#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 -0.40 1.12 1.01 0.04 -4.97 121.20 122.91 3fl8 s ILE 2 Ca 0.00 1.27 -0.17 0.00 0.00 0.00 0.00 60.65 61.75 3fl8 s ILE 2 Cb 0.00 -4.02 0.01 0.00 0.01 0.00 0.00 42.46 38.46 3fl8 s ILE 2 CO 0.00 -0.05 0.44 -0.69 0.00 0.00 0.00 174.94 174.64 3fl8 s VAL 3 N 2.68 5.08 -0.10 2.92 1.01 -1.26 -0.75 120.40 129.98 3fl8 s VAL 3 Ca 0.30 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.12 3fl8 s VAL 3 Cb -0.15 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 3fl8 s VAL 3 CO 0.09 -0.34 -0.14 -0.44 0.00 0.00 0.00 175.10 174.26 3fl8 s SER 4 N 1.80 3.99 -0.05 3.32 0.01 0.14 -0.17 113.70 122.75 3fl8 s SER 4 Ca 0.13 -0.29 -0.24 0.00 1.31 0.00 0.00 55.95 56.86 3fl8 s SER 4 Cb -0.17 -1.33 -0.04 0.00 0.21 0.00 0.00 66.02 64.70 3fl8 s SER 4 CO 0.13 0.23 0.74 -0.36 0.41 0.00 0.00 173.24 174.39 3fl8 s PHE 5 N -0.04 3.61 -0.22 2.43 0.40 -0.26 0.46 117.98 124.35 3fl8 s PHE 5 Ca -0.03 1.32 -0.02 0.00 -0.60 0.00 0.00 56.93 57.60 3fl8 s PHE 5 Cb -0.14 -2.84 0.01 0.00 0.51 0.00 0.00 43.02 40.56 3fl8 s PHE 5 CO 0.04 0.10 -0.08 1.41 0.70 0.00 0.00 175.22 177.39 3fl8 s MET 6 N 0.72 3.13 -0.03 0.44 -2.45 -0.40 -0.30 119.30 120.41 3fl8 s MET 6 Ca 0.39 -0.77 -0.11 0.00 -1.25 0.00 0.00 55.69 53.95 3fl8 s MET 6 Cb -0.18 -2.91 0.02 0.00 1.25 0.00 0.00 34.83 33.00 3fl8 s MET 6 CO 0.20 -0.26 0.24 0.54 1.05 0.00 0.00 175.02 176.79 3fl8 s VAL 7 N 1.39 0.05 -0.09 10.11 0.11 -0.05 -4.53 120.40 127.38 3fl8 s VAL 7 Ca 0.04 -0.41 0.03 0.00 -2.93 0.00 0.00 61.98 58.71 3fl8 s VAL 7 Cb -0.15 -0.49 0.01 0.00 -1.53 0.00 0.00 36.38 34.22 3fl8 s VAL 7 CO -0.06 -0.23 -0.18 0.00 -3.33 0.00 0.00 175.10 171.31 3fl8 s ALA 8 N -0.93 1.73 0.06 1.54 0.00 -1.26 -0.40 121.76 122.49 3fl8 s ALA 8 Ca -0.10 -0.72 -0.11 0.00 0.00 0.00 0.00 51.96 51.03 3fl8 s ALA 8 Cb -0.05 -0.74 0.01 0.00 0.00 0.00 0.00 23.12 22.34 3fl8 s ALA 8 CO 0.02 0.12 0.25 0.00 0.00 0.00 0.00 175.76 176.15 3fl8 s MET 9 N 0.64 0.79 0.00 0.00 0.00 -0.18 -4.58 119.30 115.97 3fl8 s MET 9 Ca -0.14 -0.65 0.00 0.00 0.00 0.00 0.00 55.69 54.90 3fl8 s MET 9 Cb -0.16 0.33 0.00 0.00 0.00 0.00 0.00 34.83 35.00 3fl8 s MET 9 CO 0.04 -0.25 0.00 -0.40 0.00 0.00 0.00 175.02 174.41 3fl8 n ASP 10 N 0.45 0.00 0.29 -1.18 5.75 -0.84 -0.53 116.55 120.48 3fl8 n ASP 10 Ca -0.18 -0.63 0.16 0.00 -0.01 0.00 0.00 54.79 54.12 3fl8 n ASP 10 Cb 0.60 0.00 0.85 0.00 -1.03 0.00 0.00 41.12 41.54 3fl8 n ASP 10 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3fl8 h GLU 11 N 0.00 0.00 -0.27 0.11 5.08 -1.25 -1.85 114.58 116.39 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 0.06 0.00 0.09 -1.00 0.00 0.00 179.01 178.16 3fl8 n ASN 12 N -3.50 3.68 -0.42 1.42 5.03 -1.26 -4.95 115.26 115.25 3fl8 n ASN 12 Ca -0.02 -2.83 -0.06 0.00 0.87 0.00 0.00 54.58 52.54 3fl8 n ASN 12 Cb 0.19 -0.48 -0.02 0.00 -1.02 0.00 0.00 39.78 38.44 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 -0.34 -0.62 -1.85 3.52 1.74 -0.70 -4.88 116.66 113.54 3fl8 n ARG 13 Ca 0.19 0.60 -0.42 0.00 -0.77 0.00 0.00 57.85 57.46 3fl8 n ARG 13 Cb 0.80 -4.36 -0.02 0.00 -1.02 0.00 0.00 32.46 27.86 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 -2.09 2.30 0.00 1.55 1.01 -1.26 -0.29 120.40 121.62 3fl8 s VAL 14 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.21 3fl8 s VAL 14 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.23 3fl8 s VAL 14 CO 0.00 0.03 0.32 2.30 0.00 0.00 0.00 175.10 177.75 3fl8 n ILE 15 N 3.12 0.00 -3.55 2.22 -5.35 -0.30 -1.99 119.36 113.51 3fl8 n ILE 15 Ca 0.11 -0.41 -0.14 0.00 -0.27 0.00 0.00 62.75 62.04 3fl8 n ILE 15 Cb 0.38 1.14 -0.06 0.00 -1.74 0.00 0.00 39.64 39.36 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 -0.18 -0.42 -0.13 3.28 0.00 -1.20 -4.78 107.32 103.90 3fl8 s GLY 16 Ca 0.00 1.72 0.02 0.00 0.00 0.00 0.00 44.72 46.45 3fl8 s GLY 16 CO 0.00 1.05 -0.17 0.54 0.00 0.00 0.00 173.10 174.52 3fl8 s LYS 17 N -1.05 2.52 0.00 2.90 3.01 0.38 -1.29 119.74 126.21 3fl8 s LYS 17 Ca -0.06 -0.66 0.00 0.00 -1.01 0.00 0.00 55.97 54.24 3fl8 s LYS 17 Cb -0.01 -2.13 0.00 0.00 -1.01 0.00 0.00 37.83 34.69 3fl8 s LYS 17 CO 0.05 -0.09 0.00 -0.40 0.51 0.00 0.00 175.35 175.43 3fl8 n ASP 18 N 4.28 0.00 -1.89 2.83 5.68 -1.26 -1.12 116.55 125.07 3fl8 n ASP 18 Ca -0.19 0.00 -0.22 0.00 -0.50 0.00 0.00 54.79 53.88 3fl8 n ASP 18 Cb 0.51 0.00 0.08 0.00 -1.14 0.00 0.00 41.12 40.57 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 2.26 5.05 -3.74 -1.12 6.94 -1.26 -4.90 115.26 118.49 3fl8 n ASN 19 Ca 0.00 -3.77 -0.13 0.00 -0.02 0.00 0.00 54.58 50.65 3fl8 n ASN 19 Cb 0.00 -0.58 -0.07 0.00 -2.36 0.00 0.00 39.78 36.77 3fl8 n ASN 19 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 3fl8 s ASN 20 N -2.89 0.54 -0.00 0.53 0.01 -0.28 -4.61 114.94 108.24 3fl8 s ASN 20 Ca 0.53 -1.36 -0.28 0.00 -0.71 0.00 0.00 52.86 51.05 3fl8 s ASN 20 Cb 0.44 0.54 -0.04 0.00 0.41 0.00 0.00 41.25 42.60 3fl8 s ASN 20 CO 0.02 -1.09 0.89 -0.76 -1.51 0.00 0.00 177.10 174.65 3fl8 s LEU 21 N -3.18 4.38 0.19 0.60 1.43 -1.26 -0.47 118.68 120.37 3fl8 s LEU 21 Ca 0.32 1.54 0.19 0.00 -1.03 0.00 0.00 54.13 55.16 3fl8 s LEU 21 Cb 0.02 -3.42 0.86 0.00 0.03 0.00 0.00 46.19 43.67 3fl8 s LEU 21 CO 0.16 -0.18 1.59 -2.65 0.23 0.00 0.00 176.35 175.50 3fl8 n PRO 22 N 3.66 0.13 -4.45 1.29 -0.02 -1.26 -4.73 135.00 129.61 3fl8 n PRO 22 Ca 0.03 0.42 -0.23 0.00 -2.02 0.00 0.00 63.50 61.71 3fl8 n PRO 22 Cb 0.51 -1.77 -0.10 0.00 -0.02 0.00 0.00 33.50 32.11 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 -3.26 2.11 -0.29 6.00 -2.14 -1.26 -5.01 118.94 115.09 3fl8 s TRP 23 Ca 0.03 -0.53 0.01 0.00 2.66 0.00 0.00 56.10 58.27 3fl8 s TRP 23 Cb 0.08 -1.09 0.08 0.00 -3.10 0.00 0.00 33.47 29.44 3fl8 s TRP 23 CO 0.30 0.48 0.02 0.50 -2.66 0.00 0.00 176.95 175.59 3fl8 s ARG 24 N -3.63 1.32 -0.56 3.25 3.52 -1.26 -5.04 118.95 116.55 3fl8 s ARG 24 Ca 0.29 -1.29 0.04 0.00 -0.13 0.00 0.00 55.73 54.64 3fl8 s ARG 24 Cb 0.00 -2.61 0.16 0.00 -1.56 0.00 0.00 34.95 30.94 3fl8 s ARG 24 CO 0.13 -0.81 0.39 -0.51 -0.81 0.00 0.00 175.30 173.68 3fl8 s LEU 25 N 1.30 3.45 0.30 -0.88 1.43 -1.26 -4.59 118.68 118.43 3fl8 s LEU 25 Ca 0.04 -3.35 0.06 0.00 -1.03 0.00 0.00 54.13 49.85 3fl8 s LEU 25 Cb -0.18 -1.19 0.79 0.00 0.03 0.00 0.00 46.19 45.64 3fl8 s LEU 25 CO -0.12 -0.15 1.71 -0.65 0.23 0.00 0.00 176.35 177.37 3fl8 h PRO 26 N 5.79 0.47 -0.57 1.29 0.11 -1.97 0.15 132.00 137.27 3fl8 h PRO 26 Ca 0.13 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.16 3fl8 h PRO 26 Cb 0.84 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.82 3fl8 h PRO 26 CO 0.58 0.31 0.13 1.03 -0.21 0.00 0.00 178.00 179.83 3fl8 h SER 27 N 0.48 0.83 -0.27 -2.05 0.87 -1.92 -1.00 113.55 110.50 3fl8 h SER 27 Ca 0.59 -0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 61.00 3fl8 h SER 27 Cb 1.13 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 3fl8 h SER 27 CO -0.50 0.82 0.16 -0.08 -0.53 0.00 0.00 176.83 176.70 3fl8 h GLU 28 N 0.85 0.36 -0.32 2.24 4.22 -1.35 -1.56 114.58 119.03 3fl8 h GLU 28 Ca 0.18 -0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.56 3fl8 h GLU 28 Cb 0.32 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3fl8 h GLU 28 CO 0.00 0.27 0.07 -0.07 -2.18 0.00 0.00 179.01 177.10 3fl8 h LEU 29 N 0.34 0.42 -1.00 1.64 3.38 -1.06 -0.47 115.31 118.55 3fl8 h LEU 29 Ca 0.10 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3fl8 h LEU 29 Cb 0.00 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3fl8 h LEU 29 CO -0.02 0.43 -0.06 -0.61 0.09 0.00 0.00 178.44 178.27 3fl8 h GLN 30 N 0.45 0.65 -0.34 1.13 5.75 -0.78 -0.13 115.11 121.85 3fl8 h GLN 30 Ca 0.11 -0.18 -0.03 0.00 -0.15 0.00 0.00 58.65 58.39 3fl8 h GLN 30 Cb 0.19 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 3fl8 h GLN 30 CO -0.00 0.72 0.09 -0.92 -2.65 0.00 0.00 178.83 176.07 3fl8 h TYR 31 N 0.61 0.57 -0.36 3.99 3.20 -0.13 -0.68 116.97 124.16 3fl8 h TYR 31 Ca 0.12 -0.06 0.07 0.00 3.14 0.00 0.00 58.73 61.99 3fl8 h TYR 31 Cb 0.48 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.52 3fl8 h TYR 31 CO 0.02 0.57 -0.05 0.28 -1.64 0.00 0.00 178.16 177.33 3fl8 h VAL 32 N 0.40 0.68 -0.32 1.81 2.07 -0.77 -0.58 116.25 119.54 3fl8 h VAL 32 Ca 0.11 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.62 3fl8 h VAL 32 Cb 0.28 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3fl8 h VAL 32 CO -0.00 0.01 0.21 0.50 0.02 0.00 0.00 177.57 178.30 3fl8 h LYS 33 N 0.04 0.43 -0.53 1.57 3.64 -0.78 -1.32 116.57 119.63 3fl8 h LYS 33 Ca 0.17 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3fl8 h LYS 33 Cb 0.26 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 3fl8 h LYS 33 CO -0.34 0.30 0.33 -0.22 -2.27 0.00 0.00 179.45 177.26 3fl8 h LYS 34 N 0.43 0.70 -0.24 1.90 3.64 -0.84 -2.95 116.57 119.21 3fl8 h LYS 34 Ca 0.12 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.27 3fl8 h LYS 34 Cb -0.02 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.64 3fl8 h LYS 34 CO -0.02 0.49 -0.55 1.15 -2.27 0.00 0.00 179.45 178.24 3fl8 h THR 35 N 0.71 1.30 -0.45 1.00 2.02 -0.79 -3.19 112.91 113.50 3fl8 h THR 35 Ca 0.19 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.60 3fl8 h THR 35 Cb -0.05 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 3fl8 h THR 35 CO -0.04 0.56 0.00 0.35 0.37 0.00 0.00 175.52 176.77 3fl8 n THR 36 N -3.98 0.59 -1.82 3.16 -2.24 -0.53 -4.94 114.28 104.53 3fl8 n THR 36 Ca -0.04 -0.62 -0.42 0.00 -2.27 0.00 0.00 64.05 60.70 3fl8 n THR 36 Cb 0.62 0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 69.17 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 -1.41 4.16 -0.06 -0.78 0.00 -1.12 -2.20 119.30 117.90 3fl8 s MET 37 Ca 0.32 2.45 0.00 0.00 0.00 0.00 0.00 55.69 58.46 3fl8 s MET 37 Cb 0.17 -3.89 0.00 0.00 0.00 0.00 0.00 34.83 31.11 3fl8 s MET 37 CO 0.22 -0.86 0.00 0.41 0.00 0.00 0.00 175.02 174.79 3fl8 n GLY 38 N 4.27 0.44 3.10 2.11 0.00 -1.25 -5.04 105.19 108.82 3fl8 n GLY 38 Ca 0.18 -0.94 -0.16 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.02 0.89 0.40 1.61 3.76 -0.93 -5.02 115.29 113.99 3fl8 s HIS 39 Ca 0.00 -0.46 -0.26 0.00 -0.15 0.00 0.00 55.06 54.19 3fl8 s HIS 39 Cb 0.00 -0.52 -0.09 0.00 1.11 0.00 0.00 32.58 33.08 3fl8 s HIS 39 CO 0.00 -0.02 1.36 -2.14 -0.85 0.00 0.00 174.74 173.09 3fl8 s PRO 40 N -1.53 3.96 -0.23 8.40 0.02 -1.26 -4.33 135.00 140.03 3fl8 s PRO 40 Ca -0.06 2.29 -0.08 0.00 0.02 0.00 0.00 61.00 63.17 3fl8 s PRO 40 Cb -0.09 -2.80 -0.04 0.00 0.02 0.00 0.00 34.50 31.59 3fl8 s PRO 40 CO 0.01 -0.55 0.09 -0.51 -0.33 0.00 0.00 177.00 175.71 3fl8 s LEU 41 N -2.39 3.65 -0.25 -5.54 1.43 0.02 -1.67 118.68 113.94 3fl8 s LEU 41 Ca 0.56 -0.08 -0.07 0.00 -1.03 0.00 0.00 54.13 53.51 3fl8 s LEU 41 Cb -0.41 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 3fl8 s LEU 41 CO 0.53 0.03 0.06 -0.63 0.23 0.00 0.00 176.35 176.58 3fl8 s ILE 42 N 1.24 4.26 0.03 -0.59 -1.09 0.62 -0.85 121.20 124.81 3fl8 s ILE 42 Ca 0.05 -0.19 -0.03 0.00 -2.23 0.00 0.00 60.65 58.25 3fl8 s ILE 42 Cb -0.14 -2.99 -0.02 0.00 -1.58 0.00 0.00 42.46 37.73 3fl8 s ILE 42 CO 0.04 0.34 0.04 0.00 -1.23 0.00 0.00 174.94 174.14 3fl8 s MET 43 N 1.61 0.46 0.86 2.79 0.23 -0.57 0.11 119.30 124.80 3fl8 s MET 43 Ca 0.06 -0.68 -0.11 0.00 -1.03 0.00 0.00 55.69 53.93 3fl8 s MET 43 Cb -0.15 0.18 0.11 0.00 -1.53 0.00 0.00 34.83 33.43 3fl8 s MET 43 CO 0.03 -0.10 1.09 0.20 -2.03 0.00 0.00 175.02 174.22 3fl8 s GLY 44 N -1.81 1.63 0.08 3.16 0.00 -1.02 -0.36 107.32 109.00 3fl8 s GLY 44 Ca -0.10 0.01 -0.25 0.00 0.00 0.00 0.00 44.72 44.39 3fl8 s GLY 44 CO -0.03 0.46 1.69 -0.09 0.00 0.00 0.00 173.10 175.14 3fl8 h ARG 45 N -1.43 -0.14 -0.54 2.90 2.43 -1.89 -1.16 114.38 114.54 3fl8 h ARG 45 Ca -0.48 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 58.80 3fl8 h ARG 45 Cb 1.27 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.78 3fl8 h ARG 45 CO 0.54 -0.07 0.10 0.87 -1.51 0.00 0.00 179.97 179.90 3fl8 h LYS 46 N -0.18 0.23 -0.72 0.20 1.57 -1.93 0.41 116.57 116.15 3fl8 h LYS 46 Ca -0.02 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3fl8 h LYS 46 Cb 0.14 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 3fl8 h LYS 46 CO 0.03 0.15 0.44 -0.97 -0.57 0.00 0.00 179.45 178.52 3fl8 h ASN 47 N 0.23 0.86 -0.48 0.86 -1.24 -1.82 0.25 115.58 114.24 3fl8 h ASN 47 Ca 0.28 -0.06 -0.11 0.00 0.71 0.00 0.00 56.30 57.12 3fl8 h ASN 47 Cb 0.39 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.21 3fl8 h ASN 47 CO -0.37 0.66 -0.10 0.22 -1.29 0.00 0.00 177.43 176.56 3fl8 h TYR 48 N 0.98 1.05 0.00 0.67 3.20 -0.26 -2.68 116.97 119.93 3fl8 h TYR 48 Ca 0.26 -0.21 -0.10 0.00 3.14 0.00 0.00 58.73 61.83 3fl8 h TYR 48 Cb -0.05 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 37.95 3fl8 h TYR 48 CO -0.01 0.99 -0.46 0.93 -1.64 0.00 0.00 178.16 177.96 3fl8 h GLU 49 N 0.85 0.00 0.00 1.82 5.08 -0.35 -2.22 114.58 119.76 3fl8 h GLU 49 Ca 0.14 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 3fl8 h GLU 49 Cb 0.64 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 3fl8 h GLU 49 CO 0.04 0.46 -0.32 0.00 -1.00 0.00 0.00 179.01 178.20 3fl8 h ALA 50 N 1.54 1.47 0.00 3.43 0.00 -0.64 -2.90 119.26 122.16 3fl8 h ALA 50 Ca -0.00 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.44 3fl8 h ALA 50 Cb 0.83 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3fl8 h ALA 50 CO 0.06 0.39 -0.98 0.82 0.00 0.00 0.00 179.25 179.54 3fl8 h ILE 51 N 0.00 1.07 0.00 0.00 2.04 -1.20 -3.48 117.51 115.94 3fl8 h ILE 51 Ca -0.00 -2.63 0.00 0.00 1.00 0.00 0.00 64.86 63.22 3fl8 h ILE 51 Cb 0.56 2.49 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 3fl8 h ILE 51 CO 0.04 0.61 0.00 0.61 0.00 0.00 0.00 178.15 179.41 3fl8 n GLY 52 N 1.34 2.21 3.13 5.37 0.00 -0.88 -4.97 105.19 111.39 3fl8 n GLY 52 Ca -0.03 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 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 0.73 0.16 1.61 1.70 -1.26 -4.99 118.95 116.90 3fl8 s ARG 53 Ca 0.00 -1.20 -0.32 0.00 -0.47 0.00 0.00 55.73 53.75 3fl8 s ARG 53 Cb 0.00 -0.14 -0.10 0.00 -0.57 0.00 0.00 34.95 34.13 3fl8 s ARG 53 CO 0.00 -0.02 1.62 -2.14 -1.08 0.00 0.00 175.30 173.67 3fl8 s PRO 54 N -3.40 4.19 -0.36 3.89 0.02 -1.26 -4.93 135.00 133.15 3fl8 s PRO 54 Ca 0.07 2.42 -0.29 0.00 0.02 0.00 0.00 61.00 63.22 3fl8 s PRO 54 Cb 0.03 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.36 3fl8 s PRO 54 CO -0.05 -0.66 1.43 -0.48 -0.33 0.00 0.00 177.00 176.92 3fl8 s LEU 55 N 1.34 3.69 0.65 -5.54 -0.00 -1.26 -4.97 118.68 112.59 3fl8 s LEU 55 Ca 0.72 1.05 -0.18 0.00 -0.00 0.00 0.00 54.13 55.72 3fl8 s LEU 55 Cb -0.45 -3.54 -0.02 0.00 -0.00 0.00 0.00 46.19 42.19 3fl8 s LEU 55 CO 0.32 -1.34 1.15 -2.65 -0.00 0.00 0.00 176.35 173.82 3fl8 n PRO 56 N 7.85 0.92 -0.71 1.48 -0.02 -1.26 -3.53 135.00 139.73 3fl8 n PRO 56 Ca 0.17 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3fl8 n PRO 56 Cb 0.47 -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 1.05 0.79 3.02 -1.23 0.00 -1.26 -5.03 105.19 102.54 3fl8 n GLY 57 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.29 0.42 -0.27 1.61 3.00 -1.23 -3.78 118.95 118.41 3fl8 s ARG 58 Ca 0.00 -0.75 -0.29 0.00 0.00 0.00 0.00 55.73 54.70 3fl8 s ARG 58 Cb 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 34.95 34.92 3fl8 s ARG 58 CO 0.00 -0.03 1.86 1.03 0.00 0.00 0.00 175.30 178.16 3fl8 s ARG 59 N -1.87 3.42 -0.34 3.54 0.52 -1.26 -4.91 118.95 118.06 3fl8 s ARG 59 Ca -0.11 1.65 -0.20 0.00 -0.52 0.00 0.00 55.73 56.56 3fl8 s ARG 59 Cb -0.07 -4.20 -0.00 0.00 0.52 0.00 0.00 34.95 31.20 3fl8 s ARG 59 CO -0.02 -1.75 0.63 -0.80 0.02 0.00 0.00 175.30 173.38 3fl8 s ASN 60 N 6.08 6.45 -0.24 0.23 0.02 -1.26 -0.80 114.94 125.43 3fl8 s ASN 60 Ca 0.83 0.26 -0.04 0.00 -1.02 0.00 0.00 52.86 52.89 3fl8 s ASN 60 Cb -0.26 -2.33 0.00 0.00 0.02 0.00 0.00 41.25 38.68 3fl8 s ASN 60 CO 0.34 -0.55 -0.03 -0.63 0.02 0.00 0.00 177.10 176.25 3fl8 s ILE 61 N 2.66 3.36 -0.20 0.60 1.01 -0.03 -1.29 121.20 127.32 3fl8 s ILE 61 Ca 0.25 -0.62 -0.09 0.00 0.00 0.00 0.00 60.65 60.19 3fl8 s ILE 61 Cb -0.15 -2.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.69 3fl8 s ILE 61 CO 0.14 0.34 0.10 -0.63 0.00 0.00 0.00 174.94 174.88 3fl8 s ILE 62 N 1.45 5.14 -0.29 2.92 1.01 0.01 -1.51 121.20 129.93 3fl8 s ILE 62 Ca 0.04 0.09 -0.10 0.00 0.00 0.00 0.00 60.65 60.68 3fl8 s ILE 62 Cb -0.15 -3.34 -0.03 0.00 0.01 0.00 0.00 42.46 38.95 3fl8 s ILE 62 CO -0.03 0.44 0.17 -0.69 0.00 0.00 0.00 174.94 174.83 3fl8 s VAL 63 N 0.42 4.93 -0.08 2.92 1.01 0.52 -0.92 120.40 129.19 3fl8 s VAL 63 Ca 0.06 -0.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.75 3fl8 s VAL 63 Cb -0.12 -3.42 0.03 0.00 0.00 0.00 0.00 36.38 32.88 3fl8 s VAL 63 CO -0.01 0.17 0.37 0.28 0.00 0.00 0.00 175.10 175.91 3fl8 s THR 64 N 1.69 0.03 0.21 3.92 -1.32 -0.42 -2.86 115.64 116.88 3fl8 s THR 64 Ca 0.06 -0.23 0.30 0.00 -1.21 0.00 0.00 61.69 60.61 3fl8 s THR 64 Cb -0.16 -0.61 0.32 0.00 -1.51 0.00 0.00 72.50 70.53 3fl8 s THR 64 CO 0.08 -0.13 1.97 -0.09 -2.21 0.00 0.00 174.62 174.25 3fl8 h ARG 65 N 4.53 0.00 -6.39 7.08 2.43 -1.85 -3.35 114.38 116.83 3fl8 h ARG 65 Ca -0.28 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.33 3fl8 h ARG 65 Cb 1.18 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.68 3fl8 h ARG 65 CO 0.34 0.10 1.16 1.21 -1.51 0.00 0.00 179.97 181.27 3fl8 s ASN 66 N -5.92 6.08 0.47 -3.80 2.47 -1.26 -4.88 114.94 108.11 3fl8 s ASN 66 Ca -0.00 0.81 0.32 0.00 0.42 0.00 0.00 52.86 54.41 3fl8 s ASN 66 Cb 0.10 -2.54 1.47 0.00 -1.45 0.00 0.00 41.25 38.84 3fl8 s ASN 66 CO 0.57 -1.64 1.96 -0.33 -3.72 0.00 0.00 177.10 173.94 3fl8 h GLU 67 N 11.73 0.00 0.00 0.43 4.39 -2.00 -2.57 114.58 126.56 3fl8 h GLU 67 Ca -0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 3fl8 h GLU 67 Cb 1.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 3fl8 h GLU 67 CO 1.10 0.00 -0.93 0.41 -1.16 0.00 0.00 179.01 178.43 3fl8 n GLY 68 N -0.37 -1.28 3.70 -3.84 0.00 -1.26 -4.94 105.19 97.20 3fl8 n GLY 68 Ca -0.00 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 3fl8 n GLY 68 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3fl8 n TYR 69 N -2.05 2.62 -3.89 1.61 9.36 -0.97 -5.00 117.16 118.83 3fl8 n TYR 69 Ca 0.02 -0.01 -0.11 0.00 3.32 0.00 0.00 57.90 61.12 3fl8 n TYR 69 Cb 0.45 -2.68 -0.11 0.00 -0.63 0.00 0.00 39.34 36.37 3fl8 n TYR 69 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 3fl8 s HIS 70 N 1.89 0.07 -0.18 2.98 3.76 -1.26 -4.92 115.29 117.63 3fl8 s HIS 70 Ca 0.79 -0.16 -0.10 0.00 -0.15 0.00 0.00 55.06 55.44 3fl8 s HIS 70 Cb -0.53 -0.07 0.06 0.00 1.11 0.00 0.00 32.58 33.16 3fl8 s HIS 70 CO 0.36 -0.23 0.44 0.54 -0.85 0.00 0.00 174.74 175.00 3fl8 s VAL 71 N -1.19 -0.02 0.11 -0.90 0.11 -1.26 -5.13 120.40 112.11 3fl8 s VAL 71 Ca -0.13 0.08 -0.36 0.00 -2.93 0.00 0.00 61.98 58.64 3fl8 s VAL 71 Cb -0.07 -0.65 -0.16 0.00 -1.53 0.00 0.00 36.38 33.97 3fl8 s VAL 71 CO 0.01 0.03 1.31 1.21 -3.33 0.00 0.00 175.10 174.32 3fl8 n GLU 72 N 4.15 1.18 -0.99 1.54 4.07 -1.26 -1.80 120.64 127.54 3fl8 n GLU 72 Ca -0.22 0.42 0.00 0.00 -0.06 0.00 0.00 57.16 57.30 3fl8 n GLU 72 Cb 0.56 -2.04 0.00 0.00 -0.06 0.00 0.00 31.44 29.90 3fl8 n GLU 72 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3fl8 n GLY 73 N 2.42 0.79 3.26 8.31 0.00 -1.26 -4.88 105.19 113.83 3fl8 n GLY 73 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.72 3.54 -0.08 0.00 2.02 -0.41 -4.64 118.70 117.40 3fl8 s GLU 75 Ca 0.05 -0.29 0.04 0.00 0.02 0.00 0.00 54.97 54.79 3fl8 s GLU 75 Cb -0.10 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.35 3fl8 s GLU 75 CO 0.03 0.34 -0.19 0.08 0.02 0.00 0.00 175.26 175.54 3fl8 s VAL 76 N -1.96 1.69 0.18 2.63 1.01 -1.26 -0.81 120.40 121.88 3fl8 s VAL 76 Ca 0.39 -0.81 0.11 0.00 0.00 0.00 0.00 61.98 61.67 3fl8 s VAL 76 Cb -0.11 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3fl8 s VAL 76 CO 0.30 0.48 -0.23 0.00 0.00 0.00 0.00 175.10 175.64 3fl8 s ALA 77 N 0.39 2.55 -0.07 5.51 0.00 -0.10 -4.94 121.76 125.11 3fl8 s ALA 77 Ca -0.15 -1.59 0.01 0.00 0.00 0.00 0.00 51.96 50.22 3fl8 s ALA 77 Cb -0.16 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.59 3fl8 s ALA 77 CO 0.06 0.45 0.81 0.72 0.00 0.00 0.00 175.76 177.81 3fl8 n HIS 78 N 0.36 0.02 -3.57 0.00 8.25 -1.26 -1.30 115.22 117.72 3fl8 n HIS 78 Ca -0.13 -0.29 -0.07 0.00 -0.26 0.00 0.00 57.72 56.97 3fl8 n HIS 78 Cb 0.55 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.62 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 -0.60 -0.30 0.18 0.41 1.04 -1.26 -4.58 113.70 108.59 3fl8 s SER 79 Ca 0.01 -0.08 -0.14 0.00 0.48 0.00 0.00 55.95 56.22 3fl8 s SER 79 Cb 0.01 0.37 0.16 0.00 0.10 0.00 0.00 66.02 66.66 3fl8 s SER 79 CO 0.01 -0.63 1.73 0.58 0.98 0.00 0.00 173.24 175.91 3fl8 h VAL 80 N 2.00 0.78 -0.41 5.02 2.07 -1.96 -1.57 116.25 122.18 3fl8 h VAL 80 Ca -0.22 -0.09 0.08 0.00 0.82 0.00 0.00 66.70 67.29 3fl8 h VAL 80 Cb 1.23 0.49 -0.08 0.00 -1.52 0.00 0.00 31.29 31.41 3fl8 h VAL 80 CO 0.29 0.05 -0.12 -0.08 0.02 0.00 0.00 177.57 177.73 3fl8 h GLU 81 N 0.27 -0.02 -0.51 1.57 4.81 -1.99 0.36 114.58 119.06 3fl8 h GLU 81 Ca 0.23 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.40 3fl8 h GLU 81 Cb 0.28 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 3fl8 h GLU 81 CO -0.28 -0.01 0.08 0.93 -0.73 0.00 0.00 179.01 179.00 3fl8 h GLU 82 N -0.02 0.80 -0.11 1.92 5.08 -1.85 -0.35 114.58 120.05 3fl8 h GLU 82 Ca 0.20 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3fl8 h GLU 82 Cb 0.32 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3fl8 h GLU 82 CO -0.43 0.76 0.06 0.28 -1.00 0.00 0.00 179.01 178.68 3fl8 h VAL 83 N 0.76 1.08 -0.41 3.13 2.07 -0.22 0.43 116.25 123.09 3fl8 h VAL 83 Ca 0.16 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 3fl8 h VAL 83 Cb 0.35 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3fl8 h VAL 83 CO 0.01 0.07 0.08 -0.26 0.02 0.00 0.00 177.57 177.49 3fl8 h PHE 84 N 0.10 0.63 0.20 1.57 0.04 -0.60 0.24 116.94 119.13 3fl8 h PHE 84 Ca 0.04 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 3fl8 h PHE 84 Cb 0.06 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.02 3fl8 h PHE 84 CO -0.05 0.56 -0.10 1.49 -0.60 0.00 0.00 178.31 179.61 3fl8 h GLU 85 N 0.60 -0.26 -0.77 1.51 4.57 -0.85 -1.70 114.58 117.68 3fl8 h GLU 85 Ca 0.14 0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.41 3fl8 h GLU 85 Cb 0.26 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.86 3fl8 h GLU 85 CO -0.00 -0.10 0.50 -0.07 -1.18 0.00 0.00 179.01 178.16 3fl8 h LEU 86 N -0.37 0.69 -3.62 1.64 3.38 -0.41 -2.11 115.31 114.50 3fl8 h LEU 86 Ca -0.03 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 3fl8 h LEU 86 Cb 0.29 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.82 3fl8 h LEU 86 CO 0.05 0.43 0.15 0.00 0.09 0.00 0.00 178.44 179.15 3fl8 n LYS 88 N -0.03 -0.07 -0.13 0.00 4.81 -0.65 -1.18 118.16 120.91 3fl8 n LYS 88 Ca 0.35 0.99 0.10 0.00 -0.87 0.00 0.00 58.31 58.87 3fl8 n LYS 88 Cb 1.26 -1.47 0.16 0.00 0.02 0.00 0.00 35.03 35.01 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 -5.02 3.09 -4.76 3.14 3.02 -1.26 -4.99 115.26 108.47 3fl8 n ASN 89 Ca 0.10 -1.90 -0.39 0.00 -0.03 0.00 0.00 54.58 52.35 3fl8 n ASN 89 Cb 0.31 -0.18 -0.04 0.00 -0.61 0.00 0.00 39.78 39.27 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 -1.39 4.46 0.06 3.52 0.41 -0.33 -4.96 118.70 120.48 3fl8 s GLU 90 Ca 0.31 1.80 -0.18 0.00 -0.41 0.00 0.00 54.97 56.48 3fl8 s GLU 90 Cb 0.19 -3.01 -0.12 0.00 -1.78 0.00 0.00 34.13 29.42 3fl8 s GLU 90 CO 0.26 0.05 1.39 1.05 -0.49 0.00 0.00 175.26 177.53 3fl8 h GLU 91 N 3.41 0.47 -2.60 1.61 4.11 -1.94 -3.41 114.58 116.23 3fl8 h GLU 91 Ca -0.47 -0.23 -0.10 0.00 0.07 0.00 0.00 59.36 58.62 3fl8 h GLU 91 Cb 1.22 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.22 3fl8 h GLU 91 CO 0.65 0.79 -0.20 -2.00 0.07 0.00 0.00 179.01 178.33 3fl8 s GLU 92 N -4.42 0.51 0.19 1.06 2.12 -1.26 -0.78 118.70 116.12 3fl8 s GLU 92 Ca -0.14 0.70 0.10 0.00 0.36 0.00 0.00 54.97 56.00 3fl8 s GLU 92 Cb 0.07 0.19 -0.04 0.00 0.26 0.00 0.00 34.13 34.60 3fl8 s GLU 92 CO 0.77 -0.09 -0.21 0.96 -0.54 0.00 0.00 175.26 176.16 3fl8 s ILE 93 N 0.60 2.10 -0.28 -3.70 -4.36 0.07 -4.13 121.20 111.50 3fl8 s ILE 93 Ca -0.03 -2.02 0.02 0.00 -0.26 0.00 0.00 60.65 58.35 3fl8 s ILE 93 Cb -0.05 -2.01 0.06 0.00 1.25 0.00 0.00 42.46 41.72 3fl8 s ILE 93 CO -0.04 -0.25 -0.06 -0.36 0.24 0.00 0.00 174.94 174.47 3fl8 s PHE 94 N -1.97 3.30 -0.29 1.37 0.08 -0.67 -0.69 117.98 119.11 3fl8 s PHE 94 Ca 0.19 -2.24 -0.29 0.00 0.12 0.00 0.00 56.93 54.72 3fl8 s PHE 94 Cb -0.06 -2.06 -0.01 0.00 -0.57 0.00 0.00 43.02 40.32 3fl8 s PHE 94 CO 0.09 -0.86 1.43 0.42 -0.10 0.00 0.00 175.22 176.19 3fl8 s ILE 95 N 1.13 3.95 -2.40 0.64 -1.09 0.17 -0.28 121.20 123.33 3fl8 s ILE 95 Ca -0.07 1.06 0.24 0.00 -2.23 0.00 0.00 60.65 59.66 3fl8 s ILE 95 Cb -0.20 -4.01 0.19 0.00 -1.58 0.00 0.00 42.46 36.86 3fl8 s ILE 95 CO -0.04 -0.46 1.32 0.33 -1.23 0.00 0.00 174.94 174.86 3fl8 n PHE 96 N 8.12 0.00 0.00 3.97 7.35 0.31 -1.27 117.46 135.93 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 -0.02 0.00 0.00 0.35 0.00 0.00 39.48 40.28 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 1.35 -0.72 0.17 7.13 0.00 -1.24 -4.93 105.19 106.94 3fl8 n GLY 97 Ca 0.13 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 0.07 0.29 -0.02 0.00 -1.26 -2.45 105.19 101.83 3fl8 n GLY 98 Ca 0.00 -1.02 0.08 0.00 0.00 0.00 0.00 46.02 45.08 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 0.95 -0.39 4.61 0.00 -1.98 -0.99 119.26 121.47 3fl8 h ALA 99 Ca 0.00 0.24 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 3fl8 h ALA 99 Cb 0.00 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3fl8 h ALA 99 CO 0.00 -0.44 -0.01 1.96 0.00 0.00 0.00 179.25 180.76 3fl8 h GLN 100 N 0.13 0.62 -0.47 0.00 4.20 -1.92 -1.61 115.11 116.07 3fl8 h GLN 100 Ca 0.46 -0.15 -0.12 0.00 0.06 0.00 0.00 58.65 58.90 3fl8 h GLN 100 Cb 0.86 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 3fl8 h GLN 100 CO -0.68 0.65 -0.18 0.82 -0.67 0.00 0.00 178.83 178.78 3fl8 h ILE 101 N 0.59 1.27 -0.63 2.54 1.08 -1.51 -1.66 117.51 119.19 3fl8 h ILE 101 Ca 0.12 -1.32 -0.00 0.00 -0.39 0.00 0.00 64.86 63.27 3fl8 h ILE 101 Cb 0.39 1.10 -0.03 0.00 -3.07 0.00 0.00 36.82 35.21 3fl8 h ILE 101 CO 0.02 0.45 0.39 1.88 -0.69 0.00 0.00 178.15 180.20 3fl8 h TYR 102 N 0.80 0.81 -0.86 1.37 0.05 -0.66 -2.63 116.97 115.84 3fl8 h TYR 102 Ca 0.11 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.92 3fl8 h TYR 102 Cb 0.73 -0.27 -0.05 0.00 1.01 0.00 0.00 36.73 38.15 3fl8 h TYR 102 CO 0.04 0.54 0.56 -0.44 -1.05 0.00 0.00 178.16 177.82 3fl8 h ASP 103 N 0.85 0.95 -0.40 3.88 3.32 -0.93 -1.38 116.42 122.71 3fl8 h ASP 103 Ca 0.23 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 3fl8 h ASP 103 Cb -0.05 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 3fl8 h ASP 103 CO -0.04 0.66 0.21 -0.07 -1.72 0.00 0.00 179.24 178.28 3fl8 h LEU 104 N 1.11 0.53 -1.59 1.55 3.38 -1.08 -3.04 115.31 116.18 3fl8 h LEU 104 Ca 0.34 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3fl8 h LEU 104 Cb -0.04 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3fl8 h LEU 104 CO -0.10 0.46 -0.14 0.49 0.09 0.00 0.00 178.44 179.24 3fl8 n PHE 105 N -4.40 0.00 -0.33 1.13 3.72 -0.83 -4.48 117.46 112.27 3fl8 n PHE 105 Ca 0.03 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.54 3fl8 n PHE 105 Cb 0.12 -0.00 0.29 0.00 -0.94 0.00 0.00 39.48 38.94 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 3.88 0.69 -0.45 4.37 5.85 -1.15 -0.34 115.31 128.14 3fl8 h LEU 106 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3fl8 h LEU 106 Cb 0.89 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.90 3fl8 h LEU 106 CO 0.00 0.25 0.00 -2.65 -0.34 0.00 0.00 178.44 175.70 3fl8 n PRO 107 N -4.81 0.09 0.00 5.25 -0.02 -1.26 -3.10 135.00 131.15 3fl8 n PRO 107 Ca 0.21 0.39 0.02 0.00 -2.02 0.00 0.00 63.50 62.10 3fl8 n PRO 107 Cb 0.53 -1.70 -0.00 0.00 -0.02 0.00 0.00 33.50 32.30 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 -1.88 0.00 -2.09 6.00 4.01 -0.19 -5.05 117.16 117.96 3fl8 n TYR 108 Ca 0.02 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.35 3fl8 n TYR 108 Cb 0.16 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.16 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 -0.79 2.84 -0.01 -0.72 0.11 -0.91 -4.55 120.40 116.36 3fl8 s VAL 109 Ca 0.02 0.72 0.05 0.00 -2.93 0.00 0.00 61.98 59.84 3fl8 s VAL 109 Cb 0.02 -3.46 -0.07 0.00 -1.53 0.00 0.00 36.38 31.34 3fl8 s VAL 109 CO 0.08 0.12 0.09 0.47 -3.33 0.00 0.00 175.10 172.54 3fl8 n ASP 110 N 2.13 3.86 -3.75 3.54 8.00 0.77 -4.98 116.55 126.13 3fl8 n ASP 110 Ca 0.05 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.42 3fl8 n ASP 110 Cb 0.41 1.11 -0.11 0.00 -0.02 0.00 0.00 41.12 42.52 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 -2.30 0.42 -0.17 -1.24 2.20 -1.08 -3.69 119.74 113.87 3fl8 s LYS 111 Ca -0.02 0.51 0.01 0.00 -0.36 0.00 0.00 55.97 56.11 3fl8 s LYS 111 Cb 0.03 0.19 0.01 0.00 -1.51 0.00 0.00 37.83 36.55 3fl8 s LYS 111 CO 0.20 -0.06 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.45 3fl8 s LEU 112 N 0.25 2.26 -0.46 5.43 1.43 -0.14 -1.10 118.68 126.34 3fl8 s LEU 112 Ca -0.00 -0.59 -0.06 0.00 -1.03 0.00 0.00 54.13 52.45 3fl8 s LEU 112 Cb -0.03 -1.51 0.12 0.00 0.03 0.00 0.00 46.19 44.80 3fl8 s LEU 112 CO -0.00 0.03 0.30 -0.31 0.23 0.00 0.00 176.35 176.60 3fl8 s TYR 113 N 1.14 3.50 -0.19 0.29 1.51 0.59 -0.62 117.35 123.58 3fl8 s TYR 113 Ca 0.01 -2.16 -0.00 0.00 -1.01 0.00 0.00 57.07 53.91 3fl8 s TYR 113 Cb -0.14 -3.38 0.01 0.00 -0.11 0.00 0.00 41.96 38.35 3fl8 s TYR 113 CO -0.08 -0.98 -0.17 0.42 -1.11 0.00 0.00 175.55 173.64 3fl8 s ILE 114 N 1.14 2.35 -0.22 2.71 1.01 -0.23 -0.87 121.20 127.09 3fl8 s ILE 114 Ca 0.08 -0.84 -0.17 0.00 0.00 0.00 0.00 60.65 59.72 3fl8 s ILE 114 Cb -0.24 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 3fl8 s ILE 114 CO -0.03 0.51 0.45 -0.89 0.00 0.00 0.00 174.94 174.99 3fl8 s THR 115 N 1.32 5.15 -0.32 2.92 2.01 0.47 -0.95 115.64 126.24 3fl8 s THR 115 Ca 0.05 0.78 -0.08 0.00 0.31 0.00 0.00 61.69 62.75 3fl8 s THR 115 Cb -0.13 -3.77 0.01 0.00 0.01 0.00 0.00 72.50 68.62 3fl8 s THR 115 CO -0.11 0.19 0.12 -0.54 -0.69 0.00 0.00 174.62 173.59 3fl8 s LYS 116 N 1.67 3.02 -0.24 4.92 1.02 -0.47 -1.01 119.74 128.66 3fl8 s LYS 116 Ca 0.20 -0.91 -0.17 0.00 0.02 0.00 0.00 55.97 55.11 3fl8 s LYS 116 Cb -0.15 -3.48 -0.03 0.00 -0.52 0.00 0.00 37.83 33.65 3fl8 s LYS 116 CO 0.09 -0.51 0.44 0.42 -0.92 0.00 0.00 175.35 174.87 3fl8 s ILE 117 N 1.51 5.14 -1.55 2.17 1.01 0.31 -1.67 121.20 128.13 3fl8 s ILE 117 Ca 0.02 0.75 -0.11 0.00 0.00 0.00 0.00 60.65 61.32 3fl8 s ILE 117 Cb -0.18 -3.76 -0.07 0.00 0.01 0.00 0.00 42.46 38.46 3fl8 s ILE 117 CO 0.04 0.17 2.78 1.41 0.00 0.00 0.00 174.94 179.34 3fl8 n HIS 118 N 5.04 2.53 -3.52 3.97 8.25 0.10 -2.77 115.22 128.83 3fl8 n HIS 118 Ca -0.07 -2.99 -0.11 0.00 -0.26 0.00 0.00 57.72 54.29 3fl8 n HIS 118 Cb 0.50 -2.45 -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 2.46 -0.44 -0.35 4.41 5.04 -1.26 -4.71 115.29 120.43 3fl8 s HIS 119 Ca 0.64 0.18 -0.03 0.00 -1.54 0.00 0.00 55.06 54.30 3fl8 s HIS 119 Cb 0.17 0.56 0.07 0.00 0.04 0.00 0.00 32.58 33.42 3fl8 s HIS 119 CO -0.06 -0.91 0.11 0.00 -2.34 0.00 0.00 174.74 171.54 3fl8 s ALA 120 N -3.79 3.01 0.63 1.58 0.00 -1.26 -2.19 121.76 119.74 3fl8 s ALA 120 Ca 0.03 -2.09 0.06 0.00 0.00 0.00 0.00 51.96 49.96 3fl8 s ALA 120 Cb -0.02 -2.21 0.10 0.00 0.00 0.00 0.00 23.12 21.00 3fl8 s ALA 120 CO -0.09 -1.51 0.87 -0.06 0.00 0.00 0.00 175.76 174.96 3fl8 s PHE 121 N 1.24 1.45 -0.38 0.00 0.40 -1.26 -5.07 117.98 114.36 3fl8 s PHE 121 Ca 0.01 -0.57 -0.16 0.00 -0.60 0.00 0.00 56.93 55.61 3fl8 s PHE 121 Cb -0.21 -2.49 0.00 0.00 0.51 0.00 0.00 43.02 40.83 3fl8 s PHE 121 CO -0.02 -1.36 0.38 -1.83 0.70 0.00 0.00 175.22 173.09 3fl8 s GLU 122 N -4.84 3.34 0.16 0.44 1.03 -1.26 -5.04 118.70 112.53 3fl8 s GLU 122 Ca 0.64 -0.60 0.02 0.00 0.03 0.00 0.00 54.97 55.05 3fl8 s GLU 122 Cb -0.05 -3.88 -0.05 0.00 -0.80 0.00 0.00 34.13 29.35 3fl8 s GLU 122 CO 0.41 -0.66 -0.02 0.20 -1.33 0.00 0.00 175.26 173.86 3fl8 s GLY 123 N 1.76 1.15 0.00 -3.83 0.00 -1.26 -4.55 107.32 100.59 3fl8 s GLY 123 Ca 0.11 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.28 3fl8 s GLY 123 CO 0.12 -1.53 0.25 2.09 0.00 0.00 0.00 173.10 174.03 3fl8 n ASP 124 N -0.21 0.50 -3.95 1.64 5.68 -0.41 -4.96 116.55 114.83 3fl8 n ASP 124 Ca -0.08 -0.82 -0.12 0.00 -0.50 0.00 0.00 54.79 53.27 3fl8 n ASP 124 Cb 0.63 0.19 -0.13 0.00 -1.14 0.00 0.00 41.12 40.66 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 -0.19 0.20 0.09 2.12 -1.32 -1.18 -5.01 115.64 110.35 3fl8 s THR 125 Ca 0.00 -0.46 0.05 0.00 -1.21 0.00 0.00 61.69 60.07 3fl8 s THR 125 Cb 0.00 -0.24 -0.03 0.00 -1.51 0.00 0.00 72.50 70.71 3fl8 s THR 125 CO 0.00 -0.17 -0.12 -0.36 -2.21 0.00 0.00 174.62 171.76 3fl8 s PHE 126 N -0.63 1.15 -0.22 9.09 0.40 -1.26 -1.14 117.98 125.37 3fl8 s PHE 126 Ca -0.05 -0.55 -0.29 0.00 -0.60 0.00 0.00 56.93 55.44 3fl8 s PHE 126 Cb -0.05 -0.63 0.00 0.00 0.51 0.00 0.00 43.02 42.86 3fl8 s PHE 126 CO -0.00 0.04 1.10 0.12 0.70 0.00 0.00 175.22 177.18 3fl8 s PHE 127 N -1.83 3.21 0.54 0.36 5.36 0.61 -4.65 117.98 121.58 3fl8 s PHE 127 Ca 0.02 1.34 -0.20 0.00 -0.96 0.00 0.00 56.93 57.13 3fl8 s PHE 127 Cb -0.07 -3.34 -0.07 0.00 -0.34 0.00 0.00 43.02 39.21 3fl8 s PHE 127 CO 0.02 -0.80 1.00 -2.30 -1.46 0.00 0.00 175.22 171.68 3fl8 n PRO 128 N 6.41 1.11 -1.64 10.12 -0.02 -1.26 -4.89 135.00 144.83 3fl8 n PRO 128 Ca 0.12 0.42 -0.39 0.00 -2.02 0.00 0.00 63.50 61.63 3fl8 n PRO 128 Cb 0.46 -2.16 0.04 0.00 -0.02 0.00 0.00 33.50 31.81 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 -0.64 1.18 -3.86 -0.52 -0.58 -1.26 -5.03 120.64 109.93 3fl8 n GLU 129 Ca 0.12 0.44 -0.12 0.00 -0.42 0.00 0.00 57.16 57.18 3fl8 n GLU 129 Cb 0.45 -2.21 -0.14 0.00 -0.57 0.00 0.00 31.44 28.97 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 -2.57 0.03 -0.67 3.49 -1.94 -1.26 -5.10 119.30 111.29 3fl8 s MET 130 Ca 0.71 0.03 -0.27 0.00 -1.71 0.00 0.00 55.69 54.45 3fl8 s MET 130 Cb -0.45 0.02 0.01 0.00 2.01 0.00 0.00 34.83 36.41 3fl8 s MET 130 CO 0.50 -0.00 1.49 0.34 -0.01 0.00 0.00 175.02 177.33 3fl8 s ASP 131 N -0.00 5.88 0.00 3.03 2.15 -1.26 -4.86 116.67 121.61 3fl8 s ASP 131 Ca -0.00 -0.06 0.31 0.00 0.43 0.00 0.00 52.55 53.22 3fl8 s ASP 131 Cb -0.00 -2.55 1.69 0.00 -0.30 0.00 0.00 42.92 41.76 3fl8 s ASP 131 CO 0.00 -1.98 2.12 0.23 -0.17 0.00 0.00 175.17 175.37 3fl8 n MET 132 N 9.18 0.80 0.13 4.34 2.81 -1.26 -3.05 117.12 130.08 3fl8 n MET 132 Ca 0.10 -0.05 0.12 0.00 -1.81 0.00 0.00 57.70 56.06 3fl8 n MET 132 Cb 0.50 -1.50 0.49 0.00 -0.71 0.00 0.00 33.22 32.00 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 -1.06 0.78 1.38 2.03 -2.24 -1.26 -1.51 114.28 112.40 3fl8 n THR 133 Ca 0.20 0.14 0.14 0.00 -2.27 0.00 0.00 64.05 62.25 3fl8 n THR 133 Cb 0.18 -1.07 0.57 0.00 -2.10 0.00 0.00 70.33 67.91 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 -2.29 0.56 -4.43 3.42 5.03 -1.17 -4.92 115.26 111.46 3fl8 n ASN 134 Ca 0.03 -0.62 -0.29 0.00 0.87 0.00 0.00 54.58 54.56 3fl8 n ASN 134 Cb 0.27 -0.04 -0.12 0.00 -1.02 0.00 0.00 39.78 38.86 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 -2.48 2.42 -0.08 3.10 0.52 -0.57 -0.64 118.94 121.21 3fl8 s TRP 135 Ca 0.28 -0.33 0.02 0.00 0.02 0.00 0.00 56.10 56.10 3fl8 s TRP 135 Cb 0.20 -1.31 0.01 0.00 -1.15 0.00 0.00 33.47 31.22 3fl8 s TRP 135 CO 0.48 0.34 -0.14 0.21 0.02 0.00 0.00 176.95 177.86 3fl8 s LYS 136 N -1.99 1.98 -0.06 4.98 2.20 0.37 -4.71 119.74 122.51 3fl8 s LYS 136 Ca 0.15 -0.50 -0.30 0.00 -0.36 0.00 0.00 55.97 54.97 3fl8 s LYS 136 Cb -0.10 -1.64 -0.03 0.00 -1.51 0.00 0.00 37.83 34.55 3fl8 s LYS 136 CO 0.07 0.01 1.24 -2.00 -0.36 0.00 0.00 175.35 174.31 3fl8 s GLU 137 N 0.76 4.33 -0.00 4.03 2.12 -1.26 -0.67 118.70 128.00 3fl8 s GLU 137 Ca -0.12 1.71 0.09 0.00 0.36 0.00 0.00 54.97 57.01 3fl8 s GLU 137 Cb -0.16 -3.59 -0.11 0.00 0.26 0.00 0.00 34.13 30.53 3fl8 s GLU 137 CO 0.03 -0.50 0.35 1.33 -0.54 0.00 0.00 175.26 175.92 3fl8 n VAL 138 N 4.73 0.00 -3.62 3.70 0.24 0.12 -4.95 118.33 118.55 3fl8 n VAL 138 Ca 0.12 -0.26 -0.15 0.00 -2.04 0.00 0.00 64.34 62.01 3fl8 n VAL 138 Cb 0.46 0.81 -0.07 0.00 -1.47 0.00 0.00 33.84 33.57 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 -2.09 -0.72 0.01 6.34 5.36 -1.03 -4.98 117.98 120.86 3fl8 s PHE 139 Ca 0.02 1.68 -0.04 0.00 -0.96 0.00 0.00 56.93 57.62 3fl8 s PHE 139 Cb 0.07 0.28 -0.01 0.00 -0.34 0.00 0.00 43.02 43.02 3fl8 s PHE 139 CO 0.39 -0.41 0.06 0.54 -1.46 0.00 0.00 175.22 174.34 3fl8 s VAL 140 N 0.04 0.09 -0.28 3.12 0.11 -1.26 -0.33 120.40 121.89 3fl8 s VAL 140 Ca -0.02 -0.71 -0.17 0.00 -2.93 0.00 0.00 61.98 58.16 3fl8 s VAL 140 Cb -0.04 -0.33 0.09 0.00 -1.53 0.00 0.00 36.38 34.57 3fl8 s VAL 140 CO 0.03 -0.39 0.73 -0.70 -3.33 0.00 0.00 175.10 171.44 3fl8 s GLU 141 N -1.26 0.67 0.09 1.54 2.12 0.05 -4.98 118.70 116.91 3fl8 s GLU 141 Ca -0.14 1.13 -0.31 0.00 0.36 0.00 0.00 54.97 56.02 3fl8 s GLU 141 Cb -0.08 0.14 -0.07 0.00 0.26 0.00 0.00 34.13 34.39 3fl8 s GLU 141 CO 0.00 -0.14 1.28 0.21 -0.54 0.00 0.00 175.26 176.08 3fl8 s LYS 142 N 1.52 4.38 0.81 4.30 2.20 -1.26 -0.06 119.74 131.64 3fl8 s LYS 142 Ca -0.09 1.90 -0.11 0.00 -0.36 0.00 0.00 55.97 57.31 3fl8 s LYS 142 Cb -0.05 -3.30 0.08 0.00 -1.51 0.00 0.00 37.83 33.05 3fl8 s LYS 142 CO -0.18 -0.33 1.09 0.20 -0.36 0.00 0.00 175.35 175.77 3fl8 s GLY 143 N 1.07 1.63 -0.26 5.54 0.00 0.16 -4.88 107.32 110.58 3fl8 s GLY 143 Ca 0.61 -0.10 -0.29 0.00 0.00 0.00 0.00 44.72 44.94 3fl8 s GLY 143 CO 0.30 0.33 1.12 -2.27 0.00 0.00 0.00 173.10 172.58 3fl8 s LEU 144 N -5.89 4.02 -0.21 0.66 2.96 -1.26 -4.75 118.68 114.20 3fl8 s LEU 144 Ca 0.61 1.28 -0.06 0.00 -0.22 0.00 0.00 54.13 55.74 3fl8 s LEU 144 Cb -0.16 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 3fl8 s LEU 144 CO 0.55 -0.82 0.03 -0.89 -1.32 0.00 0.00 176.35 173.90 3fl8 s THR 145 N 3.57 4.12 0.00 3.68 2.01 -1.26 -4.76 115.64 123.00 3fl8 s THR 145 Ca 0.48 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.23 3fl8 s THR 145 Cb -0.15 -2.88 0.00 0.00 0.01 0.00 0.00 72.50 69.48 3fl8 s THR 145 CO 0.13 0.40 0.00 -0.90 -0.69 0.00 0.00 174.62 173.56 3fl8 n ASP 146 N 4.41 0.00 -0.24 3.53 5.68 -0.53 -4.96 116.55 124.44 3fl8 n ASP 146 Ca -0.17 -0.55 0.04 0.00 -0.50 0.00 0.00 54.79 53.62 3fl8 n ASP 146 Cb 0.52 0.00 0.16 0.00 -1.14 0.00 0.00 41.12 40.66 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 0.30 0.00 0.11 3.07 -1.97 -1.75 114.58 114.34 3fl8 h GLU 147 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3fl8 h GLU 147 Cb 0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 27.84 3fl8 h GLU 147 CO 0.00 0.20 -0.47 1.63 -1.40 0.00 0.00 179.01 178.97 3fl8 n LYS 148 N -5.11 0.22 -3.59 2.33 5.02 -1.26 -4.45 118.16 111.32 3fl8 n LYS 148 Ca 0.13 0.09 -0.27 0.00 -2.02 0.00 0.00 58.31 56.23 3fl8 n LYS 148 Cb 0.41 -1.66 -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 0.09 -0.52 0.00 0.00 177.40 176.97 3fl8 n ASN 149 N -2.00 1.21 -0.15 4.39 3.02 -0.66 -4.42 115.26 116.65 3fl8 n ASN 149 Ca 0.04 -2.79 -0.07 0.00 -0.03 0.00 0.00 54.58 51.73 3fl8 n ASN 149 Cb 0.42 -0.65 0.10 0.00 -0.61 0.00 0.00 39.78 39.04 3fl8 n ASN 149 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3fl8 h PRO 150 N 5.36 0.92 -7.45 3.52 0.11 -1.76 -1.41 132.00 131.28 3fl8 h PRO 150 Ca 0.21 -0.27 -0.47 0.00 0.11 0.00 0.00 66.00 65.57 3fl8 h PRO 150 Cb 0.83 -0.09 0.09 0.00 0.11 0.00 0.00 31.00 31.93 3fl8 h PRO 150 CO 0.54 0.92 0.34 0.71 -0.21 0.00 0.00 178.00 180.30 3fl8 s TYR 151 N -4.98 3.04 -0.14 0.65 2.02 -1.26 -4.71 117.35 111.97 3fl8 s TYR 151 Ca -0.10 0.71 -0.12 0.00 -0.37 0.00 0.00 57.07 57.18 3fl8 s TYR 151 Cb 0.14 -3.25 -0.05 0.00 -0.40 0.00 0.00 41.96 38.40 3fl8 s TYR 151 CO 0.83 -1.46 0.26 0.99 -1.57 0.00 0.00 175.55 174.60 3fl8 s THR 152 N -3.38 5.32 0.17 -0.71 2.01 -1.26 -4.61 115.64 113.17 3fl8 s THR 152 Ca 0.60 0.47 -0.15 0.00 0.31 0.00 0.00 61.69 62.92 3fl8 s THR 152 Cb -0.11 -3.58 0.02 0.00 0.01 0.00 0.00 72.50 68.84 3fl8 s THR 152 CO 0.48 0.46 0.43 -0.72 -0.69 0.00 0.00 174.62 174.58 3fl8 s TYR 153 N -0.01 -0.01 -0.01 4.92 -0.85 -1.26 0.03 117.35 120.16 3fl8 s TYR 153 Ca 0.16 -0.34 0.00 0.00 -0.52 0.00 0.00 57.07 56.37 3fl8 s TYR 153 Cb -0.13 0.25 0.01 0.00 0.38 0.00 0.00 41.96 42.46 3fl8 s TYR 153 CO 0.04 -0.82 -0.00 0.71 -1.52 0.00 0.00 175.55 173.96 3fl8 s TYR 154 N -3.88 0.10 -0.04 -3.49 1.51 -0.67 -0.66 117.35 110.22 3fl8 s TYR 154 Ca 0.10 0.01 -0.27 0.00 -1.01 0.00 0.00 57.07 55.90 3fl8 s TYR 154 Cb 0.01 -0.12 -0.03 0.00 -0.11 0.00 0.00 41.96 41.70 3fl8 s TYR 154 CO -0.04 -0.03 0.85 0.71 -1.11 0.00 0.00 175.55 175.93 3fl8 s TYR 155 N 0.25 3.61 -0.03 2.71 1.51 0.91 -1.36 117.35 124.96 3fl8 s TYR 155 Ca -0.02 1.48 0.05 0.00 -1.01 0.00 0.00 57.07 57.57 3fl8 s TYR 155 Cb -0.04 -2.97 -0.01 0.00 -0.11 0.00 0.00 41.96 38.83 3fl8 s TYR 155 CO -0.01 0.03 -0.18 -1.01 -1.11 0.00 0.00 175.55 173.27 3fl8 s HIS 156 N 0.95 1.68 -0.14 2.71 3.76 -0.13 -0.77 115.29 123.34 3fl8 s HIS 156 Ca 0.45 -0.39 0.02 0.00 -0.15 0.00 0.00 55.06 54.99 3fl8 s HIS 156 Cb -0.19 -1.10 0.02 0.00 1.11 0.00 0.00 32.58 32.41 3fl8 s HIS 156 CO 0.23 -0.09 -0.18 0.08 -0.85 0.00 0.00 174.74 173.93 3fl8 s VAL 157 N -0.23 1.83 0.01 -0.90 1.01 0.55 -1.07 120.40 121.60 3fl8 s VAL 157 Ca 0.02 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.25 3fl8 s VAL 157 Cb -0.09 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 3fl8 s VAL 157 CO 0.01 0.50 -0.17 -0.31 0.00 0.00 0.00 175.10 175.13 3fl8 s TYR 158 N 1.09 2.59 0.26 5.22 2.02 0.21 0.15 117.35 128.90 3fl8 s TYR 158 Ca -0.02 -0.24 0.05 0.00 -0.37 0.00 0.00 57.07 56.50 3fl8 s TYR 158 Cb -0.14 -1.51 -0.06 0.00 -0.40 0.00 0.00 41.96 39.85 3fl8 s TYR 158 CO -0.06 0.22 -0.03 -1.21 -1.57 0.00 0.00 175.55 172.90 3fl8 s GLU 159 N -1.21 1.46 0.21 -0.62 2.02 0.15 -0.97 118.70 119.74 3fl8 s GLU 159 Ca 0.14 -1.74 -0.31 0.00 0.02 0.00 0.00 54.97 53.07 3fl8 s GLU 159 Cb -0.11 -0.91 -0.11 0.00 0.10 0.00 0.00 34.13 33.11 3fl8 s GLU 159 CO 0.04 -0.03 1.62 0.15 0.02 0.00 0.00 175.26 177.06 3fl8 s LYS 160 N -3.79 4.17 -0.10 1.61 -0.14 -1.24 -0.48 119.74 119.77 3fl8 s LYS 160 Ca 0.29 2.49 -0.29 0.00 -1.36 0.00 0.00 55.97 57.10 3fl8 s LYS 160 Cb 0.05 -3.10 -0.06 0.00 -1.68 0.00 0.00 37.83 33.04 3fl8 s LYS 160 CO 0.11 -0.66 1.86 1.14 -0.76 0.00 0.00 175.35 177.04 3fl8 s GLN 161 N 0.75 3.87 0.06 1.68 -2.07 0.19 -4.68 119.66 119.45 3fl8 s GLN 161 Ca 0.70 2.17 -0.28 0.00 -1.82 0.00 0.00 55.36 56.13 3fl8 s GLN 161 Cb -0.47 -4.13 -0.05 0.00 -1.09 0.00 0.00 33.01 27.27 3fl8 s GLN 161 CO 0.35 -1.24 0.89 -0.65 -1.32 0.00 0.00 175.29 173.32 3fl8 s GLN 162 N 4.79 4.59 -0.14 9.60 1.11 -1.26 -4.95 119.66 133.41 3fl8 s GLN 162 Ca 0.83 1.29 -0.15 0.00 0.01 0.00 0.00 55.36 57.34 3fl8 s GLN 162 Cb -0.34 -3.39 -0.05 0.00 -1.01 0.00 0.00 33.01 28.22 3fl8 s GLN 162 CO 0.35 0.17 0.36 -0.51 0.01 0.00 0.00 175.29 175.67 3fl8 s LEU 163 N 0.24 4.27 0.19 2.90 1.02 -1.26 -5.07 118.68 120.97 3fl8 s LEU 163 Ca 0.45 0.64 -0.30 0.00 0.02 0.00 0.00 54.13 54.94 3fl8 s LEU 163 Cb -0.22 -2.49 -0.08 0.00 0.02 0.00 0.00 46.19 43.42 3fl8 s LEU 163 CO 0.27 0.08 1.16 -0.69 0.02 0.00 0.00 176.35 177.18 3fl8 s VAL 164 N 0.44 3.66 1.10 -1.59 1.01 -1.26 -5.04 120.40 118.71 3fl8 s VAL 164 Ca 0.20 1.43 -0.16 0.00 0.00 0.00 0.00 61.98 63.44 3fl8 s VAL 164 Cb -0.14 -3.91 0.24 0.00 0.00 0.00 0.00 36.38 32.57 3fl8 s VAL 164 CO 0.07 0.24 1.13 -2.84 0.00 0.00 0.00 175.10 173.70 3fl8 s PRO 165 N -0.38 -0.40 0.00 2.72 0.02 -1.26 -5.33 135.00 130.37 3fl8 s PRO 165 Ca 0.51 0.08 0.16 0.00 0.02 0.00 0.00 61.00 61.77 3fl8 s PRO 165 Cb -0.31 -1.68 0.13 0.00 0.02 0.00 0.00 34.50 32.65 3fl8 s PRO 165 CO 0.36 -3.20 1.01 2.89 -0.33 0.00 0.00 177.00 177.74