.41 3fl8 s PHE 94 N -1.96 3.26 -0.28 1.37 0.08 -0.67 -0.55 117.98 119.23 3fl8 s PHE 94 Ca 0.13 -2.22 -0.29 0.00 0.12 0.00 0.00 56.93 54.67 3fl8 s PHE 94 Cb -0.06 -1.97 -0.01 0.00 -0.57 0.00 0.00 43.02 40.42 3fl8 s PHE 94 CO 0.05 -0.86 1.43 0.42 -0.10 0.00 0.00 175.22 176.16 3fl8 s ILE 95 N 1.14 3.95 -2.81 0.64 -1.09 0.13 -0.21 121.20 122.95 3fl8 s ILE 95 Ca -0.08 1.06 0.25 0.00 -2.23 0.00 0.00 60.65 59.65 3fl8 s ILE 95 Cb -0.20 -3.99 0.25 0.00 -1.58 0.00 0.00 42.46 36.95 3fl8 s ILE 95 CO -0.04 -0.43 1.35 0.33 -1.23 0.00 0.00 174.94 174.92 3fl8 n PHE 96 N 8.06 0.00 0.00 3.97 7.35 0.36 -1.53 117.46 135.66 3fl8 n PHE 96 Ca 0.16 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.85 3fl8 n PHE 96 Cb 0.46 -0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.29 3fl8 n PHE 96 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3fl8 n GLY 97 N 1.32 -0.86 0.17 7.13 0.00 -1.24 -4.94 105.19 106.77 3fl8 n GLY 97 Ca 0.15 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 44.00 3fl8 n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fl8 n GLY 98 N 0.00 0.06 0.29 -0.02 0.00 -1.26 -2.43 105.19 101.84 3fl8 n GLY 98 Ca 0.00 -1.00 0.09 0.00 0.00 0.00 0.00 46.02 45.11 3fl8 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fl8 h ALA 99 N 0.00 1.06 -0.41 4.61 0.00 -1.98 -0.23 119.26 122.31 3fl8 h ALA 99 Ca 0.00 0.22 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3fl8 h ALA 99 Cb 0.00 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3fl8 h ALA 99 CO 0.00 -0.42 -0.03 1.96 0.00 0.00 0.00 179.25 180.76 3fl8 h GLN 100 N 0.20 0.68 -0.55 0.00 4.20 -1.93 -1.64 115.11 116.07 3fl8 h GLN 100 Ca 0.48 -0.18 -0.08 0.00 0.06 0.00 0.00 58.65 58.93 3fl8 h GLN 100 Cb 0.91 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 3fl8 h GLN 100 CO -0.63 0.71 0.00 0.82 -0.67 0.00 0.00 178.83 179.07 3fl8 h ILE 101 N 0.64 1.26 -0.46 2.54 1.08 -1.37 -1.43 117.51 119.77 3fl8 h ILE 101 Ca 0.13 -1.08 -0.02 0.00 -0.39 0.00 0.00 64.86 63.49 3fl8 h ILE 101 Cb 0.44 0.83 -0.02 0.00 -3.07 0.00 0.00 36.82 35.00 3fl8 h ILE 101 CO 0.02 0.39 0.20 1.88 -0.69 0.00 0.00 178.15 179.95 3fl8 h TYR 102 N 0.86 0.68 -0.80 1.37 0.05 -0.75 -2.72 116.97 115.66 3fl8 h TYR 102 Ca 0.16 -0.04 0.06 0.00 0.05 0.00 0.00 58.73 58.96 3fl8 h TYR 102 Cb 0.50 -0.21 -0.06 0.00 1.01 0.00 0.00 36.73 37.98 3fl8 h TYR 102 CO 0.03 0.56 0.48 -0.44 -1.05 0.00 0.00 178.16 177.74 3fl8 h ASP 103 N 0.60 0.73 -0.37 3.88 3.32 -0.98 -1.13 116.42 122.47 3fl8 h ASP 103 Ca 0.16 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3fl8 h ASP 103 Cb 0.15 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3fl8 h ASP 103 CO -0.02 0.46 0.21 -0.07 -1.72 0.00 0.00 179.24 178.11 3fl8 h LEU 104 N 0.87 0.48 -1.66 1.55 3.38 -0.98 -2.97 115.31 115.97 3fl8 h LEU 104 Ca 0.35 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3fl8 h LEU 104 Cb 0.20 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3fl8 h LEU 104 CO -0.18 0.39 -0.13 0.49 0.09 0.00 0.00 178.44 179.11 3fl8 n PHE 105 N -4.43 0.00 -0.34 1.13 3.72 -0.83 -4.48 117.46 112.23 3fl8 n PHE 105 Ca 0.03 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.59 3fl8 n PHE 105 Cb 0.10 -0.00 0.38 0.00 -0.94 0.00 0.00 39.48 39.02 3fl8 n PHE 105 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3fl8 h LEU 106 N 4.05 0.69 -0.10 4.37 5.85 -1.06 -0.14 115.31 128.97 3fl8 h LEU 106 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3fl8 h LEU 106 Cb 0.92 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.94 3fl8 h LEU 106 CO 0.00 0.19 0.00 -2.65 -0.34 0.00 0.00 178.44 175.64 3fl8 n PRO 107 N -4.78 0.03 0.00 5.25 -0.02 -1.26 -3.21 135.00 131.02 3fl8 n PRO 107 Ca 0.25 0.24 0.01 0.00 -2.02 0.00 0.00 63.50 61.98 3fl8 n PRO 107 Cb 0.68 -1.56 0.01 0.00 -0.02 0.00 0.00 33.50 32.61 3fl8 n PRO 107 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3fl8 n TYR 108 N -1.62 0.00 -2.20 6.00 4.01 -0.11 -5.05 117.16 118.19 3fl8 n TYR 108 Ca 0.04 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.37 3fl8 n TYR 108 Cb 0.21 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.21 3fl8 n TYR 108 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3fl8 s VAL 109 N -0.49 3.01 -0.01 -0.72 0.11 -0.96 -4.54 120.40 116.80 3fl8 s VAL 109 Ca 0.03 0.93 0.03 0.00 -2.93 0.00 0.00 61.98 60.04 3fl8 s VAL 109 Cb 0.02 -3.60 -0.05 0.00 -1.53 0.00 0.00 36.38 31.23 3fl8 s VAL 109 CO 0.05 0.19 0.05 0.47 -3.33 0.00 0.00 175.10 172.54 3fl8 n ASP 110 N 1.58 4.25 -3.77 3.54 8.00 0.92 -4.97 116.55 126.09 3fl8 n ASP 110 Ca 0.02 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.39 3fl8 n ASP 110 Cb 0.43 0.96 -0.11 0.00 -0.02 0.00 0.00 41.12 42.38 3fl8 n ASP 110 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3fl8 s LYS 111 N -2.18 0.36 -0.18 -1.24 2.20 -1.03 -3.66 119.74 114.02 3fl8 s LYS 111 Ca -0.01 0.37 0.01 0.00 -0.36 0.00 0.00 55.97 55.98 3fl8 s LYS 111 Cb 0.02 0.17 0.02 0.00 -1.51 0.00 0.00 37.83 36.53 3fl8 s LYS 111 CO 0.13 -0.05 -0.19 -0.51 -0.36 0.00 0.00 175.35 174.38 3fl8 s LEU 112 N 0.07 2.20 -0.42 5.43 1.43 -0.46 -0.99 118.68 125.95 3fl8 s LEU 112 Ca -0.01 -0.62 -0.07 0.00 -1.03 0.00 0.00 54.13 52.41 3fl8 s LEU 112 Cb -0.02 -1.50 0.10 0.00 0.03 0.00 0.00 46.19 44.79 3fl8 s LEU 112 CO 0.01 0.01 0.25 -0.31 0.23 0.00 0.00 176.35 176.53 3fl8 s TYR 113 N 1.23 3.42 -0.18 0.29 1.51 0.75 -1.03 117.35 123.34 3fl8 s TYR 113 Ca 0.03 -1.88 0.01 0.00 -1.01 0.00 0.00 57.07 54.22 3fl8 s TYR 113 Cb -0.13 -3.10 0.03 0.00 -0.11 0.00 0.00 41.96 38.64 3fl8 s TYR 113 CO -0.10 -0.92 -0.14 0.42 -1.11 0.00 0.00 175.55 173.70 3fl8 s ILE 114 N 1.32 1.77 -0.25 2.71 1.01 -0.19 -0.75 121.20 126.82 3fl8 s ILE 114 Ca 0.04 -0.90 -0.18 0.00 0.00 0.00 0.00 60.65 59.62 3fl8 s ILE 114 Cb -0.23 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 3fl8 s ILE 114 CO -0.01 0.36 0.52 -0.89 0.00 0.00 0.00 174.94 174.92 3fl8 s THR 115 N 1.38 5.08 -0.33 2.92 2.01 0.46 -0.72 115.64 126.44 3fl8 s THR 115 Ca 0.02 0.90 -0.10 0.00 0.31 0.00 0.00 61.69 62.83 3fl8 s THR 115 Cb -0.14 -3.83 0.01 0.00 0.01 0.00 0.00 72.50 68.54 3fl8 s THR 115 CO -0.10 0.11 0.16 -0.54 -0.69 0.00 0.00 174.62 173.55 3fl8 s LYS 116 N 2.14 3.15 -0.22 4.92 1.02 -0.31 -0.96 119.74 129.48 3fl8 s LYS 116 Ca 0.22 -0.85 -0.17 0.00 0.02 0.00 0.00 55.97 55.20 3fl8 s LYS 116 Cb -0.16 -3.58 -0.03 0.00 -0.52 0.00 0.00 37.83 33.54 3fl8 s LYS 116 CO 0.09 -0.50 0.44 0.42 -0.92 0.00 0.00 175.35 174.88 3fl8 s ILE 117 N 1.58 5.15 -1.54 2.17 1.01 0.23 -1.63 121.20 128.17 3fl8 s ILE 117 Ca 0.03 0.78 -0.11 0.00 0.00 0.00 0.00 60.65 61.35 3fl8 s ILE 117 Cb -0.18 -3.77 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 3fl8 s ILE 117 CO 0.06 0.19 2.63 1.41 0.00 0.00 0.00 174.94 179.23 3fl8 n HIS 118 N 4.85 2.84 -3.44 3.97 8.25 0.14 -2.89 115.22 128.94 3fl8 n HIS 118 Ca -0.07 -3.03 -0.12 0.00 -0.26 0.00 0.00 57.72 54.25 3fl8 n HIS 118 Cb 0.51 -2.46 -0.02 0.00 1.12 0.00 0.00 29.99 29.14 3fl8 n HIS 118 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3fl8 s HIS 119 N 2.25 -0.51 -0.36 4.41 5.04 -1.26 -4.74 115.29 120.11 3fl8 s HIS 119 Ca 0.60 0.37 -0.05 0.00 -1.54 0.00 0.00 55.06 54.45 3fl8 s HIS 119 Cb 0.16 0.54 0.07 0.00 0.04 0.00 0.00 32.58 33.40 3fl8 s HIS 119 CO -0.07 -0.77 0.13 0.00 -2.34 0.00 0.00 174.74 171.69 3fl8 s ALA 120 N -3.42 3.06 0.54 1.58 0.00 -1.26 -2.39 121.76 119.87 3fl8 s ALA 120 Ca 0.01 -2.06 0.04 0.00 0.00 0.00 0.00 51.96 49.94 3fl8 s ALA 120 Cb -0.01 -2.29 0.04 0.00 0.00 0.00 0.00 23.12 20.86 3fl8 s ALA 120 CO -0.10 -1.52 0.75 -0.06 0.00 0.00 0.00 175.76 174.83 3fl8 s PHE 121 N 1.29 2.57 -0.29 0.00 0.40 -1.26 -5.07 117.98 115.62 3fl8 s PHE 121 Ca 0.01 -0.21 -0.22 0.00 -0.60 0.00 0.00 56.93 55.91 3fl8 s PHE 121 Cb -0.21 -2.64 -0.01 0.00 0.51 0.00 0.00 43.02 40.68 3fl8 s PHE 121 CO -0.00 -0.88 0.70 -1.83 0.70 0.00 0.00 175.22 173.91 3fl8 s GLU 122 N -4.69 4.00 0.15 0.44 1.03 -1.26 -5.03 118.70 113.33 3fl8 s GLU 122 Ca 0.58 0.52 0.01 0.00 0.03 0.00 0.00 54.97 56.10 3fl8 s GLU 122 Cb -0.09 -3.70 -0.04 0.00 -0.80 0.00 0.00 34.13 29.49 3fl8 s GLU 122 CO 0.38 -0.57 0.02 0.20 -1.33 0.00 0.00 175.26 173.96 3fl8 s GLY 123 N 1.56 1.08 0.00 -3.83 0.00 -1.26 -4.66 107.32 100.21 3fl8 s GLY 123 Ca 0.29 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.49 3fl8 s GLY 123 CO 0.11 -1.45 0.27 2.09 0.00 0.00 0.00 173.10 174.11 3fl8 n ASP 124 N -0.16 0.53 -4.00 1.64 5.68 -0.43 -4.96 116.55 114.86 3fl8 n ASP 124 Ca -0.07 -0.85 -0.13 0.00 -0.50 0.00 0.00 54.79 53.24 3fl8 n ASP 124 Cb 0.63 0.15 -0.12 0.00 -1.14 0.00 0.00 41.12 40.64 3fl8 n ASP 124 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3fl8 s THR 125 N -0.15 0.35 0.06 2.12 -1.32 -1.17 -5.03 115.64 110.50 3fl8 s THR 125 Ca 0.00 -0.70 0.03 0.00 -1.21 0.00 0.00 61.69 59.81 3fl8 s THR 125 Cb 0.00 -0.40 -0.03 0.00 -1.51 0.00 0.00 72.50 70.56 3fl8 s THR 125 CO 0.00 -0.24 -0.10 -0.36 -2.21 0.00 0.00 174.62 171.71 3fl8 s PHE 126 N -0.92 0.89 -0.23 9.09 0.40 -1.26 -1.10 117.98 124.85 3fl8 s PHE 126 Ca -0.07 -0.51 -0.29 0.00 -0.60 0.00 0.00 56.93 55.46 3fl8 s PHE 126 Cb -0.07 -0.52 -0.00 0.00 0.51 0.00 0.00 43.02 42.94 3fl8 s PHE 126 CO -0.00 -0.03 1.19 0.12 0.70 0.00 0.00 175.22 177.20 3fl8 s PHE 127 N -1.47 2.97 0.49 0.36 5.36 0.43 -4.67 117.98 121.45 3fl8 s PHE 127 Ca -0.06 1.12 -0.22 0.00 -0.96 0.00 0.00 56.93 56.81 3fl8 s PHE 127 Cb -0.09 -3.55 -0.08 0.00 -0.34 0.00 0.00 43.02 38.95 3fl8 s PHE 127 CO 0.01 -1.29 0.95 -2.30 -1.46 0.00 0.00 175.22 171.13 3fl8 n PRO 128 N 6.71 1.13 -1.62 10.12 -0.02 -1.26 -4.90 135.00 145.16 3fl8 n PRO 128 Ca 0.13 0.42 -0.39 0.00 -2.02 0.00 0.00 63.50 61.64 3fl8 n PRO 128 Cb 0.46 -2.05 0.03 0.00 -0.02 0.00 0.00 33.50 31.92 3fl8 n PRO 128 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3fl8 n GLU 129 N -0.25 1.17 -3.84 -0.52 -0.58 -1.26 -5.03 120.64 110.34 3fl8 n GLU 129 Ca 0.11 0.43 -0.13 0.00 -0.42 0.00 0.00 57.16 57.16 3fl8 n GLU 129 Cb 0.43 -2.14 -0.14 0.00 -0.57 0.00 0.00 31.44 29.02 3fl8 n GLU 129 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 3fl8 s MET 130 N -2.41 0.03 -0.61 3.49 -1.94 -1.26 -5.10 119.30 111.50 3fl8 s MET 130 Ca 0.69 0.08 -0.27 0.00 -1.71 0.00 0.00 55.69 54.48 3fl8 s MET 130 Cb -0.47 -0.03 0.00 0.00 2.01 0.00 0.00 34.83 36.34 3fl8 s MET 130 CO 0.52 -0.04 1.58 0.34 -0.01 0.00 0.00 175.02 177.42 3fl8 s ASP 131 N 0.22 5.78 0.00 3.03 2.15 -1.26 -4.86 116.67 121.74 3fl8 s ASP 131 Ca -0.02 0.20 0.30 0.00 0.43 0.00 0.00 52.55 53.46 3fl8 s ASP 131 Cb -0.03 -2.54 1.42 0.00 -0.30 0.00 0.00 42.92 41.47 3fl8 s ASP 131 CO -0.01 -2.00 1.98 0.23 -0.17 0.00 0.00 175.17 175.20 3fl8 n MET 132 N 9.02 0.58 0.13 4.34 2.81 -1.26 -3.10 117.12 129.63 3fl8 n MET 132 Ca 0.14 -0.10 0.12 0.00 -1.81 0.00 0.00 57.70 56.05 3fl8 n MET 132 Cb 0.50 -1.50 0.50 0.00 -0.71 0.00 0.00 33.22 32.01 3fl8 n MET 132 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3fl8 n THR 133 N -1.12 0.83 1.28 2.03 -2.24 -1.26 -1.24 114.28 112.55 3fl8 n THR 133 Ca 0.15 0.24 0.14 0.00 -2.27 0.00 0.00 64.05 62.31 3fl8 n THR 133 Cb 0.25 -1.17 0.56 0.00 -2.10 0.00 0.00 70.33 67.86 3fl8 n THR 133 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3fl8 n ASN 134 N -2.25 0.39 -4.48 3.42 5.03 -1.18 -4.91 115.26 111.29 3fl8 n ASN 134 Ca 0.02 -0.33 -0.29 0.00 0.87 0.00 0.00 54.58 54.84 3fl8 n ASN 134 Cb 0.23 -0.10 -0.12 0.00 -1.02 0.00 0.00 39.78 38.77 3fl8 n ASN 134 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 3fl8 s TRP 135 N -2.64 2.52 -0.09 3.10 0.52 -0.37 0.34 118.94 122.31 3fl8 s TRP 135 Ca 0.24 -0.27 0.03 0.00 0.02 0.00 0.00 56.10 56.11 3fl8 s TRP 135 Cb 0.19 -1.35 0.01 0.00 -1.15 0.00 0.00 33.47 31.18 3fl8 s TRP 135 CO 0.52 0.37 -0.16 0.21 0.02 0.00 0.00 176.95 177.90 3fl8 s LYS 136 N -2.06 2.19 -0.07 4.98 2.20 0.10 -4.70 119.74 122.38 3fl8 s LYS 136 Ca 0.17 -0.57 -0.30 0.00 -0.36 0.00 0.00 55.97 54.91 3fl8 s LYS 136 Cb -0.11 -1.77 -0.04 0.00 -1.51 0.00 0.00 37.83 34.41 3fl8 s LYS 136 CO 0.09 0.04 1.31 -2.00 -0.36 0.00 0.00 175.35 174.43 3fl8 s GLU 137 N 0.68 4.29 -0.01 4.03 2.12 -1.26 -1.12 118.70 127.44 3fl8 s GLU 137 Ca -0.13 1.79 0.11 0.00 0.36 0.00 0.00 54.97 57.10 3fl8 s GLU 137 Cb -0.16 -3.65 -0.15 0.00 0.26 0.00 0.00 34.13 30.43 3fl8 s GLU 137 CO 0.03 -0.58 0.38 1.33 -0.54 0.00 0.00 175.26 175.88 3fl8 n VAL 138 N 4.90 0.00 -3.63 3.70 0.24 0.82 -4.96 118.33 119.39 3fl8 n VAL 138 Ca 0.13 -0.25 -0.15 0.00 -2.04 0.00 0.00 64.34 62.03 3fl8 n VAL 138 Cb 0.45 0.66 -0.07 0.00 -1.47 0.00 0.00 33.84 33.40 3fl8 n VAL 138 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3fl8 s PHE 139 N -2.40 -0.62 0.00 6.34 5.36 -1.12 -4.98 117.98 120.56 3fl8 s PHE 139 Ca 0.00 1.37 -0.06 0.00 -0.96 0.00 0.00 56.93 57.28 3fl8 s PHE 139 Cb 0.08 0.27 -0.00 0.00 -0.34 0.00 0.00 43.02 43.03 3fl8 s PHE 139 CO 0.47 -0.42 0.11 0.54 -1.46 0.00 0.00 175.22 174.47 3fl8 s VAL 140 N -0.28 0.09 -0.28 3.12 0.11 -1.26 -0.44 120.40 121.46 3fl8 s VAL 140 Ca -0.05 -0.71 -0.17 0.00 -2.93 0.00 0.00 61.98 58.12 3fl8 s VAL 140 Cb -0.03 -0.41 0.08 0.00 -1.53 0.00 0.00 36.38 34.49 3fl8 s VAL 140 CO 0.04 -0.39 0.71 -0.70 -3.33 0.00 0.00 175.10 171.42 3fl8 s GLU 141 N -1.38 0.70 0.09 1.54 2.12 -0.37 -4.97 118.70 116.42 3fl8 s GLU 141 Ca -0.15 1.18 -0.31 0.00 0.36 0.00 0.00 54.97 56.06 3fl8 s GLU 141 Cb -0.08 0.16 -0.07 0.00 0.26 0.00 0.00 34.13 34.40 3fl8 s GLU 141 CO 0.01 -0.14 1.36 0.21 -0.54 0.00 0.00 175.26 176.16 3fl8 s LYS 142 N 1.52 4.33 0.83 4.30 2.20 -1.26 0.03 119.74 131.70 3fl8 s LYS 142 Ca -0.09 2.01 -0.11 0.00 -0.36 0.00 0.00 55.97 57.42 3fl8 s LYS 142 Cb -0.05 -3.32 0.09 0.00 -1.51 0.00 0.00 37.83 33.04 3fl8 s LYS 142 CO -0.18 -0.43 1.09 0.20 -0.36 0.00 0.00 175.35 175.67 3fl8 s GLY 143 N 1.23 1.64 -0.24 5.54 0.00 0.14 -4.90 107.32 110.74 3fl8 s GLY 143 Ca 0.64 0.07 -0.29 0.00 0.00 0.00 0.00 44.72 45.14 3fl8 s GLY 143 CO 0.29 0.49 1.25 -2.27 0.00 0.00 0.00 173.10 172.86 3fl8 s LEU 144 N -6.05 4.03 -0.22 0.66 2.96 -1.26 -4.74 118.68 114.05 3fl8 s LEU 144 Ca 0.62 1.42 -0.06 0.00 -0.22 0.00 0.00 54.13 55.89 3fl8 s LEU 144 Cb -0.17 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.95 3fl8 s LEU 144 CO 0.56 -0.89 0.03 -0.89 -1.32 0.00 0.00 176.35 173.84 3fl8 s THR 145 N 3.85 4.06 0.00 3.68 2.01 -1.26 -4.77 115.64 123.21 3fl8 s THR 145 Ca 0.54 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.27 3fl8 s THR 145 Cb -0.18 -2.87 0.00 0.00 0.01 0.00 0.00 72.50 69.46 3fl8 s THR 145 CO 0.17 0.39 0.00 -0.90 -0.69 0.00 0.00 174.62 173.59 3fl8 n ASP 146 N 4.58 0.00 -0.18 3.53 5.68 -0.51 -4.97 116.55 124.69 3fl8 n ASP 146 Ca -0.17 -0.38 -0.01 0.00 -0.50 0.00 0.00 54.79 53.73 3fl8 n ASP 146 Cb 0.51 0.00 0.08 0.00 -1.14 0.00 0.00 41.12 40.58 3fl8 n ASP 146 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3fl8 h GLU 147 N 0.00 0.19 0.00 0.11 3.07 -1.97 -1.97 114.58 114.00 3fl8 h GLU 147 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3fl8 h GLU 147 Cb 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 3fl8 h GLU 147 CO 0.00 0.13 -0.20 1.63 -1.40 0.00 0.00 179.01 179.17 3fl8 n LYS 148 N -5.17 0.05 -3.51 2.33 5.02 -1.26 -4.45 118.16 111.18 3fl8 n LYS 148 Ca 0.07 0.03 -0.27 0.00 -2.02 0.00 0.00 58.31 56.12 3fl8 n LYS 148 Cb 0.29 -1.55 -0.11 0.00 -0.02 0.00 0.00 35.03 33.65 3fl8 n LYS 148 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3fl8 s ASN 149 N -3.27 2.21 0.29 4.39 0.01 -0.75 -4.37 114.94 113.46 3fl8 s ASN 149 Ca 0.12 -3.22 0.02 0.00 -0.71 0.00 0.00 52.86 49.06 3fl8 s ASN 149 Cb 0.17 -0.70 0.45 0.00 0.41 0.00 0.00 41.25 41.58 3fl8 s ASN 149 CO 0.60 -0.15 1.78 -0.65 -1.51 0.00 0.00 177.10 177.17 3fl8 h PRO 150 N 5.62 0.60 -7.04 -0.60 0.11 -1.76 -1.35 132.00 127.58 3fl8 h PRO 150 Ca 0.24 -0.17 -0.49 0.00 0.11 0.00 0.00 66.00 65.69 3fl8 h PRO 150 Cb 0.88 -0.07 0.04 0.00 0.11 0.00 0.00 31.00 31.97 3fl8 h PRO 150 CO 0.45 0.69 0.16 0.71 -0.21 0.00 0.00 178.00 179.79 3fl8 s TYR 151 N -4.82 3.45 0.06 0.65 2.02 -1.26 -4.72 117.35 112.73 3fl8 s TYR 151 Ca -0.08 0.79 -0.20 0.00 -0.37 0.00 0.00 57.07 57.21 3fl8 s TYR 151 Cb 0.15 -2.50 -0.06 0.00 -0.40 0.00 0.00 41.96 39.14 3fl8 s TYR 151 CO 0.79 -0.52 0.59 0.99 -1.57 0.00 0.00 175.55 175.82 3fl8 s THR 152 N -2.88 4.77 -0.10 -0.71 2.01 -1.26 -4.59 115.64 112.89 3fl8 s THR 152 Ca 0.51 1.25 -0.30 0.00 0.31 0.00 0.00 61.69 63.45 3fl8 s THR 152 Cb -0.10 -3.92 0.09 0.00 0.01 0.00 0.00 72.50 68.58 3fl8 s THR 152 CO 0.46 0.51 0.79 -0.72 -0.69 0.00 0.00 174.62 174.98 3fl8 s TYR 153 N -0.85 -0.56 0.01 4.92 -0.85 -1.26 -0.68 117.35 118.07 3fl8 s TYR 153 Ca 0.30 0.99 0.06 0.00 -0.52 0.00 0.00 57.07 57.90 3fl8 s TYR 153 Cb -0.19 0.42 -0.02 0.00 0.38 0.00 0.00 41.96 42.55 3fl8 s TYR 153 CO 0.19 -0.51 -0.17 0.71 -1.52 0.00 0.00 175.55 174.25 3fl8 s TYR 154 N -1.08 1.51 -0.14 -3.49 1.51 -0.65 0.28 117.35 115.30 3fl8 s TYR 154 Ca -0.07 -0.31 -0.21 0.00 -1.01 0.00 0.00 57.07 55.46 3fl8 s TYR 154 Cb -0.00 -0.94 -0.03 0.00 -0.11 0.00 0.00 41.96 40.87 3fl8 s TYR 154 CO 0.07 0.01 0.62 0.71 -1.11 0.00 0.00 175.55 175.85 3fl8 s TYR 155 N -0.56 3.47 -0.05 2.71 1.51 0.10 -1.16 117.35 123.38 3fl8 s TYR 155 Ca 0.06 1.03 0.06 0.00 -1.01 0.00 0.00 57.07 57.21 3fl8 s TYR 155 Cb -0.07 -2.75 -0.01 0.00 -0.11 0.00 0.00 41.96 39.02 3fl8 s TYR 155 CO 0.00 -0.01 -0.25 -1.01 -1.11 0.00 0.00 175.55 173.17 3fl8 s HIS 156 N 1.26 2.37 -0.08 2.71 3.76 0.10 -1.24 115.29 124.18 3fl8 s HIS 156 Ca 0.31 -0.66 0.05 0.00 -0.15 0.00 0.00 55.06 54.61 3fl8 s HIS 156 Cb -0.16 -1.55 -0.00 0.00 1.11 0.00 0.00 32.58 31.97 3fl8 s HIS 156 CO 0.13 -0.18 -0.22 0.08 -0.85 0.00 0.00 174.74 173.69 3fl8 s VAL 157 N -0.23 1.88 0.07 -0.90 1.01 0.41 -1.02 120.40 121.63 3fl8 s VAL 157 Ca -0.01 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.10 3fl8 s VAL 157 Cb -0.13 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 3fl8 s VAL 157 CO 0.03 0.52 -0.21 -0.31 0.00 0.00 0.00 175.10 175.13 3fl8 s TYR 158 N 0.17 1.84 0.17 5.22 2.02 -0.19 -0.13 117.35 126.45 3fl8 s TYR 158 Ca -0.12 -0.39 0.07 0.00 -0.37 0.00 0.00 57.07 56.26 3fl8 s TYR 158 Cb -0.16 -1.06 -0.04 0.00 -0.40 0.00 0.00 41.96 40.30 3fl8 s TYR 158 CO 0.06 0.15 -0.14 -1.21 -1.57 0.00 0.00 175.55 172.84 3fl8 s GLU 159 N -1.51 1.21 0.08 -0.62 2.02 -0.27 -1.35 118.70 118.26 3fl8 s GLU 159 Ca 0.07 -1.48 -0.35 0.00 0.02 0.00 0.00 54.97 53.24 3fl8 s GLU 159 Cb -0.09 -1.01 -0.14 0.00 0.10 0.00 0.00 34.13 32.98 3fl8 s GLU 159 CO 0.03 0.17 1.57 1.63 0.02 0.00 0.00 175.26 178.68 3fl8 n LYS 160 N -0.09 1.85 -1.67 1.61 4.76 -1.24 -0.72 118.16 122.65 3fl8 n LYS 160 Ca -0.10 0.67 -0.44 0.00 -2.87 0.00 0.00 58.31 55.56 3fl8 n LYS 160 Cb 0.59 -2.41 -0.04 0.00 -1.84 0.00 0.00 35.03 31.33 3fl8 n LYS 160 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 3fl8 n GLN 161 N 3.76 2.60 -2.67 1.97 -0.06 0.15 -4.70 117.38 118.43 3fl8 n GLN 161 Ca 0.19 0.95 -0.42 0.00 -2.00 0.00 0.00 57.00 55.71 3fl8 n GLN 161 Cb 0.26 -2.86 -0.03 0.00 -4.06 0.00 0.00 30.24 23.55 3fl8 n GLN 161 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 3fl8 s GLN 162 N 4.03 4.45 -0.02 3.69 -2.07 -1.26 -4.95 119.66 123.53 3fl8 s GLN 162 Ca 0.89 1.43 -0.16 0.00 -1.82 0.00 0.00 55.36 55.70 3fl8 s GLN 162 Cb -0.54 -3.52 -0.05 0.00 -1.09 0.00 0.00 33.01 27.81 3fl8 s GLN 162 CO 0.45 -0.26 0.44 -0.51 -1.32 0.00 0.00 175.29 174.09 3fl8 s LEU 163 N 1.77 4.43 0.03 2.60 1.43 -1.26 -5.06 118.68 122.61 3fl8 s LEU 163 Ca 0.50 0.95 -0.24 0.00 -1.03 0.00 0.00 54.13 54.31 3fl8 s LEU 163 Cb -0.20 -2.64 -0.05 0.00 0.03 0.00 0.00 46.19 43.33 3fl8 s LEU 163 CO 0.21 0.24 0.74 -0.69 0.23 0.00 0.00 176.35 177.08 3fl8 s VAL 164 N -0.65 4.79 0.52 -1.59 1.01 -1.26 -5.06 120.40 118.16 3fl8 s VAL 164 Ca 0.25 1.56 -0.20 0.00 0.00 0.00 0.00 61.98 63.59 3fl8 s VAL 164 Cb -0.17 -4.08 -0.07 0.00 0.00 0.00 0.00 36.38 32.06 3fl8 s VAL 164 CO 0.13 0.36 1.11 -2.84 0.00 0.00 0.00 175.10 173.86 3fl8 s PRO 165 N 0.03 3.52 0.00 2.72 0.02 -1.26 -5.34 135.00 134.70 3fl8 s PRO 165 Ca 0.38 1.56 0.07 0.00 0.02 0.00 0.00 61.00 63.03 3fl8 s PRO 165 Cb -0.20 -2.08 0.44 0.00 0.02 0.00 0.00 34.50 32.68 3fl8 s PRO 165 CO 0.22 -0.70 0.90 2.89 -0.33 0.00 0.00 177.00 179.97