#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 5.21 -0.36 1.12 1.01 -0.75 -4.98 121.20 122.46 3fl8 s ILE 2 Ca 0.00 0.25 -0.17 0.00 0.00 0.00 0.00 60.65 60.73 3fl8 s ILE 2 Cb 0.00 -3.70 -0.00 0.00 0.01 0.00 0.00 42.46 38.77 3fl8 s ILE 2 CO 0.00 0.09 0.44 -0.69 0.00 0.00 0.00 174.94 174.77 3fl8 s VAL 3 N 1.95 5.09 -0.08 2.92 1.01 -1.26 -0.87 120.40 129.17 3fl8 s VAL 3 Ca 0.11 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.24 3fl8 s VAL 3 Cb -0.16 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 3fl8 s VAL 3 CO 0.11 -0.19 -0.17 -0.44 0.00 0.00 0.00 175.10 174.41 3fl8 s SER 4 N 1.76 3.77 -0.03 3.32 0.01 0.26 -0.01 113.70 122.77 3fl8 s SER 4 Ca 0.15 -0.33 -0.23 0.00 1.31 0.00 0.00 55.95 56.85 3fl8 s SER 4 Cb -0.16 -1.11 -0.04 0.00 0.21 0.00 0.00 66.02 64.91 3fl8 s SER 4 CO 0.13 0.26 0.68 -0.36 0.41 0.00 0.00 173.24 174.35 3fl8 s PHE 5 N -0.20 3.63 -0.23 2.43 0.40 -0.21 0.51 117.98 124.31 3fl8 s PHE 5 Ca -0.00 1.27 -0.01 0.00 -0.60 0.00 0.00 56.93 57.59 3fl8 s PHE 5 Cb -0.13 -2.75 0.02 0.00 0.51 0.00 0.00 43.02 40.67 3fl8 s PHE 5 CO 0.03 0.20 -0.10 1.41 0.70 0.00 0.00 175.22 177.46 3fl8 s MET 6 N 0.36 2.90 -0.04 0.44 -2.45 -0.58 -0.45 119.30 119.49 3fl8 s MET 6 Ca 0.36 -0.92 -0.08 0.00 -1.25 0.00 0.00 55.69 53.80 3fl8 s MET 6 Cb -0.18 -2.87 0.01 0.00 1.25 0.00 0.00 34.83 33.04 3fl8 s MET 6 CO 0.19 -0.33 0.18 0.54 1.05 0.00 0.00 175.02 176.64 3fl8 s VAL 7 N 1.32 0.04 -0.12 10.11 0.11 0.13 -4.56 120.40 127.43 3fl8 s VAL 7 Ca 0.01 -0.34 0.03 0.00 -2.93 0.00 0.00 61.98 58.75 3fl8 s VAL 7 Cb -0.16 -0.37 -0.00 0.00 -1.53 0.00 0.00 36.38 34.32 3fl8 s VAL 7 CO -0.07 -0.19 -0.21 0.00 -3.33 0.00 0.00 175.10 171.31 3fl8 s ALA 8 N -0.66 2.30 0.08 1.54 0.00 -1.26 -0.00 121.76 123.75 3fl8 s ALA 8 Ca -0.07 -0.98 -0.08 0.00 0.00 0.00 0.00 51.96 50.82 3fl8 s ALA 8 Cb -0.04 -0.96 -0.00 0.00 0.00 0.00 0.00 23.12 22.12 3fl8 s ALA 8 CO 0.01 0.20 0.18 0.00 0.00 0.00 0.00 175.76 176.15 3fl8 s MET 9 N 0.46 0.80 0.00 0.00 0.00 -0.03 -4.57 119.30 115.96 3fl8 s MET 9 Ca -0.14 -0.91 0.00 0.00 0.00 0.00 0.00 55.69 54.63 3fl8 s MET 9 Cb -0.17 0.32 0.00 0.00 0.00 0.00 0.00 34.83 34.98 3fl8 s MET 9 CO 0.06 -0.24 0.00 -0.40 0.00 0.00 0.00 175.02 174.44 3fl8 n ASP 10 N 0.10 0.00 0.29 -1.18 5.75 -0.84 -0.64 116.55 120.04 3fl8 n ASP 10 Ca -0.16 -0.69 0.16 0.00 -0.01 0.00 0.00 54.79 54.09 3fl8 n ASP 10 Cb 0.62 0.00 0.90 0.00 -1.03 0.00 0.00 41.12 41.61 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 -0.22 0.11 5.08 -1.33 -1.89 114.58 116.33 3fl8 h GLU 11 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3fl8 h GLU 11 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3fl8 h GLU 11 CO 0.00 0.05 -0.01 0.09 -1.00 0.00 0.00 179.01 178.14 3fl8 n ASN 12 N -3.54 3.43 -0.35 1.42 5.03 -1.26 -4.96 115.26 115.03 3fl8 n ASN 12 Ca -0.02 -3.12 -0.05 0.00 0.87 0.00 0.00 54.58 52.26 3fl8 n ASN 12 Cb 0.15 -0.53 -0.02 0.00 -1.02 0.00 0.00 39.78 38.36 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 -0.76 -0.71 -1.79 3.52 1.74 -0.71 -4.88 116.66 113.06 3fl8 n ARG 13 Ca 0.22 0.52 -0.42 0.00 -0.77 0.00 0.00 57.85 57.40 3fl8 n ARG 13 Cb 0.86 -4.27 -0.03 0.00 -1.02 0.00 0.00 32.46 28.00 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 -1.97 2.19 0.00 1.55 1.01 -1.26 -0.31 120.40 121.60 3fl8 s VAL 14 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.12 3fl8 s VAL 14 Cb 0.00 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.29 3fl8 s VAL 14 CO 0.00 0.01 0.40 2.30 0.00 0.00 0.00 175.10 177.82 3fl8 n ILE 15 N 3.68 0.00 -3.57 2.22 -5.35 -0.45 -1.98 119.36 113.91 3fl8 n ILE 15 Ca 0.14 -0.42 -0.07 0.00 -0.27 0.00 0.00 62.75 62.13 3fl8 n ILE 15 Cb 0.36 1.16 -0.03 0.00 -1.74 0.00 0.00 39.64 39.39 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 -0.03 -0.29 -0.09 3.28 0.00 -1.21 -4.79 107.32 104.19 3fl8 s GLY 16 Ca 0.00 1.69 -0.04 0.00 0.00 0.00 0.00 44.72 46.37 3fl8 s GLY 16 CO 0.00 0.68 0.21 1.25 0.00 0.00 0.00 173.10 175.24 3fl8 s LYS 17 N -2.10 0.16 -1.66 2.90 2.47 0.09 -1.32 119.74 120.28 3fl8 s LYS 17 Ca 0.05 0.49 -0.14 0.00 -1.56 0.00 0.00 55.97 54.81 3fl8 s LYS 17 Cb -0.01 -0.14 0.13 0.00 -1.46 0.00 0.00 37.83 36.35 3fl8 s LYS 17 CO -0.04 -0.18 0.63 -0.25 0.16 0.00 0.00 175.35 175.67 3fl8 n ASP 18 N 4.32 -2.20 -1.63 1.43 8.00 -1.26 -1.02 116.55 124.20 3fl8 n ASP 18 Ca -0.24 -1.07 -0.14 0.00 0.71 0.00 0.00 54.79 54.06 3fl8 n ASP 18 Cb 0.52 -2.56 -0.00 0.00 -0.02 0.00 0.00 41.12 39.06 3fl8 n ASP 18 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3fl8 n ASN 19 N -2.71 -4.27 -3.13 -2.24 0.23 -1.26 -5.00 115.26 96.88 3fl8 n ASN 19 Ca -0.02 -0.04 -0.11 0.00 -0.53 0.00 0.00 54.58 53.88 3fl8 n ASN 19 Cb 0.54 -3.40 -0.01 0.00 -2.08 0.00 0.00 39.78 34.83 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 -2.45 0.34 -0.05 0.53 0.01 -0.18 -4.69 114.94 108.45 3fl8 s ASN 20 Ca 0.03 -1.24 -0.26 0.00 -0.71 0.00 0.00 52.86 50.68 3fl8 s ASN 20 Cb -0.01 0.77 -0.03 0.00 0.41 0.00 0.00 41.25 42.38 3fl8 s ASN 20 CO 0.04 -1.51 0.82 -0.76 -1.51 0.00 0.00 177.10 174.18 3fl8 s LEU 21 N -3.12 4.33 0.25 0.60 1.43 -1.26 -0.73 118.68 120.17 3fl8 s LEU 21 Ca 0.21 1.37 0.21 0.00 -1.03 0.00 0.00 54.13 54.89 3fl8 s LEU 21 Cb -0.03 -3.28 0.97 0.00 0.03 0.00 0.00 46.19 43.88 3fl8 s LEU 21 CO 0.14 -0.19 1.64 -2.65 0.23 0.00 0.00 176.35 175.52 3fl8 n PRO 22 N 3.94 0.15 -4.48 1.29 -0.02 -1.26 -4.73 135.00 129.90 3fl8 n PRO 22 Ca 0.02 0.49 -0.23 0.00 -2.02 0.00 0.00 63.50 61.76 3fl8 n PRO 22 Cb 0.51 -1.86 -0.10 0.00 -0.02 0.00 0.00 33.50 32.03 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 -3.36 2.17 -0.29 6.00 -2.14 -1.26 -5.03 118.94 115.04 3fl8 s TRP 23 Ca 0.02 -0.55 0.01 0.00 2.66 0.00 0.00 56.10 58.24 3fl8 s TRP 23 Cb 0.08 -1.19 0.09 0.00 -3.10 0.00 0.00 33.47 29.35 3fl8 s TRP 23 CO 0.30 0.48 0.04 0.50 -2.66 0.00 0.00 176.95 175.60 3fl8 s ARG 24 N -3.64 1.18 -0.54 3.25 3.52 -1.26 -5.04 118.95 116.41 3fl8 s ARG 24 Ca 0.30 -1.24 0.04 0.00 -0.13 0.00 0.00 55.73 54.70 3fl8 s ARG 24 Cb 0.02 -2.51 0.16 0.00 -1.56 0.00 0.00 34.95 31.06 3fl8 s ARG 24 CO 0.14 -0.85 0.37 -0.51 -0.81 0.00 0.00 175.30 173.64 3fl8 s LEU 25 N 1.36 3.33 0.28 -0.88 1.43 -1.26 -4.58 118.68 118.36 3fl8 s LEU 25 Ca 0.05 -3.26 0.03 0.00 -1.03 0.00 0.00 54.13 49.92 3fl8 s LEU 25 Cb -0.18 -1.16 0.68 0.00 0.03 0.00 0.00 46.19 45.55 3fl8 s LEU 25 CO -0.14 -0.17 1.71 -0.65 0.23 0.00 0.00 176.35 177.33 3fl8 h PRO 26 N 5.90 0.44 -0.71 1.29 0.11 -1.97 -0.23 132.00 136.83 3fl8 h PRO 26 Ca 0.12 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.16 3fl8 h PRO 26 Cb 0.85 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.83 3fl8 h PRO 26 CO 0.56 0.29 0.28 1.03 -0.21 0.00 0.00 178.00 179.95 3fl8 h SER 27 N 0.46 0.96 -0.46 -2.05 0.87 -1.92 -1.35 113.55 110.05 3fl8 h SER 27 Ca 0.54 -0.14 0.02 0.00 -1.23 0.00 0.00 61.79 60.97 3fl8 h SER 27 Cb 0.96 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.64 3fl8 h SER 27 CO -0.49 0.86 0.28 -0.08 -0.53 0.00 0.00 176.83 176.87 3fl8 h GLU 28 N 1.02 0.54 -0.19 2.24 4.22 -1.42 -1.51 114.58 119.48 3fl8 h GLU 28 Ca 0.24 -0.03 -0.06 0.00 0.08 0.00 0.00 59.36 59.59 3fl8 h GLU 28 Cb 0.20 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3fl8 h GLU 28 CO -0.02 0.36 -0.15 -0.07 -2.18 0.00 0.00 179.01 176.95 3fl8 h LEU 29 N 0.55 0.30 -0.98 1.64 3.38 -1.03 -1.02 115.31 118.15 3fl8 h LEU 29 Ca 0.18 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 3fl8 h LEU 29 Cb 0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3fl8 h LEU 29 CO -0.08 0.47 -0.25 -0.61 0.09 0.00 0.00 178.44 178.07 3fl8 h GLN 30 N 0.29 0.44 -0.50 1.13 5.75 -0.79 -0.14 115.11 121.29 3fl8 h GLN 30 Ca 0.06 -0.16 -0.05 0.00 -0.15 0.00 0.00 58.65 58.34 3fl8 h GLN 30 Cb 0.44 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 3fl8 h GLN 30 CO 0.03 0.66 0.10 -0.92 -2.65 0.00 0.00 178.83 176.05 3fl8 h TYR 31 N 0.39 0.86 -0.35 3.99 3.20 -0.20 -0.98 116.97 123.89 3fl8 h TYR 31 Ca 0.06 -0.11 0.02 0.00 3.14 0.00 0.00 58.73 61.84 3fl8 h TYR 31 Cb 0.65 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 3fl8 h TYR 31 CO 0.02 0.77 0.18 0.28 -1.64 0.00 0.00 178.16 177.78 3fl8 h VAL 32 N 0.70 1.01 -0.37 1.81 2.07 -0.73 -0.12 116.25 120.62 3fl8 h VAL 32 Ca 0.16 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 3fl8 h VAL 32 Cb 0.36 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3fl8 h VAL 32 CO 0.01 0.07 0.21 0.50 0.02 0.00 0.00 177.57 178.38 3fl8 h LYS 33 N 0.38 0.51 -0.50 1.57 3.64 -0.84 -1.34 116.57 119.98 3fl8 h LYS 33 Ca 0.14 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3fl8 h LYS 33 Cb 0.03 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 3fl8 h LYS 33 CO -0.08 0.40 0.25 -0.22 -2.27 0.00 0.00 179.45 177.52 3fl8 h LYS 34 N 0.48 0.72 -0.21 1.90 3.64 -0.90 -2.93 116.57 119.26 3fl8 h LYS 34 Ca 0.13 -0.10 -0.16 0.00 -1.27 0.00 0.00 60.65 59.25 3fl8 h LYS 34 Cb 0.03 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3fl8 h LYS 34 CO -0.02 0.60 -0.52 1.15 -2.27 0.00 0.00 179.45 178.39 3fl8 h THR 35 N 0.67 1.31 -0.52 1.00 2.02 -0.77 -3.22 112.91 113.40 3fl8 h THR 35 Ca 0.17 -1.74 0.00 0.00 0.77 0.00 0.00 66.41 65.61 3fl8 h THR 35 Cb 0.11 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 3fl8 h THR 35 CO -0.02 0.55 0.00 0.35 0.37 0.00 0.00 175.52 176.76 3fl8 n THR 36 N -3.98 0.70 -1.80 3.16 -2.24 -0.53 -4.95 114.28 104.64 3fl8 n THR 36 Ca -0.03 -0.72 -0.42 0.00 -2.27 0.00 0.00 64.05 60.61 3fl8 n THR 36 Cb 0.59 0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 69.20 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 -1.30 4.16 0.00 -0.78 0.00 -1.11 -2.02 119.30 118.24 3fl8 s MET 37 Ca 0.37 2.46 0.00 0.00 0.00 0.00 0.00 55.69 58.52 3fl8 s MET 37 Cb 0.19 -4.00 0.00 0.00 0.00 0.00 0.00 34.83 31.02 3fl8 s MET 37 CO 0.26 -0.89 0.00 0.41 0.00 0.00 0.00 175.02 174.79 3fl8 n GLY 38 N 4.34 0.45 3.16 2.11 0.00 -1.25 -5.04 105.19 108.95 3fl8 n GLY 38 Ca 0.19 -0.71 -0.18 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.00 1.16 0.39 1.61 3.76 -0.86 -5.02 115.29 114.33 3fl8 s HIS 39 Ca 0.00 -0.44 -0.27 0.00 -0.15 0.00 0.00 55.06 54.19 3fl8 s HIS 39 Cb 0.00 -0.66 -0.10 0.00 1.11 0.00 0.00 32.58 32.93 3fl8 s HIS 39 CO 0.00 0.04 1.39 -2.14 -0.85 0.00 0.00 174.74 173.18 3fl8 s PRO 40 N -1.62 4.05 -0.24 8.40 0.02 -1.26 -4.33 135.00 140.02 3fl8 s PRO 40 Ca -0.02 2.36 -0.09 0.00 0.02 0.00 0.00 61.00 63.26 3fl8 s PRO 40 Cb -0.10 -2.88 -0.04 0.00 0.02 0.00 0.00 34.50 31.50 3fl8 s PRO 40 CO 0.02 -0.50 0.12 -0.51 -0.33 0.00 0.00 177.00 175.81 3fl8 s LEU 41 N -2.23 3.85 -0.26 -5.54 1.43 0.27 -1.75 118.68 114.44 3fl8 s LEU 41 Ca 0.54 -0.01 -0.07 0.00 -1.03 0.00 0.00 54.13 53.56 3fl8 s LEU 41 Cb -0.42 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 43.75 3fl8 s LEU 41 CO 0.56 0.03 0.06 -0.63 0.23 0.00 0.00 176.35 176.60 3fl8 s ILE 42 N 1.26 4.10 0.02 -0.59 -1.09 0.50 -0.98 121.20 124.42 3fl8 s ILE 42 Ca 0.06 -0.36 -0.02 0.00 -2.23 0.00 0.00 60.65 58.10 3fl8 s ILE 42 Cb -0.14 -2.97 -0.02 0.00 -1.58 0.00 0.00 42.46 37.75 3fl8 s ILE 42 CO 0.05 0.27 0.01 0.00 -1.23 0.00 0.00 174.94 174.05 3fl8 s MET 43 N 1.57 0.38 0.73 2.79 0.23 -0.59 0.94 119.30 125.35 3fl8 s MET 43 Ca 0.05 -0.61 -0.14 0.00 -1.03 0.00 0.00 55.69 53.96 3fl8 s MET 43 Cb -0.16 0.14 0.04 0.00 -1.53 0.00 0.00 34.83 33.33 3fl8 s MET 43 CO 0.02 -0.07 1.17 0.20 -2.03 0.00 0.00 175.02 174.31 3fl8 s GLY 44 N -1.57 2.22 0.13 3.16 0.00 -1.01 -0.50 107.32 109.74 3fl8 s GLY 44 Ca -0.14 0.75 -0.20 0.00 0.00 0.00 0.00 44.72 45.13 3fl8 s GLY 44 CO -0.01 1.14 1.72 3.21 0.00 0.00 0.00 173.10 179.15 3fl8 h ARG 45 N -0.37 0.05 -0.08 2.90 3.08 -1.87 -0.51 114.38 117.58 3fl8 h ARG 45 Ca -0.47 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.59 3fl8 h ARG 45 Cb 1.28 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.30 3fl8 h ARG 45 CO 0.50 0.03 -0.11 1.57 -1.07 0.00 0.00 179.97 180.90 3fl8 h LYS 46 N 0.05 -0.07 -0.97 0.04 2.10 -1.92 0.14 116.57 115.95 3fl8 h LYS 46 Ca 0.10 0.00 0.30 0.00 -2.00 0.00 0.00 60.65 59.05 3fl8 h LYS 46 Cb 0.13 0.02 -0.17 0.00 -0.90 0.00 0.00 32.23 31.30 3fl8 h LYS 46 CO -0.17 -0.05 0.24 -0.97 -2.00 0.00 0.00 179.45 176.50 3fl8 h ASN 47 N -0.07 -0.11 -0.65 7.07 -1.24 -1.83 0.72 115.58 119.47 3fl8 h ASN 47 Ca 0.01 0.25 -0.07 0.00 0.71 0.00 0.00 56.30 57.20 3fl8 h ASN 47 Cb 0.11 0.36 -0.03 0.00 0.73 0.00 0.00 38.32 39.50 3fl8 h ASN 47 CO -0.12 -0.32 0.14 0.22 -1.29 0.00 0.00 177.43 176.07 3fl8 h TYR 48 N 0.07 1.13 0.00 0.67 3.20 0.08 -2.79 116.97 119.33 3fl8 h TYR 48 Ca 0.66 -0.14 -0.11 0.00 3.14 0.00 0.00 58.73 62.29 3fl8 h TYR 48 Cb 1.49 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 39.43 3fl8 h TYR 48 CO -0.29 0.93 -0.50 0.93 -1.64 0.00 0.00 178.16 177.59 3fl8 h GLU 49 N 1.02 0.00 0.00 1.82 5.08 0.31 -2.22 114.58 120.59 3fl8 h GLU 49 Ca 0.21 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.51 3fl8 h GLU 49 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3fl8 h GLU 49 CO 0.01 0.50 -0.27 0.00 -1.00 0.00 0.00 179.01 178.25 3fl8 h ALA 50 N 1.50 1.47 0.00 3.43 0.00 -0.84 -2.82 119.26 122.00 3fl8 h ALA 50 Ca -0.01 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.49 3fl8 h ALA 50 Cb 0.91 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3fl8 h ALA 50 CO 0.07 0.33 -1.06 0.82 0.00 0.00 0.00 179.25 179.41 3fl8 h ILE 51 N 0.00 0.97 0.00 0.00 2.04 -1.24 -3.48 117.51 115.80 3fl8 h ILE 51 Ca -0.00 -2.53 0.00 0.00 1.00 0.00 0.00 64.86 63.33 3fl8 h ILE 51 Cb 0.50 2.42 0.00 0.00 -0.74 0.00 0.00 36.82 39.00 3fl8 h ILE 51 CO 0.03 0.55 0.00 0.61 0.00 0.00 0.00 178.15 179.35 3fl8 n GLY 52 N 1.35 1.74 3.45 5.37 0.00 -0.88 -4.90 105.19 111.32 3fl8 n GLY 52 Ca -0.05 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 3fl8 n GLY 52 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3fl8 n ARG 53 N 0.00 0.71 -4.02 1.61 -4.01 -1.26 -4.99 116.66 104.70 3fl8 n ARG 53 Ca 0.00 -2.94 -0.35 0.00 -1.04 0.00 0.00 57.85 53.52 3fl8 n ARG 53 Cb 0.00 0.07 -0.07 0.00 -3.04 0.00 0.00 32.46 29.42 3fl8 n ARG 53 CO 0.00 0.00 0.00 -2.14 -3.04 0.00 0.00 177.63 172.45 3fl8 s PRO 54 N -4.18 3.28 -0.93 2.89 0.01 -1.26 -5.00 135.00 129.81 3fl8 s PRO 54 Ca 0.41 -0.28 -0.24 0.00 0.01 0.00 0.00 61.00 60.90 3fl8 s PRO 54 Cb -0.03 -3.04 0.01 0.00 0.01 0.00 0.00 34.50 31.46 3fl8 s PRO 54 CO 0.26 0.72 1.61 -0.51 0.01 0.00 0.00 177.00 179.09 3fl8 s LEU 55 N -1.27 3.35 0.24 -5.54 1.43 -1.26 -4.95 118.68 110.68 3fl8 s LEU 55 Ca 0.18 -1.02 -0.31 0.00 -1.03 0.00 0.00 54.13 51.95 3fl8 s LEU 55 Cb -0.12 -2.56 -0.13 0.00 0.03 0.00 0.00 46.19 43.41 3fl8 s LEU 55 CO 0.08 -1.97 1.47 -2.65 0.23 0.00 0.00 176.35 173.52 3fl8 n PRO 56 N 8.94 2.20 0.00 1.29 -0.02 -1.26 -2.68 135.00 143.47 3fl8 n PRO 56 Ca 0.31 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.58 3fl8 n PRO 56 Cb 0.50 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 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 2.35 0.66 3.01 -1.23 0.00 -1.26 -5.08 105.19 103.64 3fl8 n GLY 57 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.90 0.39 -0.21 1.61 3.00 -1.09 -3.76 118.95 117.99 3fl8 s ARG 58 Ca 0.00 -0.74 -0.29 0.00 0.00 0.00 0.00 55.73 54.70 3fl8 s ARG 58 Cb 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 34.95 35.01 3fl8 s ARG 58 CO 0.00 -0.05 1.73 1.03 0.00 0.00 0.00 175.30 178.01 3fl8 s ARG 59 N -1.95 3.71 -1.05 3.54 0.52 -1.26 -4.88 118.95 117.58 3fl8 s ARG 59 Ca -0.11 1.77 -0.04 0.00 -0.52 0.00 0.00 55.73 56.84 3fl8 s ARG 59 Cb -0.07 -4.10 0.30 0.00 0.52 0.00 0.00 34.95 31.61 3fl8 s ARG 59 CO -0.03 -1.40 1.41 0.09 0.02 0.00 0.00 175.30 175.39 3fl8 n ASN 60 N 8.89 6.20 -4.64 0.23 3.02 -1.26 -0.57 115.26 127.13 3fl8 n ASN 60 Ca 0.20 -3.40 -0.43 0.00 -0.03 0.00 0.00 54.58 50.93 3fl8 n ASN 60 Cb 0.45 -1.23 -0.02 0.00 -0.61 0.00 0.00 39.78 38.36 3fl8 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3fl8 s ILE 61 N -2.70 3.96 -0.16 2.41 1.01 -0.15 -4.04 121.20 121.54 3fl8 s ILE 61 Ca 0.32 1.13 -0.13 0.00 0.00 0.00 0.00 60.65 61.96 3fl8 s ILE 61 Cb 0.05 -3.87 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 3fl8 s ILE 61 CO 0.09 -0.25 0.28 -0.63 0.00 0.00 0.00 174.94 174.42 3fl8 s ILE 62 N 4.30 5.31 -0.29 2.92 1.01 0.01 -1.53 121.20 132.94 3fl8 s ILE 62 Ca 0.63 0.51 -0.09 0.00 0.00 0.00 0.00 60.65 61.70 3fl8 s ILE 62 Cb -0.23 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 3fl8 s ILE 62 CO 0.23 0.41 0.14 -0.69 0.00 0.00 0.00 174.94 175.03 3fl8 s VAL 63 N 0.35 4.71 -0.06 2.92 1.01 0.34 -0.70 120.40 128.97 3fl8 s VAL 63 Ca 0.16 -0.21 -0.16 0.00 0.00 0.00 0.00 61.98 61.76 3fl8 s VAL 63 Cb -0.13 -3.31 0.03 0.00 0.00 0.00 0.00 36.38 32.97 3fl8 s VAL 63 CO 0.04 0.18 0.38 0.28 0.00 0.00 0.00 175.10 175.97 3fl8 s THR 64 N 1.65 0.03 0.20 3.92 -1.32 -0.35 -2.77 115.64 117.00 3fl8 s THR 64 Ca 0.06 -0.26 0.26 0.00 -1.21 0.00 0.00 61.69 60.53 3fl8 s THR 64 Cb -0.16 -0.64 0.26 0.00 -1.51 0.00 0.00 72.50 70.46 3fl8 s THR 64 CO 0.07 -0.14 1.90 -0.09 -2.21 0.00 0.00 174.62 174.14 3fl8 h ARG 65 N 4.34 0.00 0.00 7.08 2.43 -1.85 -3.35 114.38 123.04 3fl8 h ARG 65 Ca -0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 3fl8 h ARG 65 Cb 1.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3fl8 h ARG 65 CO 0.35 0.18 0.00 -1.71 -1.51 0.00 0.00 179.97 177.28 3fl8 n ASN 66 N -3.40 0.00 -1.55 -3.80 5.15 -1.26 -5.01 115.26 105.39 3fl8 n ASN 66 Ca -0.00 0.46 0.00 0.00 -0.60 0.00 0.00 54.58 54.44 3fl8 n ASN 66 Cb 0.37 -0.18 -0.00 0.00 -0.53 0.00 0.00 39.78 39.44 3fl8 n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3fl8 s GLU 75 N -5.28 3.53 -0.08 0.00 2.02 -1.26 -4.99 118.70 112.64 3fl8 s GLU 75 Ca 0.00 -0.30 0.03 0.00 0.02 0.00 0.00 54.97 54.73 3fl8 s GLU 75 Cb 0.00 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.49 3fl8 s GLU 75 CO 0.00 0.29 -0.18 0.08 0.02 0.00 0.00 175.26 175.46 3fl8 s VAL 76 N -2.06 1.60 0.21 2.63 1.01 -1.26 -0.81 120.40 121.73 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 -0.10 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 3fl8 s VAL 76 CO 0.31 0.46 -0.21 0.00 0.00 0.00 0.00 175.10 175.66 3fl8 s ALA 77 N 0.40 2.63 0.00 5.51 0.00 0.12 -4.94 121.76 125.48 3fl8 s ALA 77 Ca -0.14 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.15 3fl8 s ALA 77 Cb -0.16 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.59 3fl8 s ALA 77 CO 0.06 0.40 0.86 0.72 0.00 0.00 0.00 175.76 177.80 3fl8 n HIS 78 N 0.07 0.00 -3.64 0.00 8.25 -1.26 -1.21 115.22 117.43 3fl8 n HIS 78 Ca -0.11 -0.36 -0.04 0.00 -0.26 0.00 0.00 57.72 56.95 3fl8 n HIS 78 Cb 0.57 -0.04 -0.01 0.00 1.12 0.00 0.00 29.99 31.63 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 -0.73 -0.19 0.12 0.41 1.04 -1.26 -4.64 113.70 108.45 3fl8 s SER 79 Ca 0.00 -0.20 -0.19 0.00 0.48 0.00 0.00 55.95 56.04 3fl8 s SER 79 Cb 0.00 0.34 -0.06 0.00 0.10 0.00 0.00 66.02 66.40 3fl8 s SER 79 CO 0.00 -0.61 1.78 0.58 0.98 0.00 0.00 173.24 175.97 3fl8 h VAL 80 N 2.00 1.05 -0.91 5.02 2.07 -1.97 -1.61 116.25 121.90 3fl8 h VAL 80 Ca -0.23 -0.10 0.09 0.00 0.82 0.00 0.00 66.70 67.28 3fl8 h VAL 80 Cb 1.22 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 31.66 3fl8 h VAL 80 CO 0.27 0.05 0.55 -0.33 0.02 0.00 0.00 177.57 178.13 3fl8 h GLU 81 N 0.28 0.91 -0.67 1.57 3.07 -1.99 0.82 114.58 118.57 3fl8 h GLU 81 Ca 0.08 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.81 3fl8 h GLU 81 Cb -0.03 -0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 27.65 3fl8 h GLU 81 CO -0.02 0.60 0.12 0.93 -1.40 0.00 0.00 179.01 179.24 3fl8 h GLU 82 N 0.94 1.10 -0.37 2.33 5.08 -1.86 0.34 114.58 122.14 3fl8 h GLU 82 Ca 0.43 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3fl8 h GLU 82 Cb 0.33 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3fl8 h GLU 82 CO -0.23 1.00 0.21 0.28 -1.00 0.00 0.00 179.01 179.27 3fl8 h VAL 83 N 1.03 1.14 -0.09 3.13 2.07 -0.26 0.88 116.25 124.15 3fl8 h VAL 83 Ca 0.21 -0.34 -0.08 0.00 0.82 0.00 0.00 66.70 67.30 3fl8 h VAL 83 Cb 0.43 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3fl8 h VAL 83 CO 0.01 0.14 -0.32 -0.26 0.02 0.00 0.00 177.57 177.17 3fl8 h PHE 84 N 0.47 0.20 0.24 1.57 0.04 -0.65 -0.60 116.94 118.22 3fl8 h PHE 84 Ca 0.13 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 3fl8 h PHE 84 Cb 0.04 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.14 3fl8 h PHE 84 CO -0.03 0.48 -0.12 1.49 -0.60 0.00 0.00 178.31 179.53 3fl8 h GLU 85 N 0.16 -0.32 -0.97 1.51 4.57 -0.56 -3.17 114.58 115.80 3fl8 h GLU 85 Ca 0.02 0.02 0.12 0.00 -1.18 0.00 0.00 59.36 58.34 3fl8 h GLU 85 Cb 0.64 0.07 -0.08 0.00 -0.16 0.00 0.00 28.75 29.22 3fl8 h GLU 85 CO 0.05 -0.03 0.62 -0.07 -1.18 0.00 0.00 179.01 178.39 3fl8 h LEU 86 N -0.59 0.88-10.12 1.64 3.38 -0.50 -3.51 115.31 106.49 3fl8 h LEU 86 Ca -0.03 0.04 -0.49 0.00 0.09 0.00 0.00 57.88 57.49 3fl8 h LEU 86 Cb 0.43 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3fl8 h LEU 86 CO 0.06 0.48 -0.45 0.00 0.09 0.00 0.00 178.44 178.62 3fl8 n GLU 90 N -1.14 0.00 0.09 0.00 -0.58 -1.26 -4.99 120.64 112.76 3fl8 n GLU 90 Ca -0.08 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.69 3fl8 n GLU 90 Cb 0.56 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.41 3fl8 n GLU 90 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 3fl8 h GLU 91 N 0.00 0.00 -1.89 3.49 4.11 -1.96 -3.41 114.58 114.92 3fl8 h GLU 91 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.44 3fl8 h GLU 91 Cb 0.00 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.03 3fl8 h GLU 91 CO 0.00 0.29 0.16 -2.00 0.07 0.00 0.00 179.01 177.53 3fl8 s GLU 92 N -3.02 0.70 0.19 1.06 2.12 -1.26 -1.81 118.70 116.67 3fl8 s GLU 92 Ca 0.00 0.99 0.10 0.00 0.36 0.00 0.00 54.97 56.42 3fl8 s GLU 92 Cb 0.08 0.25 -0.04 0.00 0.26 0.00 0.00 34.13 34.68 3fl8 s GLU 92 CO 0.78 -0.11 -0.20 0.96 -0.54 0.00 0.00 175.26 176.15 3fl8 s ILE 93 N 0.92 2.03 -0.26 -3.70 -4.36 -0.05 -4.09 121.20 111.69 3fl8 s ILE 93 Ca -0.04 -2.03 0.03 0.00 -0.26 0.00 0.00 60.65 58.35 3fl8 s ILE 93 Cb -0.05 -1.98 0.06 0.00 1.25 0.00 0.00 42.46 41.74 3fl8 s ILE 93 CO -0.09 -0.30 -0.09 -0.36 0.24 0.00 0.00 174.94 174.34 3fl8 s PHE 94 N -2.08 3.18 -0.31 1.37 0.08 -0.72 -0.58 117.98 118.93 3fl8 s PHE 94 Ca 0.19 -2.29 -0.29 0.00 0.12 0.00 0.00 56.93 54.66 3fl8 s PHE 94 Cb -0.06 -1.93 -0.01 0.00 -0.57 0.00 0.00 43.02 40.45 3fl8 s PHE 94 CO 0.08 -0.87 1.53 0.42 -0.10 0.00 0.00 175.22 176.29 3fl8 s ILE 95 N 1.13 3.80 -2.72 0.64 -1.09 0.18 -0.37 121.20 122.76 3fl8 s ILE 95 Ca -0.08 0.86 0.25 0.00 -2.23 0.00 0.00 60.65 59.45 3fl8 s ILE 95 Cb -0.20 -3.91 0.22 0.00 -1.58 0.00 0.00 42.46 36.99 3fl8 s ILE 95 CO -0.05 -0.47 1.33 0.33 -1.23 0.00 0.00 174.94 174.84 3fl8 n PHE 96 N 8.71 0.00 0.00 3.97 7.35 0.27 -1.53 117.46 136.23 3fl8 n PHE 96 Ca 0.18 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.87 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 1.33 -0.67 0.16 7.13 0.00 -1.24 -4.94 105.19 106.96 3fl8 n GLY 97 Ca 0.14 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.98 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 0.15 0.31 -0.02 0.00 -1.26 -2.40 105.19 101.98 3fl8 n GLY 98 Ca 0.00 -1.01 0.11 0.00 0.00 0.00 0.00 46.02 45.12 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 1.09 -0.43 4.61 0.00 -1.98 -0.39 119.26 122.17 3fl8 h ALA 99 Ca 0.00 0.26 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 3fl8 h ALA 99 Cb 0.00 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3fl8 h ALA 99 CO 0.00 -0.49 -0.15 1.96 0.00 0.00 0.00 179.25 180.57 3fl8 h GLN 100 N 0.12 0.79 -0.73 0.00 4.20 -1.92 -1.99 115.11 115.57 3fl8 h GLN 100 Ca 0.52 -0.28 -0.06 0.00 0.06 0.00 0.00 58.65 58.89 3fl8 h GLN 100 Cb 1.03 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.73 3fl8 h GLN 100 CO -0.74 0.90 0.23 0.82 -0.67 0.00 0.00 178.83 179.37 3fl8 h ILE 101 N 0.71 1.26 -0.65 2.54 1.08 -1.41 -1.13 117.51 119.91 3fl8 h ILE 101 Ca 0.11 -0.90 0.01 0.00 -0.39 0.00 0.00 64.86 63.69 3fl8 h ILE 101 Cb 0.65 0.45 -0.03 0.00 -3.07 0.00 0.00 36.82 34.81 3fl8 h ILE 101 CO 0.05 0.35 0.43 1.88 -0.69 0.00 0.00 178.15 180.17 3fl8 h TYR 102 N 1.09 0.82 -0.90 1.37 0.05 -0.67 -2.75 116.97 115.98 3fl8 h TYR 102 Ca 0.24 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 59.02 3fl8 h TYR 102 Cb 0.30 -0.28 -0.04 0.00 1.01 0.00 0.00 36.73 37.72 3fl8 h TYR 102 CO 0.02 0.52 0.50 -0.44 -1.05 0.00 0.00 178.16 177.71 3fl8 h ASP 103 N 0.88 1.12 -0.61 3.88 3.32 -0.86 -1.12 116.42 123.04 3fl8 h ASP 103 Ca 0.24 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3fl8 h ASP 103 Cb -0.10 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.14 3fl8 h ASP 103 CO -0.05 0.89 0.36 -0.07 -1.72 0.00 0.00 179.24 178.65 3fl8 h LEU 104 N 1.26 0.76 -1.81 1.55 3.38 -0.98 -3.06 115.31 116.41 3fl8 h LEU 104 Ca 0.32 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3fl8 h LEU 104 Cb 0.02 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3fl8 h LEU 104 CO -0.05 0.60 -0.04 0.49 0.09 0.00 0.00 178.44 179.53 3fl8 n PHE 105 N -4.39 0.00 -0.32 1.13 3.72 -0.85 -4.44 117.46 112.30 3fl8 n PHE 105 Ca 0.06 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.59 3fl8 n PHE 105 Cb 0.09 -0.00 0.31 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 4.42 0.55 -0.27 4.37 5.85 -1.12 -1.16 115.31 127.97 3fl8 h LEU 106 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3fl8 h LEU 106 Cb 0.96 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3fl8 h LEU 106 CO 0.00 0.13 0.00 -2.65 -0.34 0.00 0.00 178.44 175.58 3fl8 n PRO 107 N -4.91 0.06 0.00 5.25 -0.02 -1.26 -3.05 135.00 131.08 3fl8 n PRO 107 Ca 0.22 0.34 0.01 0.00 -2.02 0.00 0.00 63.50 62.05 3fl8 n PRO 107 Cb 0.61 -1.63 0.01 0.00 -0.02 0.00 0.00 33.50 32.47 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 -1.75 0.00 -2.21 6.00 4.01 -0.47 -5.04 117.16 117.69 3fl8 n TYR 108 Ca 0.03 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.36 3fl8 n TYR 108 Cb 0.17 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.17 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 -0.26 3.04 -0.02 -0.72 0.11 -1.00 -4.53 120.40 117.02 3fl8 s VAL 109 Ca 0.02 0.96 0.04 0.00 -2.93 0.00 0.00 61.98 60.07 3fl8 s VAL 109 Cb 0.01 -3.61 -0.06 0.00 -1.53 0.00 0.00 36.38 31.19 3fl8 s VAL 109 CO 0.03 0.19 0.07 0.47 -3.33 0.00 0.00 175.10 172.53 3fl8 n ASP 110 N 1.68 3.95 -3.77 3.54 8.00 0.98 -4.97 116.55 125.97 3fl8 n ASP 110 Ca 0.03 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.40 3fl8 n ASP 110 Cb 0.43 1.01 -0.11 0.00 -0.02 0.00 0.00 41.12 42.42 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 -2.25 0.32 -0.18 -1.24 2.20 -1.01 -3.72 119.74 113.85 3fl8 s LYS 111 Ca -0.02 0.42 -0.01 0.00 -0.36 0.00 0.00 55.97 56.00 3fl8 s LYS 111 Cb 0.02 0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 3fl8 s LYS 111 CO 0.19 -0.06 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.48 3fl8 s LEU 112 N 0.33 2.53 -0.48 5.43 1.43 -0.32 -1.04 118.68 126.56 3fl8 s LEU 112 Ca -0.01 -0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 52.54 3fl8 s LEU 112 Cb -0.03 -1.60 0.12 0.00 0.03 0.00 0.00 46.19 44.71 3fl8 s LEU 112 CO -0.01 0.03 0.32 -0.31 0.23 0.00 0.00 176.35 176.61 3fl8 s TYR 113 N 1.12 3.49 -0.19 0.29 1.51 0.40 -0.10 117.35 123.88 3fl8 s TYR 113 Ca 0.01 -2.14 0.01 0.00 -1.01 0.00 0.00 57.07 53.93 3fl8 s TYR 113 Cb -0.14 -3.39 0.02 0.00 -0.11 0.00 0.00 41.96 38.33 3fl8 s TYR 113 CO -0.04 -0.97 -0.18 0.42 -1.11 0.00 0.00 175.55 173.66 3fl8 s ILE 114 N 1.11 2.16 -0.25 2.71 1.01 0.58 -0.70 121.20 127.83 3fl8 s ILE 114 Ca 0.08 -0.94 -0.18 0.00 0.00 0.00 0.00 60.65 59.60 3fl8 s ILE 114 Cb -0.24 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.27 3fl8 s ILE 114 CO -0.02 0.50 0.53 -0.89 0.00 0.00 0.00 174.94 175.06 3fl8 s THR 115 N 1.29 5.06 -0.35 2.92 2.01 1.00 -0.45 115.64 127.12 3fl8 s THR 115 Ca 0.04 0.93 -0.12 0.00 0.31 0.00 0.00 61.69 62.85 3fl8 s THR 115 Cb -0.13 -3.84 -0.00 0.00 0.01 0.00 0.00 72.50 68.53 3fl8 s THR 115 CO -0.12 0.09 0.22 -0.54 -0.69 0.00 0.00 174.62 173.59 3fl8 s LYS 116 N 2.21 3.27 -0.24 4.92 1.02 -0.20 -0.85 119.74 129.87 3fl8 s LYS 116 Ca 0.22 -0.79 -0.18 0.00 0.02 0.00 0.00 55.97 55.25 3fl8 s LYS 116 Cb -0.16 -3.76 -0.03 0.00 -0.52 0.00 0.00 37.83 33.36 3fl8 s LYS 116 CO 0.09 -0.52 0.49 0.42 -0.92 0.00 0.00 175.35 174.91 3fl8 s ILE 117 N 1.66 5.10 -1.50 2.17 1.01 0.19 -1.42 121.20 128.41 3fl8 s ILE 117 Ca 0.05 0.85 -0.13 0.00 0.00 0.00 0.00 60.65 61.42 3fl8 s ILE 117 Cb -0.18 -3.81 0.01 0.00 0.01 0.00 0.00 42.46 38.49 3fl8 s ILE 117 CO 0.09 0.13 2.42 1.41 0.00 0.00 0.00 174.94 178.99 3fl8 n HIS 118 N 5.21 3.24 -3.49 3.97 8.25 0.53 -2.84 115.22 130.09 3fl8 n HIS 118 Ca -0.05 -3.01 -0.10 0.00 -0.26 0.00 0.00 57.72 54.30 3fl8 n HIS 118 Cb 0.50 -2.54 -0.03 0.00 1.12 0.00 0.00 29.99 29.05 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 2.90 -0.42 -0.36 4.41 5.04 -1.26 -4.70 115.29 120.90 3fl8 s HIS 119 Ca 0.53 0.36 -0.05 0.00 -1.54 0.00 0.00 55.06 54.36 3fl8 s HIS 119 Cb 0.15 0.52 0.07 0.00 0.04 0.00 0.00 32.58 33.36 3fl8 s HIS 119 CO -0.08 -0.59 0.14 0.00 -2.34 0.00 0.00 174.74 171.86 3fl8 s ALA 120 N -2.88 3.07 0.58 1.58 0.00 -1.26 -2.49 121.76 120.36 3fl8 s ALA 120 Ca 0.02 -2.04 0.04 0.00 0.00 0.00 0.00 51.96 49.98 3fl8 s ALA 120 Cb -0.01 -2.31 0.07 0.00 0.00 0.00 0.00 23.12 20.87 3fl8 s ALA 120 CO -0.07 -1.51 0.81 -0.06 0.00 0.00 0.00 175.76 174.93 3fl8 s PHE 121 N 1.31 2.16 -0.24 0.00 0.40 -1.26 -5.07 117.98 115.28 3fl8 s PHE 121 Ca 0.01 -0.31 -0.22 0.00 -0.60 0.00 0.00 56.93 55.81 3fl8 s PHE 121 Cb -0.21 -2.65 -0.02 0.00 0.51 0.00 0.00 43.02 40.66 3fl8 s PHE 121 CO -0.00 -1.11 0.71 -2.00 0.70 0.00 0.00 175.22 173.52 3fl8 s GLU 122 N -4.79 4.16 0.11 0.44 2.56 -1.26 -5.04 118.70 114.89 3fl8 s GLU 122 Ca 0.61 0.71 -0.04 0.00 0.00 0.00 0.00 54.97 56.25 3fl8 s GLU 122 Cb -0.08 -3.63 -0.03 0.00 2.00 0.00 0.00 34.13 32.39 3fl8 s GLU 122 CO 0.39 -0.42 0.11 0.20 -0.56 0.00 0.00 175.26 174.98 3fl8 s GLY 123 N 1.37 0.60 0.00 -1.50 0.00 -1.26 -4.63 107.32 101.90 3fl8 s GLY 123 Ca 0.30 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.88 3fl8 s GLY 123 CO 0.09 -1.15 0.24 2.09 0.00 0.00 0.00 173.10 174.37 3fl8 n ASP 124 N -0.06 0.48 -3.97 1.64 5.68 -0.44 -4.97 116.55 114.90 3fl8 n ASP 124 Ca -0.10 -0.81 -0.12 0.00 -0.50 0.00 0.00 54.79 53.26 3fl8 n ASP 124 Cb 0.63 0.18 -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 -0.18 0.27 0.04 2.12 -1.32 -1.18 -5.04 115.64 110.36 3fl8 s THR 125 Ca 0.00 -0.60 0.03 0.00 -1.21 0.00 0.00 61.69 59.91 3fl8 s THR 125 Cb 0.00 -0.32 -0.02 0.00 -1.51 0.00 0.00 72.50 70.65 3fl8 s THR 125 CO 0.00 -0.22 -0.09 -0.36 -2.21 0.00 0.00 174.62 171.74 3fl8 s PHE 126 N -0.81 0.82 -0.20 9.09 0.40 -1.26 -1.34 117.98 124.67 3fl8 s PHE 126 Ca -0.07 -0.44 -0.29 0.00 -0.60 0.00 0.00 56.93 55.53 3fl8 s PHE 126 Cb -0.06 -0.48 -0.01 0.00 0.51 0.00 0.00 43.02 42.97 3fl8 s PHE 126 CO -0.00 -0.04 1.35 0.12 0.70 0.00 0.00 175.22 177.35 3fl8 s PHE 127 N -1.20 2.63 0.50 0.36 5.36 0.57 -4.68 117.98 121.52 3fl8 s PHE 127 Ca -0.06 0.84 -0.21 0.00 -0.96 0.00 0.00 56.93 56.53 3fl8 s PHE 127 Cb -0.09 -3.72 -0.08 0.00 -0.34 0.00 0.00 43.02 38.79 3fl8 s PHE 127 CO 0.01 -2.05 0.92 -2.30 -1.46 0.00 0.00 175.22 170.34 3fl8 n PRO 128 N 7.00 1.08 -1.60 10.12 -0.02 -1.26 -4.90 135.00 145.41 3fl8 n PRO 128 Ca 0.15 0.40 -0.38 0.00 -2.02 0.00 0.00 63.50 61.65 3fl8 n PRO 128 Cb 0.45 -2.04 0.05 0.00 -0.02 0.00 0.00 33.50 31.94 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 -0.27 0.90 -3.84 -0.52 -0.58 -1.26 -5.03 120.64 110.04 3fl8 n GLU 129 Ca 0.11 0.35 -0.12 0.00 -0.42 0.00 0.00 57.16 57.08 3fl8 n GLU 129 Cb 0.43 -2.10 -0.13 0.00 -0.57 0.00 0.00 31.44 29.07 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 -2.60 0.14 -0.66 3.49 -1.94 -1.26 -5.09 119.30 111.37 3fl8 s MET 130 Ca 0.74 0.13 -0.27 0.00 -1.71 0.00 0.00 55.69 54.57 3fl8 s MET 130 Cb -0.43 0.07 0.01 0.00 2.01 0.00 0.00 34.83 36.49 3fl8 s MET 130 CO 0.49 -0.02 1.45 0.34 -0.01 0.00 0.00 175.02 177.28 3fl8 s ASP 131 N 0.00 5.94 0.00 3.03 2.15 -1.26 -4.86 116.67 121.67 3fl8 s ASP 131 Ca -0.01 -0.06 0.28 0.00 0.43 0.00 0.00 52.55 53.20 3fl8 s ASP 131 Cb -0.01 -2.55 1.35 0.00 -0.30 0.00 0.00 42.92 41.41 3fl8 s ASP 131 CO 0.00 -1.93 1.95 0.23 -0.17 0.00 0.00 175.17 175.25 3fl8 n MET 132 N 9.13 0.26 0.16 4.34 2.81 -1.26 -2.99 117.12 129.57 3fl8 n MET 132 Ca 0.10 0.02 0.13 0.00 -1.81 0.00 0.00 57.70 56.14 3fl8 n MET 132 Cb 0.50 -1.50 0.55 0.00 -0.71 0.00 0.00 33.22 32.06 3fl8 n MET 132 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3fl8 h THR 133 N 0.00 0.00 -0.02 2.03 1.35 -2.04 0.60 112.91 114.84 3fl8 h THR 133 Ca 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 3fl8 h THR 133 Cb 0.34 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 3fl8 h THR 133 CO 0.00 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 175.86 3fl8 n ASN 134 N -2.40 0.94 -4.30 5.36 4.13 -1.16 -4.91 115.26 112.92 3fl8 n ASN 134 Ca 0.01 -1.34 -0.25 0.00 1.68 0.00 0.00 54.58 54.67 3fl8 n ASN 134 Cb 0.22 -0.01 -0.13 0.00 -1.54 0.00 0.00 39.78 38.32 3fl8 n ASN 134 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3fl8 s TRP 135 N -1.98 1.91 -0.09 3.10 0.52 0.20 -1.45 118.94 121.15 3fl8 s TRP 135 Ca 0.40 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 56.15 3fl8 s TRP 135 Cb 0.21 -1.07 0.01 0.00 -1.15 0.00 0.00 33.47 31.47 3fl8 s TRP 135 CO 0.34 0.21 -0.16 0.21 0.02 0.00 0.00 176.95 177.56 3fl8 s LYS 136 N -1.77 2.21 -0.07 4.98 2.20 0.82 -4.73 119.74 123.37 3fl8 s LYS 136 Ca 0.08 -0.58 -0.30 0.00 -0.36 0.00 0.00 55.97 54.82 3fl8 s LYS 136 Cb -0.10 -1.81 -0.03 0.00 -1.51 0.00 0.00 37.83 34.38 3fl8 s LYS 136 CO 0.04 0.02 1.30 -2.00 -0.36 0.00 0.00 175.35 174.34 3fl8 s GLU 137 N 0.75 4.29 -0.01 4.03 2.12 -1.26 -0.92 118.70 127.69 3fl8 s GLU 137 Ca -0.12 1.77 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 0.02 -0.58 0.35 1.33 -0.54 0.00 0.00 175.26 175.85 3fl8 n VAL 138 N 4.90 0.00 -3.67 3.70 0.24 -0.48 -4.96 118.33 118.06 3fl8 n VAL 138 Ca 0.13 -0.25 -0.14 0.00 -2.04 0.00 0.00 64.34 62.03 3fl8 n VAL 138 Cb 0.45 0.58 -0.08 0.00 -1.47 0.00 0.00 33.84 33.32 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 -2.47 -0.58 -0.02 6.34 5.36 -1.19 -5.01 117.98 120.42 3fl8 s PHE 139 Ca -0.00 1.32 -0.06 0.00 -0.96 0.00 0.00 56.93 57.23 3fl8 s PHE 139 Cb 0.08 0.23 0.00 0.00 -0.34 0.00 0.00 43.02 42.99 3fl8 s PHE 139 CO 0.47 -0.35 0.13 0.54 -1.46 0.00 0.00 175.22 174.55 3fl8 s VAL 140 N -0.10 0.06 -0.23 3.12 0.11 -1.26 -1.30 120.40 120.79 3fl8 s VAL 140 Ca -0.03 -0.47 -0.15 0.00 -2.93 0.00 0.00 61.98 58.40 3fl8 s VAL 140 Cb -0.03 -0.35 0.07 0.00 -1.53 0.00 0.00 36.38 34.53 3fl8 s VAL 140 CO 0.03 -0.26 0.58 -0.70 -3.33 0.00 0.00 175.10 171.42 3fl8 s GLU 141 N -0.89 0.61 0.03 1.54 2.12 -0.43 -4.99 118.70 116.69 3fl8 s GLU 141 Ca -0.10 1.00 -0.30 0.00 0.36 0.00 0.00 54.97 55.92 3fl8 s GLU 141 Cb -0.06 0.14 -0.06 0.00 0.26 0.00 0.00 34.13 34.42 3fl8 s GLU 141 CO 0.01 -0.14 1.29 0.21 -0.54 0.00 0.00 175.26 176.10 3fl8 s LYS 142 N 1.24 4.35 0.87 4.30 2.20 -1.26 -0.23 119.74 131.22 3fl8 s LYS 142 Ca -0.07 1.87 -0.11 0.00 -0.36 0.00 0.00 55.97 57.29 3fl8 s LYS 142 Cb -0.06 -3.43 0.12 0.00 -1.51 0.00 0.00 37.83 32.94 3fl8 s LYS 142 CO -0.13 -0.42 1.09 0.20 -0.36 0.00 0.00 175.35 175.74 3fl8 s GLY 143 N 1.39 1.63 -0.31 5.54 0.00 0.16 -4.90 107.32 110.83 3fl8 s GLY 143 Ca 0.61 0.04 -0.29 0.00 0.00 0.00 0.00 44.72 45.07 3fl8 s GLY 143 CO 0.27 0.50 1.09 -2.27 0.00 0.00 0.00 173.10 172.68 3fl8 s LEU 144 N -6.19 3.95 -0.22 0.66 2.96 -1.26 -4.74 118.68 113.84 3fl8 s LEU 144 Ca 0.63 1.09 -0.07 0.00 -0.22 0.00 0.00 54.13 55.57 3fl8 s LEU 144 Cb -0.18 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 3fl8 s LEU 144 CO 0.57 -0.87 0.05 -0.89 -1.32 0.00 0.00 176.35 173.88 3fl8 s THR 145 N 3.65 4.28 0.00 3.68 2.01 -1.26 -4.76 115.64 123.25 3fl8 s THR 145 Ca 0.46 -0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.27 3fl8 s THR 145 Cb -0.13 -2.97 0.00 0.00 0.01 0.00 0.00 72.50 69.42 3fl8 s THR 145 CO 0.15 0.39 0.00 -0.90 -0.69 0.00 0.00 174.62 173.57 3fl8 n ASP 146 N 4.44 0.00 -0.20 3.53 5.68 -0.53 -4.97 116.55 124.50 3fl8 n ASP 146 Ca -0.17 -0.48 0.00 0.00 -0.50 0.00 0.00 54.79 53.65 3fl8 n ASP 146 Cb 0.52 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.61 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 0.33 0.00 0.11 3.07 -1.97 -1.73 114.58 114.39 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 0.22 -0.25 1.63 -1.40 0.00 0.00 179.01 179.20 3fl8 n LYS 148 N -5.06 0.23 -3.61 2.33 5.02 -1.26 -4.44 118.16 111.37 3fl8 n LYS 148 Ca 0.09 0.14 -0.27 0.00 -2.02 0.00 0.00 58.31 56.24 3fl8 n LYS 148 Cb 0.30 -1.72 -0.11 0.00 -0.02 0.00 0.00 35.03 33.49 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 -2.09 1.19 -0.18 4.39 3.02 -0.66 -4.42 115.26 116.50 3fl8 n ASN 149 Ca 0.05 -2.78 -0.06 0.00 -0.03 0.00 0.00 54.58 51.76 3fl8 n ASN 149 Cb 0.42 -0.65 0.10 0.00 -0.61 0.00 0.00 39.78 39.05 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 5.45 0.97 -7.29 3.52 0.11 -1.75 -1.42 132.00 131.59 3fl8 h PRO 150 Ca 0.21 -0.25 -0.51 0.00 0.11 0.00 0.00 66.00 65.57 3fl8 h PRO 150 Cb 0.83 -0.12 0.05 0.00 0.11 0.00 0.00 31.00 31.88 3fl8 h PRO 150 CO 0.54 0.91 0.37 0.71 -0.21 0.00 0.00 178.00 180.32 3fl8 s TYR 151 N -5.14 3.61 -0.02 0.65 2.02 -1.26 -4.72 117.35 112.48 3fl8 s TYR 151 Ca -0.11 1.23 -0.19 0.00 -0.37 0.00 0.00 57.07 57.63 3fl8 s TYR 151 Cb 0.15 -2.66 -0.05 0.00 -0.40 0.00 0.00 41.96 38.99 3fl8 s TYR 151 CO 0.83 -0.61 0.55 0.99 -1.57 0.00 0.00 175.55 175.74 3fl8 s THR 152 N -3.08 4.98 0.11 -0.71 2.01 -1.26 -4.61 115.64 113.08 3fl8 s THR 152 Ca 0.54 1.14 -0.21 0.00 0.31 0.00 0.00 61.69 63.48 3fl8 s THR 152 Cb -0.11 -3.88 0.05 0.00 0.01 0.00 0.00 72.50 68.57 3fl8 s THR 152 CO 0.51 0.42 0.51 -0.72 -0.69 0.00 0.00 174.62 174.66 3fl8 s TYR 153 N -0.15 -0.40 -0.02 4.92 -0.85 -1.26 -0.35 117.35 119.24 3fl8 s TYR 153 Ca 0.29 0.24 0.01 0.00 -0.52 0.00 0.00 57.07 57.09 3fl8 s TYR 153 Cb -0.17 0.39 0.02 0.00 0.38 0.00 0.00 41.96 42.58 3fl8 s TYR 153 CO 0.15 -0.74 -0.02 0.71 -1.52 0.00 0.00 175.55 174.14 3fl8 s TYR 154 N -3.35 0.40 -0.04 -3.49 1.51 -0.50 0.38 117.35 112.26 3fl8 s TYR 154 Ca -0.00 -0.06 -0.29 0.00 -1.01 0.00 0.00 57.07 55.71 3fl8 s TYR 154 Cb 0.00 -0.39 -0.03 0.00 -0.11 0.00 0.00 41.96 41.43 3fl8 s TYR 154 CO -0.09 -0.10 0.93 0.71 -1.11 0.00 0.00 175.55 175.90 3fl8 s TYR 155 N 0.62 3.60 -0.02 2.71 1.51 0.68 -1.03 117.35 125.42 3fl8 s TYR 155 Ca -0.07 1.58 0.06 0.00 -1.01 0.00 0.00 57.07 57.64 3fl8 s TYR 155 Cb -0.10 -3.08 -0.01 0.00 -0.11 0.00 0.00 41.96 38.66 3fl8 s TYR 155 CO -0.01 -0.05 -0.20 -1.01 -1.11 0.00 0.00 175.55 173.17 3fl8 s HIS 156 N 1.24 1.85 -0.08 2.71 3.76 0.40 -1.31 115.29 123.86 3fl8 s HIS 156 Ca 0.48 -0.39 0.04 0.00 -0.15 0.00 0.00 55.06 55.04 3fl8 s HIS 156 Cb -0.20 -1.20 0.00 0.00 1.11 0.00 0.00 32.58 32.29 3fl8 s HIS 156 CO 0.24 -0.06 -0.21 0.08 -0.85 0.00 0.00 174.74 173.93 3fl8 s VAL 157 N -0.39 1.80 0.11 -0.90 1.01 -0.42 -0.31 120.40 121.31 3fl8 s VAL 157 Ca 0.05 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.24 3fl8 s VAL 157 Cb -0.09 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3fl8 s VAL 157 CO -0.00 0.50 -0.21 -0.31 0.00 0.00 0.00 175.10 175.08 3fl8 s TYR 158 N 0.31 1.82 0.19 5.22 2.02 0.86 -1.38 117.35 126.38 3fl8 s TYR 158 Ca -0.14 -0.42 0.03 0.00 -0.37 0.00 0.00 57.07 56.17 3fl8 s TYR 158 Cb -0.16 -0.99 -0.05 0.00 -0.40 0.00 0.00 41.96 40.36 3fl8 s TYR 158 CO 0.06 0.23 -0.02 -1.21 -1.57 0.00 0.00 175.55 173.04 3fl8 s GLU 159 N -2.00 1.18 0.24 -0.62 2.02 -0.10 -1.17 118.70 118.24 3fl8 s GLU 159 Ca 0.08 -1.57 -0.31 0.00 0.02 0.00 0.00 54.97 53.19 3fl8 s GLU 159 Cb -0.10 -0.47 -0.13 0.00 0.10 0.00 0.00 34.13 33.54 3fl8 s GLU 159 CO 0.05 -0.08 1.39 1.63 0.02 0.00 0.00 175.26 178.28 3fl8 n LYS 160 N -0.29 2.01 -2.24 1.61 4.76 -1.24 -0.13 118.16 122.63 3fl8 n LYS 160 Ca -0.07 0.71 -0.41 0.00 -2.87 0.00 0.00 58.31 55.68 3fl8 n LYS 160 Cb 0.63 -2.36 -0.03 0.00 -1.84 0.00 0.00 35.03 31.43 3fl8 n LYS 160 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 3fl8 s GLN 161 N -0.46 4.42 0.25 1.97 -2.07 -0.53 -4.64 119.66 118.61 3fl8 s GLN 161 Ca 0.68 2.05 -0.27 0.00 -1.82 0.00 0.00 55.36 56.00 3fl8 s GLN 161 Cb -0.65 -3.16 -0.09 0.00 -1.09 0.00 0.00 33.01 28.01 3fl8 s GLN 161 CO 0.50 -0.16 0.88 -0.65 -1.32 0.00 0.00 175.29 174.54 3fl8 s GLN 162 N -0.74 4.65 -0.01 9.60 -1.52 -1.26 -4.95 119.66 125.43 3fl8 s GLN 162 Ca 0.53 1.30 -0.30 0.00 -1.95 0.00 0.00 55.36 54.94 3fl8 s GLN 162 Cb -0.36 -3.09 -0.03 0.00 -0.22 0.00 0.00 33.01 29.30 3fl8 s GLN 162 CO 0.42 0.45 1.04 -0.51 -0.25 0.00 0.00 175.29 176.45 3fl8 s LEU 163 N -1.51 4.34 -0.46 2.90 1.43 -1.26 -5.01 118.68 119.11 3fl8 s LEU 163 Ca 0.43 1.72 -0.18 0.00 -1.03 0.00 0.00 54.13 55.07 3fl8 s LEU 163 Cb -0.22 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.47 3fl8 s LEU 163 CO 0.27 -0.36 0.51 -0.69 0.23 0.00 0.00 176.35 176.31 3fl8 s VAL 164 N 1.29 5.02 0.73 -1.59 1.01 -1.26 -5.06 120.40 120.54 3fl8 s VAL 164 Ca 0.53 -0.50 -0.16 0.00 0.00 0.00 0.00 61.98 61.86 3fl8 s VAL 164 Cb -0.22 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.03 3fl8 s VAL 164 CO 0.26 -0.60 1.18 -2.65 0.00 0.00 0.00 175.10 173.29 3fl8 n PRO 165 N 5.78 0.60 0.00 2.72 -0.02 -1.26 -5.34 135.00 137.48 3fl8 n PRO 165 Ca -0.08 0.27 0.14 0.00 -2.02 0.00 0.00 63.50 61.81 3fl8 n PRO 165 Cb 0.46 -2.42 0.50 0.00 -0.02 0.00 0.00 33.50 32.02 3fl8 n PRO 165 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37