#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sql s ASP 2 N 0.00 3.93 -0.00 1.61 1.01 -1.26 -4.92 116.67 117.04 1sql s ASP 2 Ca 0.00 1.53 -0.24 0.00 0.71 0.00 0.00 52.55 54.55 1sql s ASP 2 Cb 0.00 -2.23 0.05 0.00 1.01 0.00 0.00 42.92 41.75 1sql s ASP 2 CO 0.00 -2.35 0.54 -1.59 0.21 0.00 0.00 175.17 171.97 1sql s LYS 3 N -4.97 0.97 -0.07 8.23 -2.85 -1.25 -2.04 119.74 117.76 1sql s LYS 3 Ca 0.62 -0.03 -0.13 0.00 -1.00 0.00 0.00 55.97 55.43 1sql s LYS 3 Cb -0.17 0.45 -0.05 0.00 -2.06 0.00 0.00 37.83 35.99 1sql s LYS 3 CO 0.56 -0.32 0.34 -0.51 0.10 0.00 0.00 175.35 175.52 1sql s LEU 4 N -1.53 4.39 -0.11 2.77 1.43 0.18 -4.92 118.68 120.90 1sql s LEU 4 Ca -0.09 0.75 0.03 0.00 -1.03 0.00 0.00 54.13 53.79 1sql s LEU 4 Cb -0.01 -2.45 -0.00 0.00 0.03 0.00 0.00 46.19 43.76 1sql s LEU 4 CO 0.04 0.27 -0.22 -0.63 0.23 0.00 0.00 176.35 176.03 1sql s ILE 5 N -0.59 2.19 -0.29 -0.59 -1.09 -1.26 -1.30 121.20 118.27 1sql s ILE 5 Ca 0.21 -0.97 0.02 0.00 -2.23 0.00 0.00 60.65 57.68 1sql s ILE 5 Cb -0.15 -1.85 0.08 0.00 -1.58 0.00 0.00 42.46 38.96 1sql s ILE 5 CO 0.09 0.55 0.00 -0.76 -1.23 0.00 0.00 174.94 173.60 1sql s LEU 6 N 0.40 3.39 -0.08 2.97 1.02 -0.41 -5.02 118.68 120.95 1sql s LEU 6 Ca -0.17 -1.63 -0.00 0.00 0.02 0.00 0.00 54.13 52.35 1sql s LEU 6 Cb -0.17 -1.33 -0.03 0.00 0.02 0.00 0.00 46.19 44.68 1sql s LEU 6 CO 0.07 -0.31 -0.04 -0.75 0.02 0.00 0.00 176.35 175.34 1sql s LYS 7 N 1.22 2.90 -1.37 1.70 2.20 -1.26 -0.78 119.74 124.36 1sql s LYS 7 Ca 0.02 -0.50 -0.08 0.00 -0.36 0.00 0.00 55.97 55.06 1sql s LYS 7 Cb -0.19 -2.68 0.03 0.00 -1.51 0.00 0.00 37.83 33.48 1sql s LYS 7 CO -0.10 0.64 1.04 0.41 -0.36 0.00 0.00 175.35 176.98 1sql n GLY 8 N 2.31 -0.47 3.66 5.54 0.00 -1.19 -4.93 105.19 110.12 1sql n GLY 8 Ca -0.18 0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1sql n GLY 8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sql s LEU 9 N -7.07 4.21 -0.28 0.99 1.43 0.10 -4.78 118.68 113.28 1sql s LEU 9 Ca 0.44 1.90 -0.10 0.00 -1.03 0.00 0.00 54.13 55.34 1sql s LEU 9 Cb -0.20 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 1sql s LEU 9 CO 0.77 -0.88 0.14 -0.75 0.23 0.00 0.00 176.35 175.86 1sql s LYS 10 N 3.84 3.71 0.02 1.70 2.20 -1.26 -0.73 119.74 129.22 1sql s LYS 10 Ca 0.64 -0.47 0.02 0.00 -0.36 0.00 0.00 55.97 55.80 1sql s LYS 10 Cb -0.27 -3.53 -0.02 0.00 -1.51 0.00 0.00 37.83 32.50 1sql s LYS 10 CO 0.22 -0.24 -0.07 -0.06 -0.36 0.00 0.00 175.35 174.84 1sql s PHE 11 N 1.68 0.62 -0.18 4.03 0.08 -0.96 -4.98 117.98 118.28 1sql s PHE 11 Ca 0.06 -0.31 -0.15 0.00 0.12 0.00 0.00 56.93 56.65 1sql s PHE 11 Cb -0.16 -0.38 -0.04 0.00 -0.57 0.00 0.00 43.02 41.87 1sql s PHE 11 CO 0.07 -0.04 0.37 -0.47 -0.10 0.00 0.00 175.22 175.05 1sql s TYR 12 N -0.79 3.42 0.22 0.36 6.14 -1.26 -0.58 117.35 124.87 1sql s TYR 12 Ca -0.04 0.63 0.05 0.00 0.64 0.00 0.00 57.07 58.35 1sql s TYR 12 Cb -0.06 -2.46 -0.02 0.00 0.42 0.00 0.00 41.96 39.84 1sql s TYR 12 CO 0.00 0.10 0.17 0.41 0.64 0.00 0.00 175.55 176.87 1sql n GLY 13 N 3.67 3.34 2.11 8.97 0.00 -0.37 -4.47 105.19 118.44 1sql n GLY 13 Ca -0.10 -1.85 -0.14 0.00 0.00 0.00 0.00 46.02 43.94 1sql n GLY 13 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sql n PHE 14 N -0.44 2.02 -3.39 1.61 3.01 -1.26 -1.26 117.46 117.75 1sql n PHE 14 Ca 0.04 -2.08 -0.34 0.00 1.01 0.00 0.00 57.45 56.08 1sql n PHE 14 Cb 0.39 -0.30 -0.06 0.00 -0.01 0.00 0.00 39.48 39.51 1sql n PHE 14 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1sql s HIS 15 N -3.50 3.51 0.00 1.38 3.76 -1.26 -3.99 115.29 115.20 1sql s HIS 15 Ca 0.43 0.97 0.00 0.00 -0.15 0.00 0.00 55.06 56.30 1sql s HIS 15 Cb 0.38 -2.31 0.00 0.00 1.11 0.00 0.00 32.58 31.76 1sql s HIS 15 CO 0.00 0.34 0.00 0.41 -0.85 0.00 0.00 174.74 174.65 1sql n GLY 16 N 0.32 3.01 0.10 -2.22 0.00 -0.90 -4.71 105.19 100.79 1sql n GLY 16 Ca -0.02 -0.72 -0.02 0.00 0.00 0.00 0.00 46.02 45.26 1sql n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sql h ALA 17 N 0.00 0.61 -2.38 4.61 0.00 -1.81 -3.38 119.26 116.91 1sql h ALA 17 Ca 0.00 -0.79 -0.57 0.00 0.00 0.00 0.00 54.91 53.56 1sql h ALA 17 Cb 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1sql h ALA 17 CO 0.00 0.96 0.41 0.42 0.00 0.00 0.00 179.25 181.04 1sql s ILE 18 N -2.85 4.87 0.29 0.00 -1.09 -1.26 -4.95 121.20 116.20 1sql s ILE 18 Ca 0.00 1.76 -0.02 0.00 -2.23 0.00 0.00 60.65 60.16 1sql s ILE 18 Cb 0.08 -4.19 0.38 0.00 -1.58 0.00 0.00 42.46 37.15 1sql s ILE 18 CO 0.79 0.05 1.59 0.00 -1.23 0.00 0.00 174.94 176.15 1sql h ALA 19 N 7.16 1.00 -0.21 9.38 0.00 -2.02 0.18 119.26 134.76 1sql h ALA 19 Ca -0.32 0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1sql h ALA 19 Cb 1.15 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 1sql h ALA 19 CO 0.83 -0.50 0.15 0.93 0.00 0.00 0.00 179.25 180.66 1sql h GLU 20 N 0.04 0.01 -0.01 0.00 3.07 -1.96 -1.83 114.58 113.90 1sql h GLU 20 Ca 0.53 -0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.32 1sql h GLU 20 Cb 1.02 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.92 1sql h GLU 20 CO -0.85 0.00 -0.32 0.93 -1.40 0.00 0.00 179.01 177.38 1sql h GLU 21 N 0.01 0.01 0.00 2.33 5.08 -1.00 -2.04 114.58 118.97 1sql h GLU 21 Ca 0.10 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1sql h GLU 21 Cb 0.39 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1sql h GLU 21 CO -0.00 0.33 0.00 0.54 -1.00 0.00 0.00 179.01 178.88 1sql n ARG 22 N -4.16 0.09 -0.00 2.33 1.74 -0.69 -1.26 116.66 114.72 1sql n ARG 22 Ca -0.02 0.14 0.01 0.00 -0.77 0.00 0.00 57.85 57.21 1sql n ARG 22 Cb 0.36 -1.62 -0.02 0.00 -1.02 0.00 0.00 32.46 30.17 1sql n ARG 22 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1sql n THR 23 N -1.77 0.00 -0.10 0.55 -2.24 -1.08 -4.71 114.28 104.92 1sql n THR 23 Ca 0.06 -0.42 -0.13 0.00 -2.27 0.00 0.00 64.05 61.28 1sql n THR 23 Cb 0.33 0.98 -0.10 0.00 -2.10 0.00 0.00 70.33 69.44 1sql n THR 23 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1sql n LEU 24 N -1.08 2.59 -0.03 3.22 7.94 -0.79 -5.12 117.00 123.73 1sql n LEU 24 Ca 0.00 -0.10 0.00 0.00 -1.11 0.00 0.00 56.01 54.81 1sql n LEU 24 Cb 0.04 -0.57 -0.00 0.00 0.53 0.00 0.00 43.42 43.42 1sql n LEU 24 CO 0.05 0.79 -0.01 0.61 -1.11 0.00 0.00 177.39 177.72 1sql n GLY 25 N 2.46 -1.39 3.84 -3.96 0.00 -0.39 -5.02 105.19 100.72 1sql n GLY 25 Ca -0.35 -1.52 0.03 0.00 0.00 0.00 0.00 46.02 44.17 1sql n GLY 25 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sql s GLN 26 N -1.19 0.28 0.28 1.61 -2.07 -0.39 -4.98 119.66 113.20 1sql s GLN 26 Ca 0.00 -0.17 -0.15 0.00 -1.82 0.00 0.00 55.36 53.22 1sql s GLN 26 Cb 0.00 0.08 -0.08 0.00 -1.09 0.00 0.00 33.01 31.92 1sql s GLN 26 CO 0.00 -0.13 0.70 -1.64 -1.32 0.00 0.00 175.29 172.90 1sql s MET 27 N -2.11 4.02 0.12 9.60 -1.94 -1.26 -1.24 119.30 126.49 1sql s MET 27 Ca 0.24 0.64 0.07 0.00 -1.71 0.00 0.00 55.69 54.92 1sql s MET 27 Cb 0.02 -2.58 -0.04 0.00 2.01 0.00 0.00 34.83 34.25 1sql s MET 27 CO -0.03 0.24 -0.15 -0.06 -0.01 0.00 0.00 175.02 175.01 1sql s PHE 28 N -1.84 1.50 -0.07 -0.03 0.40 0.26 -4.32 117.98 113.88 1sql s PHE 28 Ca 0.50 -0.52 0.05 0.00 -0.60 0.00 0.00 56.93 56.36 1sql s PHE 28 Cb -0.12 -0.78 -0.01 0.00 0.51 0.00 0.00 43.02 42.62 1sql s PHE 28 CO 0.19 0.18 -0.23 -0.51 0.70 0.00 0.00 175.22 175.54 1sql s LEU 29 N -2.37 2.18 -0.06 -0.37 1.02 0.23 -2.27 118.68 117.04 1sql s LEU 29 Ca 0.09 -0.48 0.01 0.00 0.02 0.00 0.00 54.13 53.77 1sql s LEU 29 Cb -0.06 -1.41 0.02 0.00 0.02 0.00 0.00 46.19 44.76 1sql s LEU 29 CO 0.04 0.23 -0.05 -0.69 0.02 0.00 0.00 176.35 175.90 1sql s VAL 30 N -0.09 0.62 -0.09 -1.59 1.01 0.09 -0.44 120.40 119.92 1sql s VAL 30 Ca -0.05 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1sql s VAL 30 Cb -0.14 -0.66 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 1sql s VAL 30 CO 0.04 0.26 -0.16 -1.81 0.00 0.00 0.00 175.10 173.43 1sql s ASP 31 N 1.17 3.82 -0.06 3.32 1.01 0.16 -0.72 116.67 125.36 1sql s ASP 31 Ca -0.07 -0.32 0.01 0.00 0.71 0.00 0.00 52.55 52.87 1sql s ASP 31 Cb -0.14 -1.22 0.02 0.00 1.01 0.00 0.00 42.92 42.59 1sql s ASP 31 CO -0.01 0.24 -0.04 -0.63 0.21 0.00 0.00 175.17 174.93 1sql s ILE 32 N -0.10 0.60 -0.23 0.77 1.01 0.04 -0.91 121.20 122.38 1sql s ILE 32 Ca -0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 60.65 60.50 1sql s ILE 32 Cb -0.14 -0.64 0.03 0.00 0.01 0.00 0.00 42.46 41.72 1sql s ILE 32 CO 0.04 0.25 -0.11 -1.81 0.00 0.00 0.00 174.94 173.32 1sql s ASP 33 N 1.17 4.03 -0.27 3.58 -0.00 -0.11 -1.29 116.67 123.77 1sql s ASP 33 Ca -0.07 -0.90 -0.06 0.00 -0.00 0.00 0.00 52.55 51.53 1sql s ASP 33 Cb -0.14 -1.60 0.00 0.00 -0.00 0.00 0.00 42.92 41.19 1sql s ASP 33 CO -0.01 -0.10 0.04 0.00 -0.00 0.00 0.00 175.17 175.10 1sql s ALA 34 N 1.28 3.00 -0.17 5.23 0.00 -0.42 -0.83 121.76 129.85 1sql s ALA 34 Ca -0.00 -1.35 -0.29 0.00 0.00 0.00 0.00 51.96 50.32 1sql s ALA 34 Cb -0.16 -2.01 -0.00 0.00 0.00 0.00 0.00 23.12 20.94 1sql s ALA 34 CO -0.07 -0.75 1.06 -1.58 0.00 0.00 0.00 175.76 174.42 1sql s TRP 35 N 1.50 3.34 -0.18 0.00 0.51 0.26 -0.65 118.94 123.73 1sql s TRP 35 Ca 0.04 1.45 -0.28 0.00 -2.12 0.00 0.00 56.10 55.19 1sql s TRP 35 Cb -0.16 -3.27 0.08 0.00 -0.81 0.00 0.00 33.47 29.31 1sql s TRP 35 CO 0.01 -0.56 0.77 0.14 -0.51 0.00 0.00 176.95 176.80 1sql s VAL 36 N 2.76 0.00 -0.06 4.03 -7.23 -0.86 -0.38 120.40 118.66 1sql s VAL 36 Ca 0.47 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.34 1sql s VAL 36 Cb -0.17 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.74 1sql s VAL 36 CO 0.12 0.00 1.18 -0.55 -0.31 0.00 0.00 175.10 175.54 1sql s SER 37 N -0.38 7.08 0.00 4.85 0.15 -1.26 -3.97 113.70 120.16 1sql s SER 37 Ca -0.04 1.79 0.16 0.00 0.70 0.00 0.00 55.95 58.55 1sql s SER 37 Cb -0.03 -2.56 0.09 0.00 -1.71 0.00 0.00 66.02 61.82 1sql s SER 37 CO 0.04 -0.56 0.95 0.18 1.20 0.00 0.00 173.24 175.05 1sql n LEU 38 N 5.13 2.13 -0.28 3.45 4.77 -1.26 -4.65 117.00 126.29 1sql n LEU 38 Ca 0.11 -0.95 -0.05 0.00 -0.03 0.00 0.00 56.01 55.09 1sql n LEU 38 Cb 0.46 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.62 1sql n LEU 38 CO 0.55 0.39 1.18 0.50 -1.33 0.00 0.00 177.39 178.67 1sql h LYS 39 N 2.75 1.04 0.02 3.23 3.64 -1.95 0.05 116.57 125.35 1sql h LYS 39 Ca 0.00 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1sql h LYS 39 Cb 0.62 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1sql h LYS 39 CO 0.00 0.71 -0.16 -0.22 -2.27 0.00 0.00 179.45 177.51 1sql h LYS 40 N 1.06 -0.27 -0.75 1.90 3.64 -1.89 -1.40 116.57 118.86 1sql h LYS 40 Ca 0.28 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.65 1sql h LYS 40 Cb -0.08 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1sql h LYS 40 CO -0.06 -0.18 0.35 0.00 -2.27 0.00 0.00 179.45 177.30 1sql h ALA 41 N 0.64 1.20 0.00 5.00 0.00 -1.67 -1.86 119.26 122.56 1sql h ALA 41 Ca 0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1sql h ALA 41 Cb 0.33 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1sql h ALA 41 CO -0.14 0.61 -0.00 0.78 0.00 0.00 0.00 179.25 180.50 1sql h GLY 42 N 1.12 0.00 0.08 0.00 0.00 -0.39 0.30 103.07 104.18 1sql h GLY 42 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1sql h GLY 42 CO -0.03 0.00 -1.86 1.18 0.00 0.00 0.00 176.54 175.83 1sql n GLU 43 N -3.10 0.62 -0.05 4.80 1.02 -0.58 -4.52 120.64 118.83 1sql n GLU 43 Ca -0.02 -0.16 -0.01 0.00 -0.02 0.00 0.00 57.16 56.95 1sql n GLU 43 Cb 0.17 -1.54 -0.13 0.00 -0.02 0.00 0.00 31.44 29.92 1sql n GLU 43 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1sql n SER 44 N -2.25 1.18 -1.83 1.62 3.41 -0.76 -5.00 113.62 109.99 1sql n SER 44 Ca -0.03 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.41 1sql n SER 44 Cb 0.55 1.26 -0.02 0.00 -0.26 0.00 0.00 64.21 65.74 1sql n SER 44 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1sql n ASP 45 N -2.36 -5.05 -4.37 4.04 2.03 0.10 -4.99 116.55 105.94 1sql n ASP 45 Ca -0.16 0.07 -0.37 0.00 0.52 0.00 0.00 54.79 54.86 1sql n ASP 45 Cb 0.76 -4.13 -0.13 0.00 -0.72 0.00 0.00 41.12 36.91 1sql n ASP 45 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1sql s ASN 46 N -2.34 5.01 0.54 1.67 2.47 -1.26 -5.00 114.94 116.03 1sql s ASN 46 Ca 0.00 -0.49 0.28 0.00 0.42 0.00 0.00 52.86 53.07 1sql s ASN 46 Cb 0.00 -1.87 1.44 0.00 -1.45 0.00 0.00 41.25 39.37 1sql s ASN 46 CO 0.00 -0.11 1.95 0.25 -3.72 0.00 0.00 177.10 175.47 1sql h LEU 47 N 8.22 0.00 -1.41 3.21 7.12 -1.94 0.00 115.31 130.51 1sql h LEU 47 Ca -0.35 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.66 1sql h LEU 47 Cb 1.15 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.28 1sql h LEU 47 CO 0.60 0.00 0.00 -0.33 -0.13 0.00 0.00 178.44 178.58 1sql h GLU 48 N 0.00 0.00 -0.00 1.25 5.08 -2.00 -2.15 114.58 116.75 1sql h GLU 48 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1sql h GLU 48 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1sql h GLU 48 CO -0.00 0.00 -0.07 -0.25 -1.00 0.00 0.00 179.01 177.68 1sql n ASP 49 N -2.61 0.57 -1.72 1.42 8.00 -0.01 -4.88 116.55 117.32 1sql n ASP 49 Ca 0.00 -0.82 -0.05 0.00 0.71 0.00 0.00 54.79 54.64 1sql n ASP 49 Cb 0.19 -0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.23 1sql n ASP 49 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1sql n THR 50 N -0.76 0.00 -4.61 -3.53 5.66 -0.81 -4.17 114.28 106.06 1sql n THR 50 Ca 0.17 -0.50 -0.33 0.00 -3.05 0.00 0.00 64.05 60.34 1sql n THR 50 Cb 0.26 0.22 -0.16 0.00 -1.55 0.00 0.00 70.33 69.10 1sql n THR 50 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 1sql s ILE 51 N -2.07 2.36 0.11 1.09 1.10 -1.26 -4.99 121.20 117.54 1sql s ILE 51 Ca 0.06 -0.88 -0.31 0.00 -0.51 0.00 0.00 60.65 59.02 1sql s ILE 51 Cb 0.00 -1.97 -0.10 0.00 0.15 0.00 0.00 42.46 40.54 1sql s ILE 51 CO 0.04 0.53 1.82 -0.55 -2.11 0.00 0.00 174.94 174.68 1sql s SER 52 N 0.81 6.44 0.10 4.50 0.15 -1.26 -4.85 113.70 119.59 1sql s SER 52 Ca -0.06 2.73 0.15 0.00 0.70 0.00 0.00 55.95 59.47 1sql s SER 52 Cb -0.15 -2.56 0.68 0.00 -1.71 0.00 0.00 66.02 62.27 1sql s SER 52 CO -0.01 -1.00 1.48 0.00 1.20 0.00 0.00 173.24 174.92 1sql n TYR 53 N 5.80 0.30 0.08 3.44 -0.00 -1.26 -1.66 117.16 123.85 1sql n TYR 53 Ca 0.18 0.13 -0.17 0.00 -0.00 0.00 0.00 57.90 58.03 1sql n TYR 53 Cb 0.39 -0.70 -0.09 0.00 -0.00 0.00 0.00 39.34 38.93 1sql n TYR 53 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.86 176.62 1sql h VAL 54 N 0.00 1.37 -0.12 -3.48 3.04 -1.99 -1.14 116.25 113.94 1sql h VAL 54 Ca 0.00 -2.54 -0.13 0.00 -1.01 0.00 0.00 66.70 63.02 1sql h VAL 54 Cb 0.22 2.59 -0.01 0.00 -2.01 0.00 0.00 31.29 32.08 1sql h VAL 54 CO 0.00 0.76 -0.49 0.44 -1.01 0.00 0.00 177.57 177.27 1sql h ASP 55 N 0.23 0.33 -0.22 3.17 3.32 -1.70 0.12 116.42 121.67 1sql h ASP 55 Ca -0.13 -0.16 -0.18 0.00 0.02 0.00 0.00 57.03 56.58 1sql h ASP 55 Cb 1.76 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 41.22 1sql h ASP 55 CO 0.20 0.77 -0.55 0.40 -1.72 0.00 0.00 179.24 178.33 1sql h ILE 56 N 0.24 1.28 0.03 0.35 2.04 -1.49 -1.48 117.51 118.48 1sql h ILE 56 Ca 0.01 -1.75 -0.00 0.00 1.00 0.00 0.00 64.86 64.12 1sql h ILE 56 Cb 0.96 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 1sql h ILE 56 CO 0.08 0.57 -0.01 0.15 0.00 0.00 0.00 178.15 178.93 1sql h PHE 57 N 0.63 -0.03 -0.82 1.37 3.57 -0.95 -1.99 116.94 118.72 1sql h PHE 57 Ca 0.01 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.58 1sql h PHE 57 Cb 1.15 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.84 1sql h PHE 57 CO 0.07 0.09 0.49 1.03 -2.23 0.00 0.00 178.31 177.76 1sql h SER 58 N -0.15 0.75 -0.66 0.41 0.87 -0.73 0.09 113.55 114.14 1sql h SER 58 Ca -0.00 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1sql h SER 58 Cb 0.14 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 1sql h SER 58 CO 0.01 0.47 0.35 0.25 -0.53 0.00 0.00 176.83 177.38 1sql h LEU 59 N 0.88 0.83 -0.37 2.23 6.46 -1.09 -1.38 115.31 122.87 1sql h LEU 59 Ca 0.37 -0.10 -0.03 0.00 -0.12 0.00 0.00 57.88 58.00 1sql h LEU 59 Cb 0.22 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 1sql h LEU 59 CO -0.19 0.69 0.11 0.00 -0.62 0.00 0.00 178.44 178.43 1sql h ALA 60 N 1.17 0.49 0.26 1.25 0.00 -0.50 -2.61 119.26 119.32 1sql h ALA 60 Ca 0.23 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1sql h ALA 60 Cb 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1sql h ALA 60 CO -0.04 0.14 -0.26 -0.22 0.00 0.00 0.00 179.25 178.88 1sql h LYS 61 N 0.46 -0.53 -0.73 0.00 3.64 -0.76 -0.72 116.57 117.92 1sql h LYS 61 Ca 0.12 0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.68 1sql h LYS 61 Cb 0.27 0.12 -0.10 0.00 -0.41 0.00 0.00 32.23 32.11 1sql h LYS 61 CO -0.00 -0.35 0.25 0.93 -2.27 0.00 0.00 179.45 178.01 1sql h GLU 62 N -0.55 0.37 0.34 1.90 5.08 -1.18 -0.86 114.58 119.68 1sql h GLU 62 Ca -0.01 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1sql h GLU 62 Cb 0.51 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1sql h GLU 62 CO -0.05 0.24 -0.16 0.82 -1.00 0.00 0.00 179.01 178.86 1sql h ILE 63 N 0.38 0.63 -0.74 3.13 1.08 -1.23 -1.79 117.51 118.97 1sql h ILE 63 Ca 0.40 -0.57 0.04 0.00 -0.39 0.00 0.00 64.86 64.35 1sql h ILE 63 Cb 0.64 0.90 -0.04 0.00 -3.07 0.00 0.00 36.82 35.24 1sql h ILE 63 CO -0.43 0.10 0.49 0.58 -0.69 0.00 0.00 178.15 178.20 1sql h VAL 64 N -0.79 1.08 -0.17 1.67 2.07 -0.79 0.68 116.25 120.00 1sql h VAL 64 Ca -0.05 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1sql h VAL 64 Cb 0.52 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1sql h VAL 64 CO 0.08 0.16 0.00 -0.62 0.02 0.00 0.00 177.57 177.20 1sql n GLU 65 N -4.46 1.76 0.00 1.57 1.02 -0.36 -4.42 120.64 115.75 1sql n GLU 65 Ca 0.10 -1.15 0.00 0.00 -0.02 0.00 0.00 57.16 56.09 1sql n GLU 65 Cb 0.16 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 1sql n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sql n GLY 66 N 1.15 -1.55 3.68 0.62 0.00 0.23 -4.93 105.19 104.39 1sql n GLY 66 Ca 0.16 -1.51 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 1sql n GLY 66 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sql n SER 67 N -0.37 2.65 -4.72 1.61 7.64 -1.26 -4.74 113.62 114.42 1sql n SER 67 Ca 0.00 1.18 -0.42 0.00 1.01 0.00 0.00 58.87 60.64 1sql n SER 67 Cb 0.00 -1.45 -0.03 0.00 -1.01 0.00 0.00 64.21 61.72 1sql n SER 67 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1sql s PRO 68 N -1.30 4.29 0.39 1.43 0.04 -1.26 -4.96 135.00 133.63 1sql s PRO 68 Ca 0.60 2.19 0.08 0.00 0.04 0.00 0.00 61.00 63.91 1sql s PRO 68 Cb -0.61 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 30.69 1sql s PRO 68 CO 0.57 -0.47 0.17 1.03 0.04 0.00 0.00 177.00 178.35 1sql s ARG 69 N 0.76 2.27 -0.01 4.56 1.81 -1.26 -4.99 118.95 122.09 1sql s ARG 69 Ca 0.65 -1.73 -0.17 0.00 -1.72 0.00 0.00 55.73 52.75 1sql s ARG 69 Cb -0.40 -2.06 -0.33 0.00 -0.45 0.00 0.00 34.95 31.71 1sql s ARG 69 CO 0.33 -0.04 0.88 -0.91 -0.68 0.00 0.00 175.30 174.88 1sql h ASN 70 N 1.46 0.68 -3.69 0.23 2.35 -1.94 -2.39 115.58 112.27 1sql h ASN 70 Ca -0.43 -0.93 -0.67 0.00 -0.55 0.00 0.00 56.30 53.72 1sql h ASN 70 Cb 1.25 -0.22 -0.18 0.00 0.05 0.00 0.00 38.32 39.22 1sql h ASN 70 CO 0.67 1.64 -0.77 -0.76 -1.65 0.00 0.00 177.43 176.55 1sql s LEU 71 N -7.63 2.84 0.45 1.61 1.43 -1.26 -2.58 118.68 113.53 1sql s LEU 71 Ca -0.12 -0.45 0.14 0.00 -1.03 0.00 0.00 54.13 52.66 1sql s LEU 71 Cb 0.03 -1.66 1.00 0.00 0.03 0.00 0.00 46.19 45.59 1sql s LEU 71 CO 0.89 0.19 2.01 -0.07 0.23 0.00 0.00 176.35 179.60 1sql h LEU 72 N 3.85 0.05 -0.66 1.79 3.38 -1.96 -1.99 115.31 119.77 1sql h LEU 72 Ca -0.49 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.51 1sql h LEU 72 Cb 1.17 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 1sql h LEU 72 CO 0.49 0.19 0.39 -0.33 0.09 0.00 0.00 178.44 179.28 1sql h GLU 73 N 0.06 0.73 -0.21 1.13 3.07 -1.95 0.11 114.58 117.52 1sql h GLU 73 Ca 0.01 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.80 1sql h GLU 73 Cb 0.27 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 1sql h GLU 73 CO 0.02 0.48 0.03 1.15 -1.40 0.00 0.00 179.01 179.29 1sql h THR 74 N 0.75 1.23 -0.23 1.13 2.02 -1.79 -2.01 112.91 114.02 1sql h THR 74 Ca 0.28 -0.76 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 1sql h THR 74 Cb 0.09 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1sql h THR 74 CO -0.14 0.24 0.06 0.58 0.37 0.00 0.00 175.52 176.63 1sql h VAL 75 N 0.13 1.20 -0.65 3.16 2.07 -1.18 -1.32 116.25 119.66 1sql h VAL 75 Ca 0.06 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 66.95 1sql h VAL 75 Cb 0.33 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1sql h VAL 75 CO 0.01 0.21 0.41 0.00 0.02 0.00 0.00 177.57 178.21 1sql h ALA 76 N 0.89 0.84 -0.88 1.67 0.00 -0.81 -0.51 119.26 120.46 1sql h ALA 76 Ca 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1sql h ALA 76 Cb 0.26 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1sql h ALA 76 CO -0.00 0.18 0.53 1.49 0.00 0.00 0.00 179.25 181.45 1sql h GLU 77 N 0.81 1.19 -0.00 0.00 4.57 -1.20 0.87 114.58 120.81 1sql h GLU 77 Ca 0.26 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1sql h GLU 77 Cb -0.01 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 28.33 1sql h GLU 77 CO -0.09 0.83 0.00 -0.07 -1.18 0.00 0.00 179.01 178.50 1sql h LEU 78 N 1.21 0.00 -0.57 1.64 4.07 -0.57 0.11 115.31 121.20 1sql h LEU 78 Ca 0.32 -0.04 0.03 0.00 0.08 0.00 0.00 57.88 58.27 1sql h LEU 78 Cb -0.06 -0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.64 1sql h LEU 78 CO -0.06 0.04 0.34 0.40 -1.08 0.00 0.00 178.44 178.08 1sql h ILE 79 N -0.04 1.04 0.36 1.22 1.08 -0.58 0.67 117.51 121.26 1sql h ILE 79 Ca 0.00 -0.23 -0.02 0.00 -0.39 0.00 0.00 64.86 64.23 1sql h ILE 79 Cb 0.04 0.33 0.00 0.00 -3.07 0.00 0.00 36.82 34.12 1sql h ILE 79 CO -0.00 0.12 -0.17 0.00 -0.69 0.00 0.00 178.15 177.41 1sql h ALA 80 N 1.26 -0.49 -0.61 1.87 0.00 -0.57 -1.21 119.26 119.52 1sql h ALA 80 Ca 0.23 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1sql h ALA 80 Cb 0.05 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1sql h ALA 80 CO -0.11 -0.62 0.11 0.66 0.00 0.00 0.00 179.25 179.28 1sql h SER 81 N -0.79 0.93 -0.57 0.00 4.64 -0.76 -1.67 113.55 115.33 1sql h SER 81 Ca -0.05 -0.20 -0.04 0.00 -0.47 0.00 0.00 61.79 61.03 1sql h SER 81 Cb 0.52 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 1sql h SER 81 CO 0.08 0.92 0.21 0.11 -0.87 0.00 0.00 176.83 177.28 1sql h LYS 82 N 0.93 0.87 -0.27 4.77 6.56 -0.89 -0.91 116.57 127.62 1sql h LYS 82 Ca 0.19 -0.17 -0.02 0.00 -1.06 0.00 0.00 60.65 59.59 1sql h LYS 82 Cb 0.39 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 31.90 1sql h LYS 82 CO 0.01 0.76 0.09 1.15 -2.06 0.00 0.00 179.45 179.40 1sql h THR 83 N 0.79 1.19 -0.61 -0.16 2.02 -0.81 -0.14 112.91 115.18 1sql h THR 83 Ca 0.19 -0.60 -0.06 0.00 0.77 0.00 0.00 66.41 66.71 1sql h THR 83 Cb 0.24 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1sql h THR 83 CO -0.01 0.20 0.16 -0.07 0.37 0.00 0.00 175.52 176.17 1sql h LEU 84 N 0.28 0.92 -0.43 2.58 3.38 -1.24 -1.66 115.31 119.14 1sql h LEU 84 Ca 0.09 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 1sql h LEU 84 Cb 0.22 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1sql h LEU 84 CO -0.00 0.91 -0.09 -0.33 0.09 0.00 0.00 178.44 179.01 1sql h GLU 85 N 0.89 0.82 -0.07 1.13 5.08 -1.02 -3.22 114.58 118.19 1sql h GLU 85 Ca 0.19 -0.31 -0.17 0.00 -1.00 0.00 0.00 59.36 58.08 1sql h GLU 85 Cb 0.34 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1sql h GLU 85 CO -0.00 0.93 -0.68 -0.22 -1.00 0.00 0.00 179.01 178.04 1sql h LYS 86 N 0.65 0.32 -3.71 2.33 3.64 -0.92 -3.40 116.57 115.47 1sql h LYS 86 Ca 0.11 -0.24 -0.66 0.00 -1.27 0.00 0.00 60.65 58.58 1sql h LYS 86 Cb 0.62 0.05 -0.39 0.00 -0.41 0.00 0.00 32.23 32.10 1sql h LYS 86 CO 0.04 0.88 -0.57 -0.06 -2.27 0.00 0.00 179.45 177.47 1sql s PHE 87 N -3.65 3.36 0.57 1.91 0.08 -0.64 -4.98 117.98 114.63 1sql s PHE 87 Ca -0.05 -2.99 0.27 0.00 0.12 0.00 0.00 56.93 54.29 1sql s PHE 87 Cb 0.11 -2.96 1.58 0.00 -0.57 0.00 0.00 43.02 41.18 1sql s PHE 87 CO 0.82 -0.81 2.09 1.25 -0.10 0.00 0.00 175.22 178.47 1sql h HIS 88 N 6.90 0.00 0.00 0.36 2.76 -1.79 -1.72 115.15 121.67 1sql h HIS 88 Ca -0.06 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 1sql h HIS 88 Cb 0.94 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.90 1sql h HIS 88 CO 0.56 0.00 0.00 1.96 -1.30 0.00 0.00 177.93 179.15 1sql h GLN 89 N 0.00 0.00 -6.39 5.26 7.50 -1.94 -3.43 115.11 116.12 1sql h GLN 89 Ca 0.10 0.00 -0.54 0.00 0.50 0.00 0.00 58.65 58.71 1sql h GLN 89 Cb 0.50 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.02 1sql h GLN 89 CO -0.00 0.00 0.60 0.42 -1.50 0.00 0.00 178.83 178.35 1sql s ILE 90 N -3.28 4.28 -0.01 2.54 1.01 -0.65 -4.69 121.20 120.40 1sql s ILE 90 Ca 0.06 1.62 -0.06 0.00 0.00 0.00 0.00 60.65 62.28 1sql s ILE 90 Cb 0.10 -4.04 -0.29 0.00 0.01 0.00 0.00 42.46 38.24 1sql s ILE 90 CO 0.50 0.06 0.81 0.78 0.00 0.00 0.00 174.94 177.09 1sql h ASN 91 N 7.11 0.47 -5.00 3.58 -0.26 -1.00 -3.45 115.58 117.03 1sql h ASN 91 Ca -0.38 -0.66 -0.02 0.00 -0.56 0.00 0.00 56.30 54.68 1sql h ASN 91 Cb 1.19 -0.15 -0.12 0.00 -1.06 0.00 0.00 38.32 38.18 1sql h ASN 91 CO 0.84 1.55 0.20 0.00 -1.06 0.00 0.00 177.43 178.96 1sql s ALA 92 N -2.60 -1.54 -0.05 -0.83 0.00 -1.24 -1.39 121.76 114.10 1sql s ALA 92 Ca -0.11 0.41 -0.03 0.00 0.00 0.00 0.00 51.96 52.23 1sql s ALA 92 Cb 0.06 0.88 0.02 0.00 0.00 0.00 0.00 23.12 24.08 1sql s ALA 92 CO 0.86 -0.78 0.12 0.54 0.00 0.00 0.00 175.76 176.50 1sql s VAL 93 N -3.76 -0.02 -0.17 0.00 0.11 0.98 -0.57 120.40 116.96 1sql s VAL 93 Ca 0.02 0.07 -0.03 0.00 -2.93 0.00 0.00 61.98 59.11 1sql s VAL 93 Cb -0.01 -0.19 -0.02 0.00 -1.53 0.00 0.00 36.38 34.64 1sql s VAL 93 CO -0.12 0.03 -0.07 -0.60 -3.33 0.00 0.00 175.10 171.01 1sql s ARG 94 N 0.47 3.45 -0.13 1.54 3.52 -0.01 -0.49 118.95 127.30 1sql s ARG 94 Ca -0.03 -0.62 0.03 0.00 -0.13 0.00 0.00 55.73 54.97 1sql s ARG 94 Cb -0.05 -2.86 0.01 0.00 -1.56 0.00 0.00 34.95 30.49 1sql s ARG 94 CO -0.02 0.05 -0.21 0.08 -0.81 0.00 0.00 175.30 174.39 1sql s VAL 95 N 0.81 1.95 -0.26 7.11 1.01 -0.28 -0.94 120.40 129.81 1sql s VAL 95 Ca -0.02 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.04 1sql s VAL 95 Cb -0.15 -1.73 0.05 0.00 0.00 0.00 0.00 36.38 34.55 1sql s VAL 95 CO 0.01 0.53 -0.08 -0.54 0.00 0.00 0.00 175.10 175.03 1sql s LYS 96 N 0.79 2.45 -0.13 2.72 1.02 -0.09 -1.45 119.74 125.05 1sql s LYS 96 Ca -0.08 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 54.69 1sql s LYS 96 Cb -0.16 -2.97 -0.01 0.00 -0.52 0.00 0.00 37.83 34.17 1sql s LYS 96 CO -0.01 -0.53 -0.14 -1.17 -0.92 0.00 0.00 175.35 172.58 1sql s LEU 97 N 1.20 2.65 0.09 3.17 2.96 -0.91 -0.67 118.68 127.17 1sql s LEU 97 Ca -0.05 -0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 53.46 1sql s LEU 97 Cb -0.19 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 1sql s LEU 97 CO -0.04 0.16 0.08 -0.44 -1.32 0.00 0.00 176.35 174.79 1sql s SER 98 N 0.38 0.30 -0.27 3.68 0.01 0.42 -1.08 113.70 117.14 1sql s SER 98 Ca -0.11 -0.94 -0.01 0.00 1.31 0.00 0.00 55.95 56.20 1sql s SER 98 Cb -0.16 0.28 0.04 0.00 0.21 0.00 0.00 66.02 66.40 1sql s SER 98 CO 0.06 -0.69 -0.05 -0.54 0.41 0.00 0.00 173.24 172.42 1sql s LYS 99 N -3.94 2.51 0.39 12.44 1.02 0.04 -0.60 119.74 131.60 1sql s LYS 99 Ca 0.11 -1.19 0.20 0.00 0.02 0.00 0.00 55.97 55.11 1sql s LYS 99 Cb 0.07 -3.04 0.76 0.00 -0.52 0.00 0.00 37.83 35.09 1sql s LYS 99 CO -0.07 -0.54 1.77 -1.00 -0.92 0.00 0.00 175.35 174.60 1sql h PRO 100 N 7.95 0.00 -4.01 -1.68 0.13 -1.79 -2.56 132.00 130.04 1sql h PRO 100 Ca -0.25 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.24 1sql h PRO 100 Cb 1.07 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.80 1sql h PRO 100 CO 0.53 0.34 -0.69 -0.80 -0.23 0.00 0.00 178.00 177.15 1sql s ASN 101 N -6.41 4.47 -0.20 1.44 0.01 -1.26 -4.51 114.94 108.48 1sql s ASN 101 Ca -0.00 -2.47 -0.21 0.00 -0.71 0.00 0.00 52.86 49.47 1sql s ASN 101 Cb 0.11 -1.54 -0.02 0.00 0.41 0.00 0.00 41.25 40.21 1sql s ASN 101 CO 0.68 -0.32 0.64 -0.69 -1.51 0.00 0.00 177.10 175.90 1sql s VAL 102 N 0.48 5.01 0.32 1.60 1.01 -1.26 -4.94 120.40 122.61 1sql s VAL 102 Ca 0.14 1.21 -0.29 0.00 0.00 0.00 0.00 61.98 63.03 1sql s VAL 102 Cb -0.22 -3.96 -0.12 0.00 0.00 0.00 0.00 36.38 32.09 1sql s VAL 102 CO -0.06 0.10 1.47 0.00 0.00 0.00 0.00 175.10 176.61 1sql n ALA 103 N 5.12 2.02 -0.10 5.51 0.00 -1.26 -2.34 120.51 129.45 1sql n ALA 103 Ca -0.01 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1sql n ALA 103 Cb 0.50 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1sql n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sql n LEU 104 N 1.41 0.02 -4.59 0.00 7.99 -1.26 -4.97 117.00 115.60 1sql n LEU 104 Ca 0.06 0.00 -0.43 0.00 -0.01 0.00 0.00 56.01 55.64 1sql n LEU 104 Cb 0.36 -0.12 -0.02 0.00 -0.11 0.00 0.00 43.42 43.53 1sql n LEU 104 CO 0.63 -0.01 1.07 -0.63 -1.51 0.00 0.00 177.39 176.94 1sql s ILE 105 N -2.70 4.08 0.22 -0.08 -1.09 -0.99 -4.91 121.20 115.74 1sql s ILE 105 Ca 0.00 1.03 -0.04 0.00 -2.23 0.00 0.00 60.65 59.41 1sql s ILE 105 Cb 0.00 -4.66 0.04 0.00 -1.58 0.00 0.00 42.46 36.25 1sql s ILE 105 CO 0.00 -1.20 1.64 0.11 -1.23 0.00 0.00 174.94 174.26 1sql h LYS 106 N 9.47 0.75 0.00 2.79 6.56 -1.93 -3.47 116.57 130.74 1sql h LYS 106 Ca -0.24 -0.30 -0.44 0.00 -1.06 0.00 0.00 60.65 58.61 1sql h LYS 106 Cb 1.06 -0.04 0.09 0.00 -0.57 0.00 0.00 32.23 32.77 1sql h LYS 106 CO 1.16 0.90 0.13 -1.13 -2.06 0.00 0.00 179.45 178.46 1sql n SER 107 N -4.11 1.20 -4.77 0.86 3.41 -1.26 -5.08 113.62 103.87 1sql n SER 107 Ca 0.00 -2.04 -0.40 0.00 -0.26 0.00 0.00 58.87 56.18 1sql n SER 107 Cb 0.43 -0.64 -0.06 0.00 -0.26 0.00 0.00 64.21 63.68 1sql n SER 107 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1sql s THR 108 N -3.00 4.39 0.30 6.66 2.01 -1.26 -5.07 115.64 119.67 1sql s THR 108 Ca 0.64 1.73 -0.08 0.00 0.31 0.00 0.00 61.69 64.29 1sql s THR 108 Cb -0.03 -4.15 0.00 0.00 0.01 0.00 0.00 72.50 68.32 1sql s THR 108 CO 0.43 0.50 0.48 0.27 -0.69 0.00 0.00 174.62 175.61 1sql s ILE 109 N -1.00 0.00 -0.16 1.82 -4.36 -1.26 -5.08 121.20 111.16 1sql s ILE 109 Ca 0.37 -1.49 -0.13 0.00 -0.26 0.00 0.00 60.65 59.14 1sql s ILE 109 Cb -0.23 -2.47 -0.07 0.00 1.25 0.00 0.00 42.46 40.94 1sql s ILE 109 CO 0.26 0.00 -0.11 0.47 0.24 0.00 0.00 174.94 175.81 1sql n ASP 110 N -0.91 1.83 -3.62 4.36 8.00 -1.26 -5.04 116.55 119.91 1sql n ASP 110 Ca -0.01 0.56 -0.02 0.00 0.71 0.00 0.00 54.79 56.03 1sql n ASP 110 Cb 0.62 -0.88 -0.02 0.00 -0.02 0.00 0.00 41.12 40.82 1sql n ASP 110 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1sql s TYR 111 N -2.32 -0.06 0.01 1.24 -0.85 -1.26 -4.49 117.35 109.62 1sql s TYR 111 Ca -0.19 0.03 0.07 0.00 -0.52 0.00 0.00 57.07 56.46 1sql s TYR 111 Cb 0.03 0.51 -0.02 0.00 0.38 0.00 0.00 41.96 42.86 1sql s TYR 111 CO 0.32 -0.12 -0.22 -0.51 -1.52 0.00 0.00 175.55 173.50 1sql s LEU 112 N -2.23 2.10 0.00 -3.49 1.43 -0.97 -4.95 118.68 110.57 1sql s LEU 112 Ca 0.11 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 1sql s LEU 112 Cb 0.00 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 45.11 1sql s LEU 112 CO -0.04 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.39 1sql n GLY 113 N 2.23 1.43 3.43 -3.19 0.00 -1.26 -0.78 105.19 107.05 1sql n GLY 113 Ca -0.16 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 44.88 1sql n GLY 113 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sql s VAL 114 N -2.43 2.23 -0.30 1.61 -7.23 -0.24 -5.00 120.40 109.05 1sql s VAL 114 Ca 0.00 -2.33 -0.01 0.00 -1.81 0.00 0.00 61.98 57.83 1sql s VAL 114 Cb 0.00 -2.21 0.13 0.00 0.56 0.00 0.00 36.38 34.86 1sql s VAL 114 CO 0.00 -0.45 0.26 -0.62 -0.31 0.00 0.00 175.10 173.98 1sql s ASP 115 N -3.41 2.09 0.14 4.85 3.68 -1.26 -2.14 116.67 120.61 1sql s ASP 115 Ca 0.27 -0.95 0.08 0.00 2.13 0.00 0.00 52.55 54.08 1sql s ASP 115 Cb -0.04 0.30 -0.04 0.00 -1.45 0.00 0.00 42.92 41.69 1sql s ASP 115 CO 0.12 -0.39 -0.12 0.27 0.13 0.00 0.00 175.17 175.17 1sql s ILE 116 N 2.22 3.12 -0.11 4.11 -4.36 -0.53 -4.98 121.20 120.66 1sql s ILE 116 Ca 0.10 -1.52 0.03 0.00 -0.26 0.00 0.00 60.65 59.00 1sql s ILE 116 Cb -0.15 -2.49 0.01 0.00 1.25 0.00 0.00 42.46 41.09 1sql s ILE 116 CO -0.32 0.01 -0.19 0.12 0.24 0.00 0.00 174.94 174.80 1sql s PHE 117 N -1.40 2.30 -0.07 1.37 5.36 -1.26 -1.13 117.98 123.15 1sql s PHE 117 Ca 0.22 -1.05 0.02 0.00 -0.96 0.00 0.00 56.93 55.15 1sql s PHE 117 Cb -0.10 -1.59 0.02 0.00 -0.34 0.00 0.00 43.02 41.01 1sql s PHE 117 CO 0.13 -0.48 -0.09 1.03 -1.46 0.00 0.00 175.22 174.34 1sql s ARG 118 N 0.72 1.43 0.12 10.12 1.81 0.36 -4.99 118.95 128.53 1sql s ARG 118 Ca -0.11 -0.30 0.04 0.00 -1.72 0.00 0.00 55.73 53.63 1sql s ARG 118 Cb -0.16 -1.28 -0.04 0.00 -0.45 0.00 0.00 34.95 33.03 1sql s ARG 118 CO 0.02 -0.05 0.13 -0.65 -0.68 0.00 0.00 175.30 174.08 1sql s GLN 119 N 0.89 2.98 -0.16 3.54 -0.21 -1.26 -0.02 119.66 125.42 1sql s GLN 119 Ca -0.11 -0.74 -0.35 0.00 0.02 0.00 0.00 55.36 54.18 1sql s GLN 119 Cb -0.15 -2.74 -0.12 0.00 1.00 0.00 0.00 33.01 31.01 1sql s GLN 119 CO 0.01 0.53 1.93 -2.13 -2.12 0.00 0.00 175.29 173.51 1sql n ARG 120 N -0.02 1.87 0.00 2.91 0.63 -0.48 -4.98 116.66 116.59 1sql n ARG 120 Ca -0.08 0.66 0.01 0.00 -0.92 0.00 0.00 57.85 57.52 1sql n ARG 120 Cb 0.53 -2.59 0.01 0.00 0.45 0.00 0.00 32.46 30.87 1sql n ARG 120 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41