#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 5.53 -0.02 1.61 1.01 -1.26 -4.99 116.67 118.55 1sql s ASP 2 Ca 0.00 1.62 -0.29 0.00 0.71 0.00 0.00 52.55 54.59 1sql s ASP 2 Cb 0.00 -2.50 0.09 0.00 1.01 0.00 0.00 42.92 41.52 1sql s ASP 2 CO 0.00 -1.34 0.76 -1.59 0.21 0.00 0.00 175.17 173.21 1sql s LYS 3 N -4.95 0.98 -0.01 8.23 -2.85 -1.26 -2.49 119.74 117.40 1sql s LYS 3 Ca 0.58 -0.02 -0.18 0.00 -1.00 0.00 0.00 55.97 55.35 1sql s LYS 3 Cb -0.14 0.46 -0.06 0.00 -2.06 0.00 0.00 37.83 36.03 1sql s LYS 3 CO 0.53 -0.36 0.50 -0.51 0.10 0.00 0.00 175.35 175.61 1sql s LEU 4 N -1.74 4.44 -0.11 2.77 1.43 0.11 -4.87 118.68 120.71 1sql s LEU 4 Ca -0.04 1.05 0.03 0.00 -1.03 0.00 0.00 54.13 54.14 1sql s LEU 4 Cb -0.00 -2.75 0.01 0.00 0.03 0.00 0.00 46.19 43.47 1sql s LEU 4 CO -0.00 0.20 -0.22 -0.63 0.23 0.00 0.00 176.35 175.93 1sql s ILE 5 N -0.56 1.95 -0.24 -0.59 1.09 -1.26 -0.13 121.20 121.46 1sql s ILE 5 Ca 0.27 -0.94 0.03 0.00 -1.10 0.00 0.00 60.65 58.91 1sql s ILE 5 Cb -0.17 -1.71 0.05 0.00 -1.06 0.00 0.00 42.46 39.56 1sql s ILE 5 CO 0.15 0.53 -0.13 -0.76 -0.10 0.00 0.00 174.94 174.64 1sql s LEU 6 N 0.61 3.17 -0.09 2.97 1.02 0.16 -5.02 118.68 121.50 1sql s LEU 6 Ca -0.13 -1.24 0.01 0.00 0.02 0.00 0.00 54.13 52.79 1sql s LEU 6 Cb -0.17 -1.53 -0.02 0.00 0.02 0.00 0.00 46.19 44.49 1sql s LEU 6 CO 0.03 -0.15 -0.11 -0.75 0.02 0.00 0.00 176.35 175.39 1sql s LYS 7 N 1.14 3.01 -1.35 1.70 2.36 -1.26 -0.73 119.74 124.62 1sql s LYS 7 Ca -0.06 -0.64 -0.02 0.00 -2.55 0.00 0.00 55.97 52.70 1sql s LYS 7 Cb -0.19 -2.58 0.01 0.00 -1.05 0.00 0.00 37.83 34.02 1sql s LYS 7 CO -0.07 0.44 0.72 0.41 1.55 0.00 0.00 175.35 178.40 1sql n GLY 8 N 2.86 -0.31 3.72 5.54 0.00 -1.23 -4.94 105.19 110.83 1sql n GLY 8 Ca -0.18 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 -6.78 4.41 -0.27 0.99 1.43 -0.44 -4.81 118.68 113.20 1sql s LEU 9 Ca 0.10 1.80 -0.06 0.00 -1.03 0.00 0.00 54.13 54.94 1sql s LEU 9 Cb -0.05 -3.58 -0.00 0.00 0.03 0.00 0.00 46.19 42.59 1sql s LEU 9 CO 0.82 -0.25 0.05 -0.54 0.23 0.00 0.00 176.35 176.66 1sql s LYS 10 N 0.64 3.29 0.05 1.70 1.02 -1.26 -0.49 119.74 124.70 1sql s LYS 10 Ca 0.52 -0.71 0.06 0.00 0.02 0.00 0.00 55.97 55.86 1sql s LYS 10 Cb -0.24 -3.27 -0.03 0.00 -0.52 0.00 0.00 37.83 33.78 1sql s LYS 10 CO 0.29 -0.32 -0.18 -0.06 -0.92 0.00 0.00 175.35 174.16 1sql s PHE 11 N 1.52 1.55 -0.20 3.18 0.08 -0.53 -4.95 117.98 118.63 1sql s PHE 11 Ca 0.04 -0.38 -0.12 0.00 0.12 0.00 0.00 56.93 56.59 1sql s PHE 11 Cb -0.16 -0.91 -0.05 0.00 -0.57 0.00 0.00 43.02 41.33 1sql s PHE 11 CO 0.01 0.09 0.22 -0.47 -0.10 0.00 0.00 175.22 174.97 1sql s TYR 12 N -0.90 3.39 0.16 0.36 6.14 -1.26 0.29 117.35 125.53 1sql s TYR 12 Ca 0.05 0.41 0.03 0.00 0.64 0.00 0.00 57.07 58.19 1sql s TYR 12 Cb -0.09 -2.29 -0.01 0.00 0.42 0.00 0.00 41.96 39.99 1sql s TYR 12 CO 0.02 0.17 0.16 0.41 0.64 0.00 0.00 175.55 176.95 1sql n GLY 13 N 3.76 3.28 1.50 8.97 0.00 0.05 -4.48 105.19 118.27 1sql n GLY 13 Ca -0.14 -1.70 -0.02 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.30 0.82 -2.81 1.61 3.01 -1.26 -0.89 117.46 117.63 1sql n PHE 14 Ca 0.03 -1.51 -0.32 0.00 1.01 0.00 0.00 57.45 56.65 1sql n PHE 14 Cb 0.29 -0.24 -0.06 0.00 -0.01 0.00 0.00 39.48 39.46 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 -2.59 3.37 0.00 1.38 3.76 -1.26 -4.14 115.29 115.80 1sql s HIS 15 Ca 0.38 1.43 0.00 0.00 -0.15 0.00 0.00 55.06 56.72 1sql s HIS 15 Cb 0.38 -2.72 0.00 0.00 1.11 0.00 0.00 32.58 31.35 1sql s HIS 15 CO -0.07 -0.11 0.00 0.41 -0.85 0.00 0.00 174.74 174.12 1sql n GLY 16 N -0.84 3.33 0.09 -2.22 0.00 -0.71 -4.75 105.19 100.10 1sql n GLY 16 Ca 0.06 -1.07 0.03 0.00 0.00 0.00 0.00 46.02 45.03 1sql n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sql n ALA 17 N -1.25 2.09 -1.88 4.61 0.00 -1.22 -4.26 120.51 118.59 1sql n ALA 17 Ca 0.00 -0.51 -0.33 0.00 0.00 0.00 0.00 53.44 52.60 1sql n ALA 17 Cb 0.00 -0.94 -0.07 0.00 0.00 0.00 0.00 19.45 18.44 1sql n ALA 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sql s ILE 18 N -3.03 4.43 0.07 0.00 -1.09 -1.26 -4.99 121.20 115.33 1sql s ILE 18 Ca -0.03 1.42 -0.18 0.00 -2.23 0.00 0.00 60.65 59.62 1sql s ILE 18 Cb 0.09 -3.65 -0.11 0.00 -1.58 0.00 0.00 42.46 37.21 1sql s ILE 18 CO 0.81 -0.23 1.41 0.00 -1.23 0.00 0.00 174.94 175.70 1sql h ALA 19 N 2.15 0.31 -0.32 9.38 0.00 -2.01 -2.93 119.26 125.83 1sql h ALA 19 Ca -0.49 -0.32 0.09 0.00 0.00 0.00 0.00 54.91 54.19 1sql h ALA 19 Cb 1.18 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1sql h ALA 19 CO 0.62 0.20 0.24 0.93 0.00 0.00 0.00 179.25 181.24 1sql h GLU 20 N 0.18 0.00 -0.25 0.00 3.07 -1.99 -0.49 114.58 115.09 1sql h GLU 20 Ca 0.04 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.75 1sql h GLU 20 Cb 0.67 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.57 1sql h GLU 20 CO 0.04 0.00 -0.45 0.93 -1.40 0.00 0.00 179.01 178.13 1sql h GLU 21 N 0.00 0.65 -0.02 2.33 5.08 -1.89 -1.41 114.58 119.32 1sql h GLU 21 Ca 0.15 -0.36 -0.07 0.00 -1.00 0.00 0.00 59.36 58.08 1sql h GLU 21 Cb 0.63 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1sql h GLU 21 CO -0.00 0.97 -0.33 0.00 -1.00 0.00 0.00 179.01 178.65 1sql h ARG 22 N 0.52 0.04 0.01 2.33 -0.00 -1.02 -1.81 114.38 114.46 1sql h ARG 22 Ca 0.03 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.48 1sql h ARG 22 Cb 0.99 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.96 1sql h ARG 22 CO 0.09 0.37 -0.06 1.15 0.00 0.00 0.00 179.97 181.52 1sql h THR 23 N 0.04 1.73 0.22 2.04 2.02 -1.21 -3.40 112.91 114.34 1sql h THR 23 Ca 0.00 -2.21 -0.29 0.00 0.77 0.00 0.00 66.41 64.69 1sql h THR 23 Cb 0.61 3.22 0.03 0.00 -1.74 0.00 0.00 68.15 70.27 1sql h THR 23 CO 0.04 0.58 -1.26 -0.07 0.37 0.00 0.00 175.52 175.18 1sql h LEU 24 N -0.88 0.72 0.00 2.58 3.38 -1.32 -3.51 115.31 116.28 1sql h LEU 24 Ca -0.01 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.03 1sql h LEU 24 Cb 0.99 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1sql h LEU 24 CO 0.01 1.61 0.00 0.61 0.09 0.00 0.00 178.44 180.76 1sql n GLY 25 N 1.71 -0.92 3.79 0.83 0.00 -0.68 -5.02 105.19 104.89 1sql n GLY 25 Ca -0.16 -1.67 -0.02 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 -1.23 1.06 0.21 1.61 -2.07 -0.07 -4.98 119.66 114.18 1sql s GLN 26 Ca 0.00 -0.63 -0.17 0.00 -1.82 0.00 0.00 55.36 52.74 1sql s GLN 26 Cb 0.00 0.33 -0.08 0.00 -1.09 0.00 0.00 33.01 32.17 1sql s GLN 26 CO 0.00 -0.49 0.66 1.41 -1.32 0.00 0.00 175.29 175.55 1sql s MET 27 N -2.67 4.13 -0.01 9.60 -2.45 -1.26 -0.77 119.30 125.86 1sql s MET 27 Ca 0.17 0.71 0.05 0.00 -1.25 0.00 0.00 55.69 55.37 1sql s MET 27 Cb -0.01 -2.85 -0.01 0.00 1.25 0.00 0.00 34.83 33.21 1sql s MET 27 CO 0.02 0.40 -0.17 -0.06 1.05 0.00 0.00 175.02 176.26 1sql s PHE 28 N -1.55 1.50 -0.19 4.11 0.40 0.15 -4.30 117.98 118.09 1sql s PHE 28 Ca 0.42 -0.29 -0.07 0.00 -0.60 0.00 0.00 56.93 56.40 1sql s PHE 28 Cb -0.15 -0.96 -0.04 0.00 0.51 0.00 0.00 43.02 42.38 1sql s PHE 28 CO 0.20 -0.02 0.04 -1.17 0.70 0.00 0.00 175.22 174.98 1sql s LEU 29 N -0.44 3.63 -0.07 -0.37 0.20 0.41 -1.45 118.68 120.57 1sql s LEU 29 Ca 0.06 -0.02 0.01 0.00 0.69 0.00 0.00 54.13 54.87 1sql s LEU 29 Cb -0.07 -1.92 0.02 0.00 -0.43 0.00 0.00 46.19 43.80 1sql s LEU 29 CO -0.01 0.13 -0.07 -0.69 -0.29 0.00 0.00 176.35 175.43 1sql s VAL 30 N 0.63 0.81 -0.05 1.68 1.01 0.35 0.07 120.40 124.90 1sql s VAL 30 Ca 0.02 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.80 1sql s VAL 30 Cb -0.13 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 1sql s VAL 30 CO 0.02 0.31 -0.10 -1.81 0.00 0.00 0.00 175.10 173.52 1sql s ASP 31 N 1.25 4.40 -0.03 3.32 1.01 0.61 -1.33 116.67 125.90 1sql s ASP 31 Ca -0.05 -0.11 -0.00 0.00 0.71 0.00 0.00 52.55 53.10 1sql s ASP 31 Cb -0.14 -1.02 0.03 0.00 1.01 0.00 0.00 42.92 42.80 1sql s ASP 31 CO -0.02 0.34 0.03 -0.63 0.21 0.00 0.00 175.17 175.10 1sql s ILE 32 N -0.81 -0.03 -0.21 0.77 1.01 0.09 -1.14 121.20 120.87 1sql s ILE 32 Ca 0.13 0.25 0.01 0.00 0.00 0.00 0.00 60.65 61.04 1sql s ILE 32 Cb -0.11 -0.13 0.03 0.00 0.01 0.00 0.00 42.46 42.26 1sql s ILE 32 CO 0.02 0.12 -0.15 -1.81 0.00 0.00 0.00 174.94 173.13 1sql s ASP 33 N 1.36 3.70 -0.33 3.58 -0.00 -0.81 -0.66 116.67 123.50 1sql s ASP 33 Ca -0.05 -0.85 -0.06 0.00 -0.00 0.00 0.00 52.55 51.58 1sql s ASP 33 Cb -0.13 -1.54 0.03 0.00 -0.00 0.00 0.00 42.92 41.29 1sql s ASP 33 CO -0.03 -0.07 0.10 0.00 -0.00 0.00 0.00 175.17 175.17 1sql s ALA 34 N 1.26 3.05 -0.12 5.23 0.00 0.82 -1.60 121.76 130.40 1sql s ALA 34 Ca 0.01 -1.69 -0.29 0.00 0.00 0.00 0.00 51.96 49.98 1sql s ALA 34 Cb -0.15 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 1sql s ALA 34 CO -0.09 -1.26 1.45 -1.58 0.00 0.00 0.00 175.76 174.28 1sql s TRP 35 N 1.42 2.42 -0.29 0.00 0.51 0.56 0.10 118.94 123.66 1sql s TRP 35 Ca -0.01 0.61 -0.16 0.00 -2.12 0.00 0.00 56.10 54.43 1sql s TRP 35 Cb -0.19 -3.71 0.13 0.00 -0.81 0.00 0.00 33.47 28.89 1sql s TRP 35 CO 0.03 -2.73 0.90 0.54 -0.51 0.00 0.00 176.95 175.17 1sql s VAL 36 N 3.80 -0.02 0.00 4.03 0.11 -1.04 -0.11 120.40 127.18 1sql s VAL 36 Ca 0.64 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.39 1sql s VAL 36 Cb -0.27 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.50 1sql s VAL 36 CO 0.22 0.00 1.98 -0.55 -3.33 0.00 0.00 175.10 173.42 1sql s SER 37 N 1.45 6.35 0.00 3.54 0.15 -1.26 -4.15 113.70 119.78 1sql s SER 37 Ca -0.09 2.56 0.20 0.00 0.70 0.00 0.00 55.95 59.32 1sql s SER 37 Cb -0.04 -2.53 0.26 0.00 -1.71 0.00 0.00 66.02 62.00 1sql s SER 37 CO -0.16 -1.15 1.22 0.18 1.20 0.00 0.00 173.24 174.53 1sql n LEU 38 N 7.97 2.93 -0.19 3.45 4.77 -1.26 -4.58 117.00 130.08 1sql n LEU 38 Ca 0.21 -1.26 -0.03 0.00 -0.03 0.00 0.00 56.01 54.90 1sql n LEU 38 Cb 0.42 -0.11 0.07 0.00 -2.33 0.00 0.00 43.42 41.47 1sql n LEU 38 CO 0.67 0.58 1.03 0.50 -1.33 0.00 0.00 177.39 178.84 1sql h LYS 39 N 3.86 0.51 0.85 3.23 1.63 -1.95 0.12 116.57 124.83 1sql h LYS 39 Ca 0.00 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.73 1sql h LYS 39 Cb 0.86 -0.12 0.01 0.00 -0.60 0.00 0.00 32.23 32.38 1sql h LYS 39 CO 0.00 0.34 -0.43 -0.22 -3.45 0.00 0.00 179.45 175.69 1sql h LYS 40 N 0.53 -1.13 -0.76 1.90 3.64 -1.90 -2.27 116.57 116.58 1sql h LYS 40 Ca 0.25 0.08 0.13 0.00 -1.27 0.00 0.00 60.65 59.84 1sql h LYS 40 Cb 0.18 0.26 -0.05 0.00 -0.41 0.00 0.00 32.23 32.21 1sql h LYS 40 CO -0.19 -0.75 0.50 0.00 -2.27 0.00 0.00 179.45 176.74 1sql h ALA 41 N -1.04 1.96 0.00 5.00 0.00 -1.66 0.71 119.26 124.24 1sql h ALA 41 Ca -0.12 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1sql h ALA 41 Cb 0.91 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1sql h ALA 41 CO 0.18 -0.15 -0.12 0.78 0.00 0.00 0.00 179.25 179.94 1sql h GLY 42 N 0.54 0.00 0.53 0.00 0.00 -0.36 0.30 103.07 104.07 1sql h GLY 42 Ca 0.36 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.52 1sql h GLY 42 CO -0.13 0.00 -1.76 1.18 0.00 0.00 0.00 176.54 175.83 1sql n GLU 43 N -4.20 0.65 -0.01 4.80 1.02 0.11 -4.36 120.64 118.65 1sql n GLU 43 Ca -0.03 0.07 -0.01 0.00 -0.02 0.00 0.00 57.16 57.18 1sql n GLU 43 Cb 0.20 -1.68 -0.11 0.00 -0.02 0.00 0.00 31.44 29.82 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 -2.71 0.52 -3.06 1.62 3.41 -0.44 -4.97 113.62 107.99 1sql n SER 44 Ca -0.14 0.23 -0.22 0.00 -0.26 0.00 0.00 58.87 58.48 1sql n SER 44 Cb 0.85 0.66 0.02 0.00 -0.26 0.00 0.00 64.21 65.48 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 -2.75 -5.34 -4.21 4.04 2.03 0.10 -4.97 116.55 105.46 1sql n ASP 45 Ca -0.14 -0.28 -0.34 0.00 0.52 0.00 0.00 54.79 54.55 1sql n ASP 45 Cb 0.87 -4.35 -0.15 0.00 -0.72 0.00 0.00 41.12 36.77 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 -2.65 3.74 0.40 1.67 2.47 -1.25 -5.01 114.94 114.32 1sql s ASN 46 Ca 0.30 -0.55 0.20 0.00 0.42 0.00 0.00 52.86 53.23 1sql s ASN 46 Cb -0.14 -1.61 1.16 0.00 -1.45 0.00 0.00 41.25 39.21 1sql s ASN 46 CO 0.37 -0.02 1.74 0.25 -3.72 0.00 0.00 177.10 175.72 1sql h LEU 47 N 8.02 0.42 -1.69 3.21 7.12 -1.93 0.50 115.31 130.95 1sql h LEU 47 Ca -0.43 0.10 0.09 0.00 0.13 0.00 0.00 57.88 57.77 1sql h LEU 47 Cb 1.15 0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 41.28 1sql h LEU 47 CO 0.62 0.03 0.37 -0.08 -0.13 0.00 0.00 178.44 179.25 1sql h GLU 48 N 0.34 0.34 0.00 1.25 4.57 -2.00 -1.26 114.58 117.81 1sql h GLU 48 Ca 0.64 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.80 1sql h GLU 48 Cb 1.71 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 30.22 1sql h GLU 48 CO -0.34 0.23 0.00 -0.25 -1.18 0.00 0.00 179.01 177.47 1sql n ASP 49 N -4.46 0.00 -1.46 1.04 9.92 0.17 -4.83 116.55 116.92 1sql n ASP 49 Ca 0.09 -1.10 -0.04 0.00 -0.53 0.00 0.00 54.79 53.21 1sql n ASP 49 Cb 0.37 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.83 1sql n ASP 49 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1sql n THR 50 N -0.75 0.00 -4.84 -3.53 5.66 -0.48 -4.09 114.28 106.25 1sql n THR 50 Ca 0.09 -0.46 -0.33 0.00 -3.05 0.00 0.00 64.05 60.30 1sql n THR 50 Cb 0.04 0.25 -0.15 0.00 -1.55 0.00 0.00 70.33 68.93 1sql n THR 50 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1sql s ILE 51 N -2.39 2.93 0.04 1.09 -1.09 -1.26 -5.00 121.20 115.51 1sql s ILE 51 Ca 0.08 -0.71 -0.30 0.00 -2.23 0.00 0.00 60.65 57.48 1sql s ILE 51 Cb 0.00 -2.21 -0.06 0.00 -1.58 0.00 0.00 42.46 38.61 1sql s ILE 51 CO 0.05 0.53 1.39 -0.55 -1.23 0.00 0.00 174.94 175.13 1sql s SER 52 N 0.27 6.86 0.54 3.58 0.15 -1.26 -4.88 113.70 118.95 1sql s SER 52 Ca -0.10 2.17 0.35 0.00 0.70 0.00 0.00 55.95 59.07 1sql s SER 52 Cb -0.16 -2.57 1.63 0.00 -1.71 0.00 0.00 66.02 63.21 1sql s SER 52 CO 0.06 -0.69 2.05 0.10 1.20 0.00 0.00 173.24 175.96 1sql h TYR 53 N 7.49 0.00 -0.21 3.44 -0.00 -1.99 -1.39 116.97 124.31 1sql h TYR 53 Ca -0.39 0.00 -0.11 0.00 -0.00 0.00 0.00 58.73 58.23 1sql h TYR 53 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.91 1sql h TYR 53 CO 0.72 0.00 -0.34 0.28 -0.00 0.00 0.00 178.16 178.82 1sql h VAL 54 N 0.00 1.29 -0.26 -0.90 2.07 -1.98 0.11 116.25 116.57 1sql h VAL 54 Ca 0.00 -1.44 -0.20 0.00 0.82 0.00 0.00 66.70 65.89 1sql h VAL 54 Cb 0.31 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1sql h VAL 54 CO 0.00 0.45 -0.60 0.44 0.02 0.00 0.00 177.57 177.88 1sql h ASP 55 N 0.38 0.98 -0.57 0.57 3.45 -1.65 0.30 116.42 119.88 1sql h ASP 55 Ca 0.04 -0.55 -0.01 0.00 0.43 0.00 0.00 57.03 56.94 1sql h ASP 55 Cb 0.79 -0.28 -0.03 0.00 -0.56 0.00 0.00 39.33 39.24 1sql h ASP 55 CO 0.06 1.36 0.32 0.40 -1.57 0.00 0.00 179.24 179.81 1sql h ILE 56 N 0.65 1.19 -0.28 0.35 1.08 -1.21 -1.57 117.51 117.72 1sql h ILE 56 Ca -0.00 -0.46 0.01 0.00 -0.39 0.00 0.00 64.86 64.02 1sql h ILE 56 Cb 1.22 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 35.39 1sql h ILE 56 CO 0.13 0.20 0.16 0.15 -0.69 0.00 0.00 178.15 178.10 1sql h PHE 57 N 0.77 0.30 -0.93 1.37 3.57 -0.60 -1.76 116.94 119.66 1sql h PHE 57 Ca 0.20 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 1sql h PHE 57 Cb 0.03 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.63 1sql h PHE 57 CO -0.01 0.18 0.57 0.77 -2.23 0.00 0.00 178.31 177.58 1sql h SER 58 N 0.33 1.12 0.62 0.41 0.02 -0.55 -0.06 113.55 115.44 1sql h SER 58 Ca 0.11 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1sql h SER 58 Cb 0.01 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 62.27 1sql h SER 58 CO -0.06 0.85 -0.30 0.25 -1.14 0.00 0.00 176.83 176.44 1sql h LEU 59 N 1.29 -0.70 -0.58 5.07 6.46 -1.08 -0.75 115.31 125.02 1sql h LEU 59 Ca 0.34 -0.02 0.11 0.00 -0.12 0.00 0.00 57.88 58.19 1sql h LEU 59 Cb -0.06 0.18 -0.09 0.00 -0.73 0.00 0.00 40.66 39.96 1sql h LEU 59 CO -0.06 -0.41 0.10 0.00 -0.62 0.00 0.00 178.44 177.44 1sql h ALA 60 N -0.68 0.65 -0.08 1.25 0.00 -1.15 -0.08 119.26 119.17 1sql h ALA 60 Ca -0.08 0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1sql h ALA 60 Cb 0.68 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1sql h ALA 60 CO 0.14 -0.33 -0.09 -0.22 0.00 0.00 0.00 179.25 178.75 1sql h LYS 61 N 0.22 -0.12 -0.61 0.00 3.64 -0.90 0.21 116.57 119.02 1sql h LYS 61 Ca 0.30 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.78 1sql h LYS 61 Cb 0.45 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.22 1sql h LYS 61 CO -0.41 -0.08 0.22 0.93 -2.27 0.00 0.00 179.45 177.85 1sql h GLU 62 N -0.12 0.39 -0.09 1.90 4.39 0.08 -1.34 114.58 119.79 1sql h GLU 62 Ca 0.07 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1sql h GLU 62 Cb 0.21 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1sql h GLU 62 CO -0.16 0.26 0.03 0.82 -1.16 0.00 0.00 179.01 178.80 1sql h ILE 63 N 0.40 1.18 0.00 3.13 1.08 -0.41 -1.82 117.51 121.08 1sql h ILE 63 Ca 0.31 -0.56 -0.09 0.00 -0.39 0.00 0.00 64.86 64.12 1sql h ILE 63 Cb 0.39 1.38 -0.01 0.00 -3.07 0.00 0.00 36.82 35.50 1sql h ILE 63 CO -0.31 0.16 -0.45 0.58 -0.69 0.00 0.00 178.15 177.44 1sql h VAL 64 N -0.04 1.31 -0.07 1.67 2.07 -0.75 -2.93 116.25 117.51 1sql h VAL 64 Ca 0.03 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.00 1sql h VAL 64 Cb 0.23 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1sql h VAL 64 CO -0.00 0.44 0.00 -0.62 0.02 0.00 0.00 177.57 177.41 1sql n GLU 65 N -3.99 2.00 -0.02 1.57 1.02 -0.53 -4.42 120.64 116.27 1sql n GLU 65 Ca -0.02 -1.46 0.00 0.00 -0.02 0.00 0.00 57.16 55.67 1sql n GLU 65 Cb 0.47 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 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 1.27 0.11 3.58 0.62 0.00 -0.69 -4.91 105.19 105.16 1sql n GLY 66 Ca 0.17 -1.77 -0.54 0.00 0.00 0.00 0.00 46.02 43.88 1sql n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sql n SER 67 N -0.16 1.32 -4.76 1.61 3.41 -1.26 -4.76 113.62 109.02 1sql n SER 67 Ca 0.00 1.13 -0.38 0.00 -0.26 0.00 0.00 58.87 59.36 1sql n SER 67 Cb 0.00 -1.12 0.01 0.00 -0.26 0.00 0.00 64.21 62.83 1sql n SER 67 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1sql s PRO 68 N 0.63 3.62 0.28 4.33 0.04 -1.26 -5.00 135.00 137.65 1sql s PRO 68 Ca 0.87 1.95 0.08 0.00 0.04 0.00 0.00 61.00 63.94 1sql s PRO 68 Cb -1.04 -2.42 -0.06 0.00 0.04 0.00 0.00 34.50 31.02 1sql s PRO 68 CO 0.51 -0.72 -0.08 1.03 0.04 0.00 0.00 177.00 177.78 1sql s ARG 69 N -2.68 1.59 0.05 4.56 1.81 -1.26 -5.00 118.95 118.01 1sql s ARG 69 Ca 0.65 -1.80 -0.17 0.00 -1.72 0.00 0.00 55.73 52.69 1sql s ARG 69 Cb -0.33 -1.29 -0.19 0.00 -0.45 0.00 0.00 34.95 32.69 1sql s ARG 69 CO 0.40 0.09 1.22 -0.91 -0.68 0.00 0.00 175.30 175.42 1sql h ASN 70 N 2.25 0.68 -3.28 0.23 2.35 -1.96 -1.89 115.58 113.96 1sql h ASN 70 Ca -0.40 -0.67 -0.64 0.00 -0.55 0.00 0.00 56.30 54.04 1sql h ASN 70 Cb 1.24 -0.20 -0.14 0.00 0.05 0.00 0.00 38.32 39.27 1sql h ASN 70 CO 0.67 1.24 -0.71 -0.76 -1.65 0.00 0.00 177.43 176.22 1sql s LEU 71 N -8.49 3.14 0.33 1.61 1.43 -1.26 -3.36 118.68 112.09 1sql s LEU 71 Ca -0.12 -0.40 0.08 0.00 -1.03 0.00 0.00 54.13 52.66 1sql s LEU 71 Cb 0.06 -1.88 0.58 0.00 0.03 0.00 0.00 46.19 44.98 1sql s LEU 71 CO 0.85 0.14 1.78 -0.07 0.23 0.00 0.00 176.35 179.28 1sql h LEU 72 N 3.26 0.21 -0.48 1.79 3.38 -1.95 -2.84 115.31 118.68 1sql h LEU 72 Ca -0.48 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 57.48 1sql h LEU 72 Cb 1.18 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.82 1sql h LEU 72 CO 0.55 0.53 0.19 -0.33 0.09 0.00 0.00 178.44 179.46 1sql h GLU 73 N 0.18 0.36 -0.41 1.13 3.07 -1.94 -0.36 114.58 116.62 1sql h GLU 73 Ca 0.02 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1sql h GLU 73 Cb 0.67 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.48 1sql h GLU 73 CO 0.05 0.24 0.17 1.15 -1.40 0.00 0.00 179.01 179.22 1sql h THR 74 N 0.37 1.19 -0.49 1.13 2.02 -1.93 0.39 112.91 115.60 1sql h THR 74 Ca 0.22 -0.59 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 1sql h THR 74 Cb 0.21 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1sql h THR 74 CO -0.21 0.21 0.17 0.58 0.37 0.00 0.00 175.52 176.64 1sql h VAL 75 N 0.51 1.22 -0.13 3.16 2.07 -1.34 -1.09 116.25 120.65 1sql h VAL 75 Ca 0.14 -0.71 -0.07 0.00 0.82 0.00 0.00 66.70 66.87 1sql h VAL 75 Cb 0.18 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1sql h VAL 75 CO -0.01 0.26 -0.26 0.00 0.02 0.00 0.00 177.57 177.58 1sql h ALA 76 N 1.03 1.33 -0.28 1.67 0.00 -0.90 -1.05 119.26 121.06 1sql h ALA 76 Ca 0.16 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1sql h ALA 76 Cb 0.24 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1sql h ALA 76 CO -0.01 0.46 -0.30 1.49 0.00 0.00 0.00 179.25 180.89 1sql h GLU 77 N 0.21 0.69 -0.31 0.00 4.57 -0.59 -2.02 114.58 117.13 1sql h GLU 77 Ca 0.03 -0.37 -0.02 0.00 -1.18 0.00 0.00 59.36 57.82 1sql h GLU 77 Cb 0.57 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1sql h GLU 77 CO 0.04 0.99 0.11 -0.07 -1.18 0.00 0.00 179.01 178.90 1sql h LEU 78 N 0.43 0.44 -0.61 1.64 4.07 -0.87 0.14 115.31 120.55 1sql h LEU 78 Ca 0.04 -0.18 0.09 0.00 0.08 0.00 0.00 57.88 57.91 1sql h LEU 78 Cb 0.87 -0.11 -0.07 0.00 1.08 0.00 0.00 40.66 42.43 1sql h LEU 78 CO 0.07 0.50 0.24 0.40 -1.08 0.00 0.00 178.44 178.58 1sql h ILE 79 N 0.35 0.79 0.33 1.22 2.04 -1.15 0.32 117.51 121.40 1sql h ILE 79 Ca 0.10 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1sql h ILE 79 Cb 0.21 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1sql h ILE 79 CO -0.01 0.08 -0.16 0.00 0.00 0.00 0.00 178.15 178.06 1sql h ALA 80 N 1.41 -0.44 -0.55 1.87 0.00 -0.99 -0.95 119.26 119.62 1sql h ALA 80 Ca 0.31 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1sql h ALA 80 Cb 0.37 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1sql h ALA 80 CO -0.30 -0.58 0.10 0.66 0.00 0.00 0.00 179.25 179.13 1sql h SER 81 N -0.78 0.81 -0.43 0.00 4.64 -0.83 -0.33 113.55 116.63 1sql h SER 81 Ca -0.05 -0.16 -0.08 0.00 -0.47 0.00 0.00 61.79 61.03 1sql h SER 81 Cb 0.51 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 1sql h SER 81 CO 0.07 0.82 -0.04 0.50 -0.87 0.00 0.00 176.83 177.32 1sql h LYS 82 N 0.82 0.85 -0.24 4.77 1.63 -0.39 -0.27 116.57 123.75 1sql h LYS 82 Ca 0.17 -0.26 -0.14 0.00 -0.85 0.00 0.00 60.65 59.58 1sql h LYS 82 Cb 0.35 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 31.89 1sql h LYS 82 CO 0.00 0.87 -0.38 1.15 -3.45 0.00 0.00 179.45 177.65 1sql h THR 83 N 0.78 1.31 -0.24 1.00 2.02 -0.65 -0.76 112.91 116.37 1sql h THR 83 Ca 0.14 -1.59 -0.07 0.00 0.77 0.00 0.00 66.41 65.67 1sql h THR 83 Cb 0.52 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 1sql h THR 83 CO 0.03 0.50 -0.14 -0.07 0.37 0.00 0.00 175.52 176.21 1sql h LEU 84 N 0.41 0.39 0.03 2.58 3.38 -0.94 -1.21 115.31 119.95 1sql h LEU 84 Ca 0.02 -0.10 -0.21 0.00 0.09 0.00 0.00 57.88 57.68 1sql h LEU 84 Cb 0.98 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 41.64 1sql h LEU 84 CO 0.09 0.56 -0.84 -0.08 0.09 0.00 0.00 178.44 178.26 1sql h GLU 85 N 0.38 0.51 0.00 1.13 4.81 -0.92 -3.35 114.58 117.14 1sql h GLU 85 Ca 0.07 -0.59 -0.07 0.00 -0.13 0.00 0.00 59.36 58.64 1sql h GLU 85 Cb 0.47 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 1sql h GLU 85 CO 0.03 1.22 -0.33 0.87 -0.73 0.00 0.00 179.01 180.07 1sql h LYS 86 N 0.06 0.00 -3.28 1.92 6.56 -1.06 -3.40 116.57 117.37 1sql h LYS 86 Ca -0.11 0.00 -0.63 0.00 -1.06 0.00 0.00 60.65 58.85 1sql h LYS 86 Cb 1.54 0.00 -0.41 0.00 -0.57 0.00 0.00 32.23 32.79 1sql h LYS 86 CO 0.16 0.33 -0.67 -0.06 -2.06 0.00 0.00 179.45 177.16 1sql s PHE 87 N -3.09 2.76 0.56 -1.35 0.08 -0.46 -4.97 117.98 111.52 1sql s PHE 87 Ca 0.05 -2.89 0.26 0.00 0.12 0.00 0.00 56.93 54.46 1sql s PHE 87 Cb 0.07 -2.49 1.51 0.00 -0.57 0.00 0.00 43.02 41.55 1sql s PHE 87 CO 0.71 -0.76 2.07 1.12 -0.10 0.00 0.00 175.22 178.26 1sql h HIS 88 N 6.63 0.00 -0.30 0.36 2.07 -1.79 -1.83 115.15 120.28 1sql h HIS 88 Ca -0.06 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.41 1sql h HIS 88 Cb 0.91 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.87 1sql h HIS 88 CO 0.50 0.00 -0.04 0.37 -3.07 0.00 0.00 177.93 175.69 1sql h GLN 89 N 0.00 0.48 -6.67 5.12 4.15 -1.93 -3.42 115.11 112.83 1sql h GLN 89 Ca 0.13 -0.11 -0.53 0.00 0.77 0.00 0.00 58.65 58.92 1sql h GLN 89 Cb 0.61 -0.07 0.05 0.00 0.21 0.00 0.00 27.48 28.28 1sql h GLN 89 CO -0.00 0.54 0.82 0.42 -1.93 0.00 0.00 178.83 178.68 1sql s ILE 90 N -4.89 2.65 -0.16 2.39 -1.09 -0.69 -4.74 121.20 114.65 1sql s ILE 90 Ca -0.07 0.50 0.18 0.00 -2.23 0.00 0.00 60.65 59.03 1sql s ILE 90 Cb 0.15 -3.32 -0.26 0.00 -1.58 0.00 0.00 42.46 37.46 1sql s ILE 90 CO 0.76 0.06 0.19 0.59 -1.23 0.00 0.00 174.94 175.31 1sql n ASN 91 N 3.20 0.09 -3.59 3.58 5.03 0.85 -4.83 115.26 119.58 1sql n ASN 91 Ca 0.10 0.04 -0.14 0.00 0.87 0.00 0.00 54.58 55.46 1sql n ASN 91 Cb 0.39 1.02 -0.05 0.00 -1.02 0.00 0.00 39.78 40.11 1sql n ASN 91 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1sql s ALA 92 N -2.64 -1.28 0.00 5.41 0.00 -1.20 -0.86 121.76 121.20 1sql s ALA 92 Ca -0.09 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1sql s ALA 92 Cb 0.07 0.37 -0.00 0.00 0.00 0.00 0.00 23.12 23.56 1sql s ALA 92 CO 0.84 -0.50 -0.01 0.08 0.00 0.00 0.00 175.76 176.18 1sql s VAL 93 N -2.44 0.04 -0.16 0.00 1.01 0.56 -0.32 120.40 119.08 1sql s VAL 93 Ca -0.05 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.84 1sql s VAL 93 Cb -0.01 -0.06 0.01 0.00 0.00 0.00 0.00 36.38 36.33 1sql s VAL 93 CO -0.02 -0.04 -0.21 -0.60 0.00 0.00 0.00 175.10 174.23 1sql s ARG 94 N -0.16 3.01 -0.12 2.72 3.52 -0.62 -0.14 118.95 127.16 1sql s ARG 94 Ca -0.01 -0.84 0.02 0.00 -0.13 0.00 0.00 55.73 54.77 1sql s ARG 94 Cb -0.01 -2.52 -0.00 0.00 -1.56 0.00 0.00 34.95 30.86 1sql s ARG 94 CO -0.00 -0.12 -0.19 0.08 -0.81 0.00 0.00 175.30 174.26 1sql s VAL 95 N 1.07 2.44 -0.25 7.11 1.01 0.22 -1.92 120.40 130.08 1sql s VAL 95 Ca -0.00 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.13 1sql s VAL 95 Cb -0.14 -1.98 0.05 0.00 0.00 0.00 0.00 36.38 34.31 1sql s VAL 95 CO -0.08 0.54 -0.12 -0.54 0.00 0.00 0.00 175.10 174.90 1sql s LYS 96 N 0.45 2.34 -0.19 2.72 1.02 -0.29 -1.13 119.74 124.66 1sql s LYS 96 Ca -0.14 -1.26 -0.01 0.00 0.02 0.00 0.00 55.97 54.58 1sql s LYS 96 Cb -0.17 -2.83 0.01 0.00 -0.52 0.00 0.00 37.83 34.32 1sql s LYS 96 CO 0.06 -0.52 -0.14 -1.17 -0.92 0.00 0.00 175.35 172.66 1sql s LEU 97 N 1.14 2.45 0.10 3.17 2.96 -0.66 -0.28 118.68 127.56 1sql s LEU 97 Ca -0.07 -0.53 0.02 0.00 -0.22 0.00 0.00 54.13 53.33 1sql s LEU 97 Cb -0.19 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 1sql s LEU 97 CO -0.06 0.01 -0.07 -0.44 -1.32 0.00 0.00 176.35 174.46 1sql s SER 98 N 1.28 1.21 -0.32 3.68 0.01 0.11 -1.31 113.70 118.36 1sql s SER 98 Ca 0.04 -0.98 -0.06 0.00 1.31 0.00 0.00 55.95 56.25 1sql s SER 98 Cb -0.14 0.08 0.03 0.00 0.21 0.00 0.00 66.02 66.20 1sql s SER 98 CO -0.08 -0.43 0.09 -0.54 0.41 0.00 0.00 173.24 172.69 1sql s LYS 99 N -3.70 2.79 0.36 12.44 1.02 0.18 -0.45 119.74 132.38 1sql s LYS 99 Ca 0.11 -1.06 0.16 0.00 0.02 0.00 0.00 55.97 55.21 1sql s LYS 99 Cb 0.04 -3.42 0.67 0.00 -0.52 0.00 0.00 37.83 34.61 1sql s LYS 99 CO -0.04 -0.58 1.75 -1.35 -0.92 0.00 0.00 175.35 174.21 1sql h PRO 100 N 8.22 0.00 -4.42 -1.68 0.11 -1.80 -2.83 132.00 129.60 1sql h PRO 100 Ca -0.26 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.23 1sql h PRO 100 Cb 1.10 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.83 1sql h PRO 100 CO 0.60 0.41 -0.79 -0.80 -0.21 0.00 0.00 178.00 177.21 1sql s ASN 101 N -6.60 3.93 -0.23 -2.05 0.01 -1.26 -4.65 114.94 104.09 1sql s ASN 101 Ca -0.01 -1.21 -0.09 0.00 -0.71 0.00 0.00 52.86 50.84 1sql s ASN 101 Cb 0.12 -1.23 -0.04 0.00 0.41 0.00 0.00 41.25 40.51 1sql s ASN 101 CO 0.70 -0.23 0.12 -0.69 -1.51 0.00 0.00 177.10 175.49 1sql s VAL 102 N 1.36 4.94 0.28 1.60 1.01 -1.26 -4.95 120.40 123.37 1sql s VAL 102 Ca -0.06 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 1sql s VAL 102 Cb -0.19 -3.29 -0.13 0.00 0.00 0.00 0.00 36.38 32.77 1sql s VAL 102 CO -0.06 0.36 1.38 0.00 0.00 0.00 0.00 175.10 176.78 1sql n ALA 103 N 4.37 1.27 -0.69 5.51 0.00 -1.26 -2.28 120.51 127.43 1sql n ALA 103 Ca -0.16 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1sql n ALA 103 Cb 0.52 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 1.70 0.26 -4.49 0.00 7.99 -1.26 -4.97 117.00 116.22 1sql n LEU 104 Ca 0.09 0.00 -0.43 0.00 -0.01 0.00 0.00 56.01 55.66 1sql n LEU 104 Cb 0.33 -0.41 -0.05 0.00 -0.11 0.00 0.00 43.42 43.18 1sql n LEU 104 CO 0.63 -0.13 0.65 -0.63 -1.51 0.00 0.00 177.39 176.40 1sql s ILE 105 N -2.93 4.50 0.36 -0.08 1.01 -0.97 -4.90 121.20 118.19 1sql s ILE 105 Ca 0.00 -0.01 0.15 0.00 0.00 0.00 0.00 60.65 60.79 1sql s ILE 105 Cb 0.00 -4.50 0.12 0.00 0.01 0.00 0.00 42.46 38.09 1sql s ILE 105 CO 0.00 -1.09 1.85 0.11 0.00 0.00 0.00 174.94 175.81 1sql h LYS 106 N 9.27 0.00 -7.01 2.79 6.56 -1.93 -3.46 116.57 122.79 1sql h LYS 106 Ca -0.27 0.00 -0.44 0.00 -1.06 0.00 0.00 60.65 58.88 1sql h LYS 106 Cb 1.08 0.00 0.06 0.00 -0.57 0.00 0.00 32.23 32.80 1sql h LYS 106 CO 1.07 0.33 0.06 -1.54 -2.06 0.00 0.00 179.45 177.32 1sql s SER 107 N -6.81 5.08 0.18 0.86 1.04 -1.26 -5.07 113.70 107.71 1sql s SER 107 Ca -0.03 0.15 -0.27 0.00 0.48 0.00 0.00 55.95 56.28 1sql s SER 107 Cb 0.14 -0.93 -0.08 0.00 0.10 0.00 0.00 66.02 65.25 1sql s SER 107 CO 0.71 -1.33 0.84 -0.89 0.98 0.00 0.00 173.24 173.54 1sql s THR 108 N -2.95 4.30 0.20 2.02 2.01 -1.26 -5.06 115.64 114.90 1sql s THR 108 Ca 0.59 1.84 -0.08 0.00 0.31 0.00 0.00 61.69 64.35 1sql s THR 108 Cb -0.10 -4.21 -0.02 0.00 0.01 0.00 0.00 72.50 68.18 1sql s THR 108 CO 0.41 0.50 0.31 0.27 -0.69 0.00 0.00 174.62 175.42 1sql s ILE 109 N -1.03 0.03 -0.16 1.82 -4.36 -1.26 -5.07 121.20 111.17 1sql s ILE 109 Ca 0.38 -1.56 -0.14 0.00 -0.26 0.00 0.00 60.65 59.06 1sql s ILE 109 Cb -0.24 -2.15 -0.11 0.00 1.25 0.00 0.00 42.46 41.21 1sql s ILE 109 CO 0.28 -0.11 0.11 0.44 0.24 0.00 0.00 174.94 175.89 1sql h ASP 110 N 2.46 0.00 -4.74 4.36 3.32 -1.96 -3.50 116.42 116.37 1sql h ASP 110 Ca -0.31 -0.30 0.27 0.00 0.02 0.00 0.00 57.03 56.72 1sql h ASP 110 Cb 1.24 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.63 1sql h ASP 110 CO 0.45 0.99 0.81 -0.72 -1.72 0.00 0.00 179.24 179.05 1sql s TYR 111 N -2.17 -0.10 0.02 4.55 -0.85 -1.26 -4.56 117.35 112.97 1sql s TYR 111 Ca -0.18 0.03 0.07 0.00 -0.52 0.00 0.00 57.07 56.47 1sql s TYR 111 Cb 0.02 0.53 -0.02 0.00 0.38 0.00 0.00 41.96 42.87 1sql s TYR 111 CO 0.37 -0.24 -0.20 -0.51 -1.52 0.00 0.00 175.55 173.46 1sql s LEU 112 N -2.44 2.11 0.00 -3.49 1.43 -1.07 -4.96 118.68 110.26 1sql s LEU 112 Ca 0.11 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1sql s LEU 112 Cb 0.01 -0.97 0.00 0.00 0.03 0.00 0.00 46.19 45.26 1sql s LEU 112 CO -0.04 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.34 1sql n GLY 113 N 2.18 1.03 3.38 -3.19 0.00 -1.26 -0.65 105.19 106.69 1sql n GLY 113 Ca -0.16 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.23 2.04 -0.22 1.61 -7.23 -0.43 -4.99 120.40 108.95 1sql s VAL 114 Ca 0.00 -2.15 -0.04 0.00 -1.81 0.00 0.00 61.98 57.98 1sql s VAL 114 Cb 0.00 -2.06 0.09 0.00 0.56 0.00 0.00 36.38 34.97 1sql s VAL 114 CO 0.00 -0.40 0.20 -0.62 -0.31 0.00 0.00 175.10 173.97 1sql s ASP 115 N -3.09 1.83 0.22 4.85 -1.08 -1.26 -1.65 116.67 116.49 1sql s ASP 115 Ca 0.22 -0.48 0.10 0.00 -0.52 0.00 0.00 52.55 51.88 1sql s ASP 115 Cb -0.04 0.20 -0.05 0.00 -1.46 0.00 0.00 42.92 41.57 1sql s ASP 115 CO 0.09 -0.35 -0.19 0.27 0.52 0.00 0.00 175.17 175.51 1sql s ILE 116 N 2.27 2.14 -0.10 4.11 -4.36 -0.28 -4.98 121.20 120.00 1sql s ILE 116 Ca 0.06 -2.19 0.01 0.00 -0.26 0.00 0.00 60.65 58.28 1sql s ILE 116 Cb -0.16 -2.11 0.02 0.00 1.25 0.00 0.00 42.46 41.46 1sql s ILE 116 CO -0.17 -0.38 -0.13 0.12 0.24 0.00 0.00 174.94 174.63 1sql s PHE 117 N -2.36 1.71 -0.10 1.37 5.36 -1.26 -0.61 117.98 122.09 1sql s PHE 117 Ca 0.23 -0.76 0.01 0.00 -0.96 0.00 0.00 56.93 55.45 1sql s PHE 117 Cb -0.05 -1.27 0.02 0.00 -0.34 0.00 0.00 43.02 41.38 1sql s PHE 117 CO 0.10 -0.42 -0.10 1.03 -1.46 0.00 0.00 175.22 174.37 1sql s ARG 118 N 1.03 1.71 0.12 10.12 1.81 0.81 -4.99 118.95 129.56 1sql s ARG 118 Ca -0.07 -0.36 0.03 0.00 -1.72 0.00 0.00 55.73 53.61 1sql s ARG 118 Cb -0.15 -1.58 -0.04 0.00 -0.45 0.00 0.00 34.95 32.74 1sql s ARG 118 CO -0.01 -0.13 0.17 -0.65 -0.68 0.00 0.00 175.30 173.99 1sql s GLN 119 N 1.23 3.10 0.00 3.54 -0.21 -1.26 -0.33 119.66 125.73 1sql s GLN 119 Ca -0.04 -0.70 0.09 0.00 0.02 0.00 0.00 55.36 54.73 1sql s GLN 119 Cb -0.14 -2.80 0.51 0.00 1.00 0.00 0.00 33.01 31.58 1sql s GLN 119 CO -0.03 0.53 0.96 -2.13 -2.12 0.00 0.00 175.29 172.50