#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 7.44 0.14 1.61 1.11 -1.26 -5.04 116.67 120.66 1sql s ASP 2 Ca 0.00 2.00 -0.24 0.00 0.18 0.00 0.00 52.55 54.49 1sql s ASP 2 Cb 0.00 -2.61 0.07 0.00 1.07 0.00 0.00 42.92 41.45 1sql s ASP 2 CO 0.00 -0.06 0.60 -1.59 1.18 0.00 0.00 175.17 175.30 1sql s LYS 3 N -0.67 1.25 -0.05 8.23 -2.85 -1.26 -2.32 119.74 122.07 1sql s LYS 3 Ca 0.46 -0.40 -0.13 0.00 -1.00 0.00 0.00 55.97 54.90 1sql s LYS 3 Cb -0.27 0.57 -0.05 0.00 -2.06 0.00 0.00 37.83 36.02 1sql s LYS 3 CO 0.34 -0.53 0.34 -0.51 0.10 0.00 0.00 175.35 175.09 1sql s LEU 4 N -2.58 4.42 -0.17 2.77 1.43 -0.17 -4.91 118.68 119.47 1sql s LEU 4 Ca -0.00 0.80 0.01 0.00 -1.03 0.00 0.00 54.13 53.90 1sql s LEU 4 Cb -0.01 -2.46 0.02 0.00 0.03 0.00 0.00 46.19 43.77 1sql s LEU 4 CO -0.10 0.30 -0.20 -0.63 0.23 0.00 0.00 176.35 175.95 1sql s ILE 5 N -0.78 2.14 -0.29 -0.59 -1.09 -1.26 -1.28 121.20 118.05 1sql s ILE 5 Ca 0.21 -0.92 0.00 0.00 -2.23 0.00 0.00 60.65 57.71 1sql s ILE 5 Cb -0.15 -1.89 0.06 0.00 -1.58 0.00 0.00 42.46 38.89 1sql s ILE 5 CO 0.10 0.54 -0.03 -0.76 -1.23 0.00 0.00 174.94 173.56 1sql s LEU 6 N 1.16 3.84 -0.16 2.97 1.02 -0.45 -5.02 118.68 122.06 1sql s LEU 6 Ca 0.02 -1.39 -0.03 0.00 0.02 0.00 0.00 54.13 52.75 1sql s LEU 6 Cb -0.14 -1.66 -0.02 0.00 0.02 0.00 0.00 46.19 44.39 1sql s LEU 6 CO -0.09 -0.25 -0.07 -0.75 0.02 0.00 0.00 176.35 175.21 1sql s LYS 7 N 1.18 3.54 -1.05 1.70 2.47 -1.26 -0.88 119.74 125.44 1sql s LYS 7 Ca -0.05 -0.59 -0.06 0.00 -1.56 0.00 0.00 55.97 53.71 1sql s LYS 7 Cb -0.20 -2.84 0.01 0.00 -1.46 0.00 0.00 37.83 33.34 1sql s LYS 7 CO -0.03 0.18 0.91 0.41 0.16 0.00 0.00 175.35 176.98 1sql n GLY 8 N 3.68 -0.22 3.69 5.54 0.00 -1.20 -4.97 105.19 111.72 1sql n GLY 8 Ca -0.18 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 -5.87 4.32 -0.20 0.99 1.43 -0.14 -4.79 118.68 114.40 1sql s LEU 9 Ca 0.38 2.13 -0.06 0.00 -1.03 0.00 0.00 54.13 55.56 1sql s LEU 9 Cb -0.17 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 1sql s LEU 9 CO 0.57 -0.74 0.02 -0.54 0.23 0.00 0.00 176.35 175.89 1sql s LYS 10 N 2.52 3.68 -0.00 1.70 1.02 -1.26 -0.76 119.74 126.65 1sql s LYS 10 Ca 0.65 -0.48 0.01 0.00 0.02 0.00 0.00 55.97 56.16 1sql s LYS 10 Cb -0.32 -3.14 -0.00 0.00 -0.52 0.00 0.00 37.83 33.85 1sql s LYS 10 CO 0.27 0.03 -0.02 -0.06 -0.92 0.00 0.00 175.35 174.64 1sql s PHE 11 N 0.99 0.22 -0.04 3.18 0.08 -0.78 -4.99 117.98 116.64 1sql s PHE 11 Ca 0.02 -0.04 -0.18 0.00 0.12 0.00 0.00 56.93 56.86 1sql s PHE 11 Cb -0.14 -0.15 -0.05 0.00 -0.57 0.00 0.00 43.02 42.10 1sql s PHE 11 CO 0.02 -0.01 0.48 -0.47 -0.10 0.00 0.00 175.22 175.14 1sql s TYR 12 N 0.00 3.64 0.15 0.36 6.14 -1.26 -0.60 117.35 125.78 1sql s TYR 12 Ca 0.00 1.01 -0.02 0.00 0.64 0.00 0.00 57.07 58.71 1sql s TYR 12 Cb -0.02 -2.47 0.01 0.00 0.42 0.00 0.00 41.96 39.90 1sql s TYR 12 CO -0.00 0.39 0.22 0.41 0.64 0.00 0.00 175.55 177.21 1sql n GLY 13 N 2.51 2.55 0.63 8.97 0.00 -0.45 -4.33 105.19 115.07 1sql n GLY 13 Ca -0.10 -1.43 0.05 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.24 0.00 -1.21 1.61 3.01 -1.26 -1.37 117.46 118.00 1sql n PHE 14 Ca -0.00 -0.77 -0.31 0.00 1.01 0.00 0.00 57.45 57.38 1sql n PHE 14 Cb 0.24 -0.15 0.11 0.00 -0.01 0.00 0.00 39.48 39.67 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 -1.62 2.45 0.00 1.38 3.76 -1.26 -4.14 115.29 115.87 1sql s HIS 15 Ca 0.26 1.49 0.00 0.00 -0.15 0.00 0.00 55.06 56.66 1sql s HIS 15 Cb 0.26 -3.09 0.00 0.00 1.11 0.00 0.00 32.58 30.86 1sql s HIS 15 CO -0.05 -2.02 0.00 0.41 -0.85 0.00 0.00 174.74 172.24 1sql n GLY 16 N -1.10 3.94 0.14 -2.22 0.00 0.06 -4.61 105.19 101.38 1sql n GLY 16 Ca 0.09 -1.69 -0.22 0.00 0.00 0.00 0.00 46.02 44.19 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 0.16 -2.88 4.61 0.00 -1.86 -3.40 119.26 115.89 1sql h ALA 17 Ca 0.00 -1.11 -0.54 0.00 0.00 0.00 0.00 54.91 53.26 1sql h ALA 17 Cb 0.00 0.46 0.11 0.00 0.00 0.00 0.00 17.79 18.35 1sql h ALA 17 CO 0.00 0.93 0.78 -0.89 0.00 0.00 0.00 179.25 180.07 1sql n ILE 18 N -3.74 1.82 -0.15 0.00 2.08 -1.26 -4.90 119.36 113.22 1sql n ILE 18 Ca -0.25 -0.45 -0.04 0.00 0.56 0.00 0.00 62.75 62.57 1sql n ILE 18 Cb 1.00 -1.96 0.15 0.00 -0.75 0.00 0.00 39.64 38.08 1sql n ILE 18 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1sql h ALA 19 N 3.27 1.12 -0.17 -1.39 0.00 -2.00 -2.45 119.26 117.65 1sql h ALA 19 Ca -0.50 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.12 1sql h ALA 19 Cb 1.24 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1sql h ALA 19 CO 0.67 0.58 -0.16 0.93 0.00 0.00 0.00 179.25 181.26 1sql h GLU 20 N 0.84 0.28 -0.32 0.00 3.07 -1.99 -1.71 114.58 114.74 1sql h GLU 20 Ca 0.18 -0.07 -0.08 0.00 -0.50 0.00 0.00 59.36 58.88 1sql h GLU 20 Cb 0.36 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 1sql h GLU 20 CO 0.01 0.44 -0.12 0.93 -1.40 0.00 0.00 179.01 178.87 1sql h GLU 21 N 0.26 0.64 -0.77 2.33 5.08 -1.81 0.24 114.58 120.56 1sql h GLU 21 Ca 0.05 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1sql h GLU 21 Cb 0.44 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 1sql h GLU 21 CO 0.03 0.84 0.51 0.00 -1.00 0.00 0.00 179.01 179.39 1sql h ARG 22 N 0.41 1.02 0.01 2.33 2.47 -1.09 0.18 114.38 119.70 1sql h ARG 22 Ca 0.08 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1sql h ARG 22 Cb 0.63 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 1sql h ARG 22 CO 0.04 0.68 -0.00 1.15 0.56 0.00 0.00 179.97 182.39 1sql h THR 23 N 1.05 1.43 0.03 2.04 2.02 -1.06 -3.39 112.91 115.02 1sql h THR 23 Ca 0.28 -1.99 -0.24 0.00 0.77 0.00 0.00 66.41 65.23 1sql h THR 23 Cb -0.11 2.66 0.01 0.00 -1.74 0.00 0.00 68.15 68.96 1sql h THR 23 CO -0.06 0.47 -1.02 -0.07 0.37 0.00 0.00 175.52 175.21 1sql h LEU 24 N -0.96 0.60 0.00 2.58 3.38 -0.50 -3.50 115.31 116.90 1sql h LEU 24 Ca -0.00 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1sql h LEU 24 Cb 0.78 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1sql h LEU 24 CO 0.00 1.32 0.00 0.61 0.09 0.00 0.00 178.44 180.46 1sql n GLY 25 N 1.08 -2.34 3.84 0.83 0.00 0.62 -5.03 105.19 104.19 1sql n GLY 25 Ca -0.08 -1.58 0.03 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.55 0.28 0.14 1.61 -2.07 -0.47 -4.91 119.66 113.69 1sql s GLN 26 Ca 0.00 -0.17 -0.19 0.00 -1.82 0.00 0.00 55.36 53.17 1sql s GLN 26 Cb 0.00 0.08 -0.07 0.00 -1.09 0.00 0.00 33.01 31.93 1sql s GLN 26 CO 0.00 -0.13 0.64 -1.64 -1.32 0.00 0.00 175.29 172.84 1sql s MET 27 N -2.12 4.22 0.09 9.60 -1.94 -1.26 -1.34 119.30 126.56 1sql s MET 27 Ca 0.24 0.79 0.09 0.00 -1.71 0.00 0.00 55.69 55.10 1sql s MET 27 Cb 0.02 -3.08 -0.03 0.00 2.01 0.00 0.00 34.83 33.75 1sql s MET 27 CO -0.03 0.53 -0.23 -0.06 -0.01 0.00 0.00 175.02 175.22 1sql s PHE 28 N -1.30 2.02 -0.08 -0.03 0.40 0.23 -4.21 117.98 115.00 1sql s PHE 28 Ca 0.36 -0.40 0.04 0.00 -0.60 0.00 0.00 56.93 56.33 1sql s PHE 28 Cb -0.18 -1.13 -0.01 0.00 0.51 0.00 0.00 43.02 42.20 1sql s PHE 28 CO 0.21 0.21 -0.22 -0.51 0.70 0.00 0.00 175.22 175.62 1sql s LEU 29 N -1.73 2.25 -0.04 -0.37 1.02 0.12 -1.87 118.68 118.07 1sql s LEU 29 Ca 0.10 -0.47 0.02 0.00 0.02 0.00 0.00 54.13 53.80 1sql s LEU 29 Cb -0.10 -1.45 0.01 0.00 0.02 0.00 0.00 46.19 44.68 1sql s LEU 29 CO 0.04 0.21 -0.07 -0.69 0.02 0.00 0.00 176.35 175.86 1sql s VAL 30 N 0.05 0.72 -0.10 -1.59 1.01 0.06 -0.38 120.40 120.16 1sql s VAL 30 Ca -0.09 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 61.66 1sql s VAL 30 Cb -0.15 -0.68 -0.00 0.00 0.00 0.00 0.00 36.38 35.54 1sql s VAL 30 CO 0.06 0.25 -0.22 -1.81 0.00 0.00 0.00 175.10 173.38 1sql s ASP 31 N 0.63 3.25 -0.07 3.32 1.01 -0.18 -0.96 116.67 123.67 1sql s ASP 31 Ca -0.10 -0.52 0.02 0.00 0.71 0.00 0.00 52.55 52.66 1sql s ASP 31 Cb -0.13 -1.44 0.02 0.00 1.01 0.00 0.00 42.92 42.37 1sql s ASP 31 CO 0.01 0.16 -0.10 -0.63 0.21 0.00 0.00 175.17 174.82 1sql s ILE 32 N 0.34 1.03 -0.19 0.77 1.09 -0.06 -0.66 121.20 123.52 1sql s ILE 32 Ca -0.18 -0.40 -0.02 0.00 -1.10 0.00 0.00 60.65 58.96 1sql s ILE 32 Cb -0.18 -0.97 -0.00 0.00 -1.06 0.00 0.00 42.46 40.25 1sql s ILE 32 CO 0.08 0.34 -0.11 -1.81 -0.10 0.00 0.00 174.94 173.35 1sql s ASP 33 N 0.84 3.90 -0.35 3.58 -0.00 -0.24 -1.33 116.67 123.07 1sql s ASP 33 Ca -0.11 -0.45 -0.01 0.00 -0.00 0.00 0.00 52.55 51.98 1sql s ASP 33 Cb -0.15 -1.64 0.09 0.00 -0.00 0.00 0.00 42.92 41.22 1sql s ASP 33 CO 0.02 0.03 0.09 0.00 -0.00 0.00 0.00 175.17 175.30 1sql s ALA 34 N 1.18 2.97 -0.10 5.23 0.00 -0.40 -1.12 121.76 129.52 1sql s ALA 34 Ca 0.02 -2.25 -0.30 0.00 0.00 0.00 0.00 51.96 49.43 1sql s ALA 34 Cb -0.14 -2.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 1sql s ALA 34 CO -0.04 -1.58 1.43 -1.58 0.00 0.00 0.00 175.76 173.98 1sql s TRP 35 N 1.13 2.53 -0.06 0.00 0.51 -0.49 -1.00 118.94 121.55 1sql s TRP 35 Ca 0.04 0.68 -0.27 0.00 -2.12 0.00 0.00 56.10 54.43 1sql s TRP 35 Cb -0.21 -3.68 0.06 0.00 -0.81 0.00 0.00 33.47 28.83 1sql s TRP 35 CO -0.04 -2.60 0.61 0.14 -0.51 0.00 0.00 176.95 174.55 1sql s VAL 36 N 3.51 0.01 0.01 4.03 -7.23 -0.98 -0.32 120.40 119.43 1sql s VAL 36 Ca 0.63 -0.08 -0.30 0.00 -1.81 0.00 0.00 61.98 60.41 1sql s VAL 36 Cb -0.27 -0.92 -0.04 0.00 0.56 0.00 0.00 36.38 35.70 1sql s VAL 36 CO 0.22 -0.05 1.15 -0.55 -0.31 0.00 0.00 175.10 175.56 1sql s SER 37 N -1.05 7.13 0.00 4.85 0.15 -1.26 -4.08 113.70 119.44 1sql s SER 37 Ca -0.10 1.88 0.09 0.00 0.70 0.00 0.00 55.95 58.51 1sql s SER 37 Cb -0.01 -2.57 0.19 0.00 -1.71 0.00 0.00 66.02 61.91 1sql s SER 37 CO 0.08 -0.46 1.06 0.18 1.20 0.00 0.00 173.24 175.31 1sql n LEU 38 N 4.28 2.41 -0.03 3.45 4.77 -1.26 -4.69 117.00 125.93 1sql n LEU 38 Ca 0.09 -1.67 -0.11 0.00 -0.03 0.00 0.00 56.01 54.29 1sql n LEU 38 Cb 0.47 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.40 1sql n LEU 38 CO 0.55 0.57 0.92 0.50 -1.33 0.00 0.00 177.39 178.59 1sql h LYS 39 N 1.65 0.22 0.19 3.23 1.63 -1.95 0.31 116.57 121.86 1sql h LYS 39 Ca 0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1sql h LYS 39 Cb 0.58 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.15 1sql h LYS 39 CO 0.00 0.19 -0.19 -0.22 -3.45 0.00 0.00 179.45 175.78 1sql h LYS 40 N 0.19 -0.40 -0.56 1.90 3.64 -1.90 -1.60 116.57 117.84 1sql h LYS 40 Ca 0.06 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1sql h LYS 40 Cb 0.02 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1sql h LYS 40 CO -0.01 -0.26 0.17 0.00 -2.27 0.00 0.00 179.45 177.07 1sql h ALA 41 N 0.34 1.24 0.00 5.00 0.00 -1.72 0.11 119.26 124.23 1sql h ALA 41 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1sql h ALA 41 Cb 0.39 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1sql h ALA 41 CO -0.05 0.53 -0.08 0.78 0.00 0.00 0.00 179.25 180.44 1sql h GLY 42 N 0.97 0.00 0.00 0.00 0.00 0.13 0.20 103.07 104.37 1sql h GLY 42 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 1sql h GLY 42 CO -0.01 0.00 -1.90 1.18 0.00 0.00 0.00 176.54 175.81 1sql n GLU 43 N -3.77 0.61 -0.07 4.80 1.02 -0.65 -4.54 120.64 118.03 1sql n GLU 43 Ca -0.02 -0.17 -0.06 0.00 -0.02 0.00 0.00 57.16 56.89 1sql n GLU 43 Cb 0.18 -1.46 -0.16 0.00 -0.02 0.00 0.00 31.44 29.98 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 -2.19 0.10 -2.08 1.62 3.41 0.31 -4.98 113.62 109.80 1sql n SER 44 Ca -0.05 0.04 -0.19 0.00 -0.26 0.00 0.00 58.87 58.42 1sql n SER 44 Cb 0.53 1.08 -0.01 0.00 -0.26 0.00 0.00 64.21 65.54 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 -2.68 -5.38 -4.40 4.04 2.03 0.70 -4.97 116.55 105.89 1sql n ASP 45 Ca -0.25 0.01 -0.37 0.00 0.52 0.00 0.00 54.79 54.70 1sql n ASP 45 Cb 1.03 -4.44 -0.13 0.00 -0.72 0.00 0.00 41.12 36.86 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 -2.20 5.12 0.40 1.67 3.84 -1.26 -4.97 114.94 117.54 1sql s ASN 46 Ca 0.00 -0.43 0.15 0.00 0.21 0.00 0.00 52.86 52.79 1sql s ASN 46 Cb 0.00 -1.91 1.00 0.00 -0.55 0.00 0.00 41.25 39.80 1sql s ASN 46 CO 0.00 -0.11 1.85 0.25 -2.79 0.00 0.00 177.10 176.30 1sql h LEU 47 N 8.24 0.49 -2.55 3.21 5.85 -1.93 0.11 115.31 128.74 1sql h LEU 47 Ca -0.36 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.43 1sql h LEU 47 Cb 1.15 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 1sql h LEU 47 CO 0.59 0.20 0.10 -0.33 -0.34 0.00 0.00 178.44 178.67 1sql h GLU 48 N 0.49 0.00 -0.01 1.25 5.08 -2.01 -0.79 114.58 118.59 1sql h GLU 48 Ca 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 1sql h GLU 48 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1sql h GLU 48 CO -0.20 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.56 1sql n ASP 49 N -3.37 0.81 -1.56 1.42 8.00 0.39 -4.88 116.55 117.36 1sql n ASP 49 Ca -0.02 -1.29 -0.04 0.00 0.71 0.00 0.00 54.79 54.16 1sql n ASP 49 Cb 0.19 -0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.27 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 -0.36 0.00 -4.89 -3.53 5.66 -0.30 -4.26 114.28 106.61 1sql n THR 50 Ca 0.21 -0.42 -0.33 0.00 -3.05 0.00 0.00 64.05 60.46 1sql n THR 50 Cb 0.24 0.19 -0.15 0.00 -1.55 0.00 0.00 70.33 69.06 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 -2.08 2.87 -0.06 1.09 -1.09 -1.26 -4.98 121.20 115.68 1sql s ILE 51 Ca 0.06 -0.74 -0.30 0.00 -2.23 0.00 0.00 60.65 57.44 1sql s ILE 51 Cb 0.00 -2.17 -0.04 0.00 -1.58 0.00 0.00 42.46 38.67 1sql s ILE 51 CO 0.04 0.54 1.42 -0.55 -1.23 0.00 0.00 174.94 175.17 1sql s SER 52 N 0.11 6.84 0.01 3.58 0.15 -1.26 -4.87 113.70 118.25 1sql s SER 52 Ca -0.07 2.02 0.12 0.00 0.70 0.00 0.00 55.95 58.71 1sql s SER 52 Cb -0.15 -2.55 0.51 0.00 -1.71 0.00 0.00 66.02 62.13 1sql s SER 52 CO 0.05 -0.78 1.38 0.00 1.20 0.00 0.00 173.24 175.09 1sql n TYR 53 N 6.17 0.02 0.11 3.44 -0.00 -1.26 -1.76 117.16 123.88 1sql n TYR 53 Ca 0.14 0.01 -0.19 0.00 -0.00 0.00 0.00 57.90 57.86 1sql n TYR 53 Cb 0.44 -0.51 -0.13 0.00 -0.00 0.00 0.00 39.34 39.13 1sql n TYR 53 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1sql h VAL 54 N 0.00 1.39 -0.30 -3.48 2.07 -1.99 -1.87 116.25 112.08 1sql h VAL 54 Ca 0.00 -2.79 -0.12 0.00 0.82 0.00 0.00 66.70 64.61 1sql h VAL 54 Cb 0.20 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 1sql h VAL 54 CO 0.00 0.83 -0.30 0.44 0.02 0.00 0.00 177.57 178.56 1sql h ASP 55 N 0.15 0.63 0.19 0.57 3.45 -1.74 0.85 116.42 120.52 1sql h ASP 55 Ca -0.17 -0.24 -0.16 0.00 0.43 0.00 0.00 57.03 56.88 1sql h ASP 55 Cb 1.98 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 40.57 1sql h ASP 55 CO 0.23 0.89 -0.62 0.40 -1.57 0.00 0.00 179.24 178.58 1sql h ILE 56 N 0.53 1.35 0.13 0.35 2.04 -1.52 -0.92 117.51 119.47 1sql h ILE 56 Ca 0.07 -1.94 -0.01 0.00 1.00 0.00 0.00 64.86 63.98 1sql h ILE 56 Cb 0.78 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 1sql h ILE 56 CO 0.06 0.59 -0.06 0.15 0.00 0.00 0.00 178.15 178.89 1sql h PHE 57 N 0.31 -0.16 -1.00 1.37 3.57 -1.11 -1.65 116.94 118.28 1sql h PHE 57 Ca -0.01 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.60 1sql h PHE 57 Cb 1.16 0.05 -0.08 0.00 2.79 0.00 0.00 35.95 39.87 1sql h PHE 57 CO 0.04 0.14 0.63 1.03 -2.23 0.00 0.00 178.31 177.92 1sql h SER 58 N -0.46 0.93 -0.39 0.41 0.87 -0.79 0.21 113.55 114.34 1sql h SER 58 Ca -0.02 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.53 1sql h SER 58 Cb 0.37 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 1sql h SER 58 CO 0.03 0.52 0.04 0.25 -0.53 0.00 0.00 176.83 177.14 1sql h LEU 59 N 1.02 0.64 -0.58 2.23 6.46 -1.05 -2.34 115.31 121.69 1sql h LEU 59 Ca 0.48 -0.28 -0.10 0.00 -0.12 0.00 0.00 57.88 57.86 1sql h LEU 59 Cb 0.43 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 1sql h LEU 59 CO -0.25 0.76 -0.03 0.00 -0.62 0.00 0.00 178.44 178.30 1sql h ALA 60 N 0.91 0.79 -0.59 1.25 0.00 -0.29 -2.80 119.26 118.53 1sql h ALA 60 Ca 0.12 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1sql h ALA 60 Cb 0.40 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1sql h ALA 60 CO 0.01 0.65 0.35 -0.22 0.00 0.00 0.00 179.25 180.04 1sql h LYS 61 N 0.94 0.66 -0.68 0.00 3.64 -0.52 -1.09 116.57 119.52 1sql h LYS 61 Ca 0.16 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1sql h LYS 61 Cb 0.59 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 1sql h LYS 61 CO 0.04 0.44 0.29 1.49 -2.27 0.00 0.00 179.45 179.44 1sql h GLU 62 N 0.68 0.98 0.13 1.90 4.81 -1.29 -1.55 114.58 120.23 1sql h GLU 62 Ca 0.24 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1sql h GLU 62 Cb 0.06 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1sql h GLU 62 CO -0.12 0.78 -0.06 0.82 -0.73 0.00 0.00 179.01 179.70 1sql h ILE 63 N 0.97 1.04 -0.32 2.32 1.08 -1.16 -0.74 117.51 120.69 1sql h ILE 63 Ca 0.23 -1.01 -0.08 0.00 -0.39 0.00 0.00 64.86 63.61 1sql h ILE 63 Cb 0.15 1.64 -0.02 0.00 -3.07 0.00 0.00 36.82 35.52 1sql h ILE 63 CO -0.02 0.23 -0.14 0.58 -0.69 0.00 0.00 178.15 178.10 1sql h VAL 64 N -0.68 1.24 -0.00 1.67 2.07 -1.17 -2.31 116.25 117.07 1sql h VAL 64 Ca -0.02 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1sql h VAL 64 Cb 0.51 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1sql h VAL 64 CO 0.03 0.36 -0.36 -0.62 0.02 0.00 0.00 177.57 177.00 1sql n GLU 65 N -4.18 0.18 0.00 1.57 1.02 -0.59 -4.39 120.64 114.25 1sql n GLU 65 Ca 0.01 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1sql n GLU 65 Cb 0.35 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 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 1.46 0.55 3.68 0.62 0.00 -0.29 -4.86 105.19 106.35 1sql n GLY 66 Ca 0.07 -1.47 -0.58 0.00 0.00 0.00 0.00 46.02 44.04 1sql n GLY 66 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sql n SER 67 N 0.00 1.87 -4.77 1.61 2.88 -1.26 -4.79 113.62 109.16 1sql n SER 67 Ca 0.00 1.11 -0.38 0.00 -1.33 0.00 0.00 58.87 58.27 1sql n SER 67 Cb 0.00 -1.09 -0.01 0.00 -0.75 0.00 0.00 64.21 62.37 1sql n SER 67 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1sql s PRO 68 N 2.60 3.87 0.28 -1.46 0.04 -1.26 -4.99 135.00 134.08 1sql s PRO 68 Ca 0.96 1.98 0.05 0.00 0.04 0.00 0.00 61.00 64.04 1sql s PRO 68 Cb -1.14 -2.61 -0.06 0.00 0.04 0.00 0.00 34.50 30.73 1sql s PRO 68 CO 0.64 -0.52 -0.02 1.03 0.04 0.00 0.00 177.00 178.18 1sql s ARG 69 N -2.42 1.53 -0.04 4.56 1.81 -1.26 -4.99 118.95 118.15 1sql s ARG 69 Ca 0.60 -1.80 -0.22 0.00 -1.72 0.00 0.00 55.73 52.59 1sql s ARG 69 Cb -0.34 -0.98 -0.27 0.00 -0.45 0.00 0.00 34.95 32.91 1sql s ARG 69 CO 0.42 -0.05 0.97 -0.91 -0.68 0.00 0.00 175.30 175.06 1sql h ASN 70 N 2.27 0.42 -3.24 0.23 2.35 -1.95 0.19 115.58 115.86 1sql h ASN 70 Ca -0.40 -0.87 -0.64 0.00 -0.55 0.00 0.00 56.30 53.84 1sql h ASN 70 Cb 1.23 -0.13 -0.11 0.00 0.05 0.00 0.00 38.32 39.36 1sql h ASN 70 CO 0.68 1.25 -0.65 -0.76 -1.65 0.00 0.00 177.43 176.30 1sql s LEU 71 N -8.14 3.50 0.27 1.61 2.01 -1.26 -2.31 118.68 114.37 1sql s LEU 71 Ca -0.14 -0.18 0.01 0.00 0.01 0.00 0.00 54.13 53.83 1sql s LEU 71 Cb 0.01 -2.21 0.38 0.00 0.01 0.00 0.00 46.19 44.38 1sql s LEU 71 CO 0.81 0.16 1.71 -0.07 1.01 0.00 0.00 176.35 179.97 1sql h LEU 72 N 3.28 0.54 -0.74 1.79 3.38 -1.96 -2.54 115.31 119.06 1sql h LEU 72 Ca -0.47 -0.18 0.14 0.00 0.09 0.00 0.00 57.88 57.46 1sql h LEU 72 Cb 1.17 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 41.68 1sql h LEU 72 CO 0.60 0.77 0.27 -0.33 0.09 0.00 0.00 178.44 179.84 1sql h GLU 73 N 0.47 0.40 0.06 1.13 3.07 -1.94 0.05 114.58 117.82 1sql h GLU 73 Ca 0.07 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1sql h GLU 73 Cb 0.66 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 1sql h GLU 73 CO 0.05 0.26 -0.03 1.15 -1.40 0.00 0.00 179.01 179.04 1sql h THR 74 N 0.41 1.09 -0.25 1.13 2.02 -1.87 -1.06 112.91 114.39 1sql h THR 74 Ca 0.40 -0.53 0.02 0.00 0.77 0.00 0.00 66.41 67.07 1sql h THR 74 Cb 0.62 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 1sql h THR 74 CO -0.41 0.13 0.12 0.58 0.37 0.00 0.00 175.52 176.31 1sql h VAL 75 N -0.32 0.98 -0.44 3.16 2.07 -1.26 0.25 116.25 120.69 1sql h VAL 75 Ca -0.01 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.44 1sql h VAL 75 Cb 0.28 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1sql h VAL 75 CO 0.01 0.05 0.27 0.00 0.02 0.00 0.00 177.57 177.92 1sql h ALA 76 N 1.13 0.56 -1.00 1.67 0.00 -1.00 -0.84 119.26 119.78 1sql h ALA 76 Ca 0.10 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1sql h ALA 76 Cb 0.04 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 1sql h ALA 76 CO -0.08 -0.04 0.66 1.49 0.00 0.00 0.00 179.25 181.28 1sql h GLU 77 N 0.55 1.23 -0.42 0.00 4.57 -0.73 -0.15 114.58 119.63 1sql h GLU 77 Ca 0.17 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.22 1sql h GLU 77 Cb -0.01 -0.28 -0.02 0.00 -0.16 0.00 0.00 28.75 28.29 1sql h GLU 77 CO -0.07 0.81 0.02 -0.07 -1.18 0.00 0.00 179.01 178.52 1sql h LEU 78 N 1.26 0.71 -0.34 1.64 3.38 -0.21 -1.42 115.31 120.33 1sql h LEU 78 Ca 0.40 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1sql h LEU 78 Cb 0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1sql h LEU 78 CO -0.13 0.83 0.20 0.40 0.09 0.00 0.00 178.44 179.83 1sql h ILE 79 N 0.57 1.12 0.55 1.22 2.04 -0.52 -1.31 117.51 121.18 1sql h ILE 79 Ca 0.12 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1sql h ILE 79 Cb 0.45 0.71 0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1sql h ILE 79 CO 0.02 0.12 -0.26 0.00 0.00 0.00 0.00 178.15 178.03 1sql h ALA 80 N 1.07 -0.73 -0.52 1.87 0.00 -0.91 -0.44 119.26 119.60 1sql h ALA 80 Ca 0.12 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1sql h ALA 80 Cb 0.03 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1sql h ALA 80 CO -0.02 -0.90 0.16 0.66 0.00 0.00 0.00 179.25 179.15 1sql h SER 81 N -0.76 0.72 -0.38 0.00 4.64 -1.26 -1.87 113.55 114.63 1sql h SER 81 Ca -0.08 -0.11 -0.14 0.00 -0.47 0.00 0.00 61.79 60.99 1sql h SER 81 Cb 0.58 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1sql h SER 81 CO 0.12 0.68 -0.32 0.11 -0.87 0.00 0.00 176.83 176.55 1sql h LYS 82 N 0.76 0.89 -0.08 4.77 1.79 -1.15 -0.95 116.57 122.60 1sql h LYS 82 Ca 0.17 -0.45 -0.00 0.00 -2.18 0.00 0.00 60.65 58.19 1sql h LYS 82 Cb 0.23 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1sql h LYS 82 CO -0.01 1.10 0.03 1.15 -1.08 0.00 0.00 179.45 180.64 1sql h THR 83 N 0.70 1.13 -0.33 -0.16 2.02 -0.81 -0.44 112.91 115.02 1sql h THR 83 Ca 0.07 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 66.81 1sql h THR 83 Cb 0.91 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 1sql h THR 83 CO 0.08 0.11 -0.06 -0.07 0.37 0.00 0.00 175.52 175.95 1sql h LEU 84 N -0.02 0.52 -0.24 2.58 3.38 -1.36 -1.02 115.31 119.16 1sql h LEU 84 Ca 0.03 -0.12 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 1sql h LEU 84 Cb 0.15 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1sql h LEU 84 CO -0.00 0.63 -0.43 -0.08 0.09 0.00 0.00 178.44 178.65 1sql h GLU 85 N 0.51 0.71 0.09 1.13 4.81 -0.99 -3.34 114.58 117.50 1sql h GLU 85 Ca 0.10 -0.45 -0.26 0.00 -0.13 0.00 0.00 59.36 58.63 1sql h GLU 85 Cb 0.43 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1sql h GLU 85 CO 0.02 1.07 -1.15 -0.22 -0.73 0.00 0.00 179.01 177.99 1sql h LYS 86 N 0.43 0.28 -3.44 1.92 3.64 -0.95 -3.41 116.57 115.04 1sql h LYS 86 Ca 0.01 -0.43 -0.66 0.00 -1.27 0.00 0.00 60.65 58.30 1sql h LYS 86 Cb 1.03 0.15 -0.39 0.00 -0.41 0.00 0.00 32.23 32.61 1sql h LYS 86 CO 0.10 1.17 -0.51 -0.06 -2.27 0.00 0.00 179.45 177.88 1sql s PHE 87 N -2.81 3.29 0.57 1.91 0.40 -0.40 -4.96 117.98 115.99 1sql s PHE 87 Ca -0.04 -2.99 0.27 0.00 -0.60 0.00 0.00 56.93 53.56 1sql s PHE 87 Cb 0.08 -2.98 1.55 0.00 0.51 0.00 0.00 43.02 42.17 1sql s PHE 87 CO 0.87 -0.78 2.07 0.45 0.70 0.00 0.00 175.22 178.54 1sql h HIS 88 N 6.67 0.00 0.00 0.36 3.86 -1.80 -1.27 115.15 122.96 1sql h HIS 88 Ca -0.04 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.14 1sql h HIS 88 Cb 0.91 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.38 1sql h HIS 88 CO 0.61 0.00 -0.14 1.96 0.86 0.00 0.00 177.93 181.22 1sql h GLN 89 N 0.00 0.00 -6.40 2.45 4.20 -1.92 -3.43 115.11 110.01 1sql h GLN 89 Ca 0.12 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.29 1sql h GLN 89 Cb 0.59 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.37 1sql h GLN 89 CO -0.00 0.14 0.93 0.42 -0.67 0.00 0.00 178.83 179.65 1sql s ILE 90 N -3.87 3.40 0.03 2.54 -1.09 -0.48 -4.76 121.20 116.97 1sql s ILE 90 Ca -0.01 0.79 0.10 0.00 -2.23 0.00 0.00 60.65 59.30 1sql s ILE 90 Cb 0.11 -3.51 -0.22 0.00 -1.58 0.00 0.00 42.46 37.26 1sql s ILE 90 CO 0.59 -0.01 0.94 0.78 -1.23 0.00 0.00 174.94 176.01 1sql h ASN 91 N 8.20 0.00 -4.15 3.58 -0.26 -0.96 -3.44 115.58 118.56 1sql h ASN 91 Ca -0.40 0.00 0.10 0.00 -0.56 0.00 0.00 56.30 55.44 1sql h ASN 91 Cb 1.19 0.00 -0.22 0.00 -1.06 0.00 0.00 38.32 38.23 1sql h ASN 91 CO 0.92 1.00 0.57 0.00 -1.06 0.00 0.00 177.43 178.85 1sql s ALA 92 N -2.65 -1.93 0.02 -0.83 0.00 -1.22 -1.60 121.76 113.55 1sql s ALA 92 Ca -0.02 1.53 0.04 0.00 0.00 0.00 0.00 51.96 53.51 1sql s ALA 92 Cb 0.09 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 1sql s ALA 92 CO 0.82 -0.36 -0.12 0.08 0.00 0.00 0.00 175.76 176.18 1sql s VAL 93 N -1.39 0.93 -0.18 0.00 1.01 0.15 -1.40 120.40 119.52 1sql s VAL 93 Ca -0.00 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1sql s VAL 93 Cb -0.01 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.56 1sql s VAL 93 CO -0.00 0.08 -0.18 -0.60 0.00 0.00 0.00 175.10 174.40 1sql s ARG 94 N -0.76 3.08 -0.14 2.72 3.52 -0.27 0.33 118.95 127.43 1sql s ARG 94 Ca 0.02 -0.80 0.02 0.00 -0.13 0.00 0.00 55.73 54.84 1sql s ARG 94 Cb -0.06 -2.62 0.01 0.00 -1.56 0.00 0.00 34.95 30.72 1sql s ARG 94 CO 0.00 -0.15 -0.21 0.08 -0.81 0.00 0.00 175.30 174.22 1sql s VAL 95 N 1.18 2.21 -0.32 7.11 1.01 0.68 -1.08 120.40 131.20 1sql s VAL 95 Ca 0.02 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.10 1sql s VAL 95 Cb -0.14 -1.89 0.09 0.00 0.00 0.00 0.00 36.38 34.44 1sql s VAL 95 CO -0.08 0.54 0.00 -0.54 0.00 0.00 0.00 175.10 175.02 1sql s LYS 96 N 0.75 1.78 -0.19 2.72 1.02 0.17 -1.18 119.74 124.81 1sql s LYS 96 Ca -0.08 -1.68 -0.05 0.00 0.02 0.00 0.00 55.97 54.17 1sql s LYS 96 Cb -0.16 -3.12 -0.03 0.00 -0.52 0.00 0.00 37.83 34.00 1sql s LYS 96 CO -0.00 -0.81 0.01 -1.17 -0.92 0.00 0.00 175.35 172.45 1sql s LEU 97 N 0.99 3.36 0.05 3.17 0.20 -0.85 -1.01 118.68 124.59 1sql s LEU 97 Ca 0.04 -0.14 -0.00 0.00 0.69 0.00 0.00 54.13 54.71 1sql s LEU 97 Cb -0.20 -1.85 -0.04 0.00 -0.43 0.00 0.00 46.19 43.68 1sql s LEU 97 CO -0.07 0.10 -0.04 -0.44 -0.29 0.00 0.00 176.35 175.61 1sql s SER 98 N 0.81 0.58 -0.33 3.68 0.01 0.49 -0.68 113.70 118.25 1sql s SER 98 Ca 0.01 -0.94 -0.06 0.00 1.31 0.00 0.00 55.95 56.27 1sql s SER 98 Cb -0.14 0.17 0.04 0.00 0.21 0.00 0.00 66.02 66.29 1sql s SER 98 CO 0.02 -0.54 0.10 -0.54 0.41 0.00 0.00 173.24 172.69 1sql s LYS 99 N -3.58 2.64 0.45 12.44 1.02 -0.37 -0.70 119.74 131.63 1sql s LYS 99 Ca 0.05 -1.16 0.25 0.00 0.02 0.00 0.00 55.97 55.13 1sql s LYS 99 Cb 0.05 -3.45 0.77 0.00 -0.52 0.00 0.00 37.83 34.68 1sql s LYS 99 CO -0.08 -0.65 1.76 -1.00 -0.92 0.00 0.00 175.35 174.46 1sql h PRO 100 N 8.21 0.00 -3.46 -1.68 0.13 -1.81 -2.94 132.00 130.45 1sql h PRO 100 Ca -0.24 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.26 1sql h PRO 100 Cb 1.08 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.81 1sql h PRO 100 CO 0.60 0.13 -0.68 -0.80 -0.23 0.00 0.00 178.00 177.03 1sql s ASN 101 N -6.09 4.19 -0.22 1.44 0.01 -1.26 -4.60 114.94 108.41 1sql s ASN 101 Ca 0.03 -2.74 -0.23 0.00 -0.71 0.00 0.00 52.86 49.22 1sql s ASN 101 Cb 0.08 -1.45 -0.01 0.00 0.41 0.00 0.00 41.25 40.28 1sql s ASN 101 CO 0.63 -0.27 0.74 -0.69 -1.51 0.00 0.00 177.10 176.01 1sql s VAL 102 N 0.12 4.92 0.40 1.60 1.01 -1.26 -4.97 120.40 122.22 1sql s VAL 102 Ca 0.16 1.41 -0.27 0.00 0.00 0.00 0.00 61.98 63.27 1sql s VAL 102 Cb -0.24 -4.04 -0.10 0.00 0.00 0.00 0.00 36.38 31.99 1sql s VAL 102 CO -0.02 0.01 1.48 0.00 0.00 0.00 0.00 175.10 176.57 1sql s ALA 103 N 2.41 3.48 -0.76 5.51 0.00 -1.26 -3.00 121.76 128.14 1sql s ALA 103 Ca 0.32 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.85 1sql s ALA 103 Cb -0.16 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1sql s ALA 103 CO 0.09 -1.13 0.00 1.28 0.00 0.00 0.00 175.76 176.00 1sql n LEU 104 N 0.24 -0.25 -4.44 0.00 4.77 -1.26 -4.98 117.00 111.07 1sql n LEU 104 Ca 0.02 0.18 -0.39 0.00 -0.03 0.00 0.00 56.01 55.79 1sql n LEU 104 Cb 0.40 -1.85 -0.11 0.00 -2.33 0.00 0.00 43.42 39.52 1sql n LEU 104 CO 0.63 -0.64 -0.19 -0.63 -1.33 0.00 0.00 177.39 175.22 1sql s ILE 105 N -1.99 4.66 -0.36 -0.08 1.09 -1.16 -4.97 121.20 118.39 1sql s ILE 105 Ca 0.00 -0.46 0.24 0.00 -1.10 0.00 0.00 60.65 59.33 1sql s ILE 105 Cb 0.00 -3.41 0.33 0.00 -1.06 0.00 0.00 42.46 38.32 1sql s ILE 105 CO 0.00 0.02 1.65 0.11 -0.10 0.00 0.00 174.94 176.62 1sql h LYS 106 N 8.38 0.00 -6.68 2.79 6.56 -1.94 -3.46 116.57 122.22 1sql h LYS 106 Ca -0.31 0.00 -0.45 0.00 -1.06 0.00 0.00 60.65 58.83 1sql h LYS 106 Cb 1.14 0.00 0.03 0.00 -0.57 0.00 0.00 32.23 32.83 1sql h LYS 106 CO 0.62 0.02 -0.11 -1.54 -2.06 0.00 0.00 179.45 176.38 1sql s SER 107 N -6.15 5.66 0.32 0.86 1.04 -1.26 -5.09 113.70 109.07 1sql s SER 107 Ca 0.06 0.09 -0.22 0.00 0.48 0.00 0.00 55.95 56.37 1sql s SER 107 Cb 0.06 -1.23 -0.09 0.00 0.10 0.00 0.00 66.02 64.85 1sql s SER 107 CO 0.66 -0.81 0.85 -0.89 0.98 0.00 0.00 173.24 174.02 1sql s THR 108 N -2.56 4.42 0.28 2.02 2.01 -1.26 -5.08 115.64 115.46 1sql s THR 108 Ca 0.51 1.47 -0.12 0.00 0.31 0.00 0.00 61.69 63.87 1sql s THR 108 Cb -0.10 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.59 1sql s THR 108 CO 0.37 0.02 0.52 0.27 -0.69 0.00 0.00 174.62 175.10 1sql s ILE 109 N -1.76 0.00 -0.17 1.82 -4.36 -1.26 -5.06 121.20 110.42 1sql s ILE 109 Ca 0.51 -1.38 -0.18 0.00 -0.26 0.00 0.00 60.65 59.34 1sql s ILE 109 Cb -0.15 -2.33 -0.22 0.00 1.25 0.00 0.00 42.46 41.01 1sql s ILE 109 CO 0.20 0.00 0.33 0.44 0.24 0.00 0.00 174.94 176.15 1sql h ASP 110 N 2.20 0.16 0.00 4.36 3.32 -1.97 -3.50 116.42 120.99 1sql h ASP 110 Ca -0.27 -0.69 0.00 0.00 0.02 0.00 0.00 57.03 56.09 1sql h ASP 110 Cb 1.25 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1sql h ASP 110 CO 0.36 1.57 0.00 0.00 -1.72 0.00 0.00 179.24 179.45 1sql n TYR 111 N -4.14 0.00 -4.92 4.55 0.18 -1.26 -4.57 117.16 107.00 1sql n TYR 111 Ca -0.30 0.00 -0.26 0.00 1.88 0.00 0.00 57.90 59.22 1sql n TYR 111 Cb 0.79 0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 39.60 1sql n TYR 111 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1sql s LEU 112 N 0.00 2.01 0.00 -3.48 1.43 -1.11 -4.98 118.68 112.55 1sql s LEU 112 Ca 0.00 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1sql s LEU 112 Cb 0.00 -1.00 0.00 0.00 0.03 0.00 0.00 46.19 45.22 1sql s LEU 112 CO 0.00 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.40 1sql n GLY 113 N 2.77 2.10 3.40 -3.19 0.00 -1.26 -1.24 105.19 107.77 1sql n GLY 113 Ca -0.16 -0.85 -0.26 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.80 2.22 -0.22 1.61 -7.23 0.15 -4.98 120.40 109.13 1sql s VAL 114 Ca 0.00 -1.99 -0.04 0.00 -1.81 0.00 0.00 61.98 58.14 1sql s VAL 114 Cb 0.00 -2.05 0.07 0.00 0.56 0.00 0.00 36.38 34.97 1sql s VAL 114 CO 0.00 -0.15 0.09 -0.62 -0.31 0.00 0.00 175.10 174.10 1sql s ASP 115 N -2.64 2.96 0.06 4.85 3.68 -1.26 -2.01 116.67 122.32 1sql s ASP 115 Ca 0.19 -0.94 0.09 0.00 2.13 0.00 0.00 52.55 54.02 1sql s ASP 115 Cb -0.08 -0.41 -0.03 0.00 -1.45 0.00 0.00 42.92 40.95 1sql s ASP 115 CO 0.09 -0.37 -0.25 0.27 0.13 0.00 0.00 175.17 175.04 1sql s ILE 116 N 2.01 2.01 -0.10 4.11 -4.36 -0.32 -4.99 121.20 119.56 1sql s ILE 116 Ca 0.04 -1.42 0.03 0.00 -0.26 0.00 0.00 60.65 59.04 1sql s ILE 116 Cb -0.16 -1.74 0.00 0.00 1.25 0.00 0.00 42.46 41.81 1sql s ILE 116 CO -0.18 0.24 -0.22 0.12 0.24 0.00 0.00 174.94 175.15 1sql s PHE 117 N -0.88 2.39 -0.08 1.37 5.36 -1.26 -0.23 117.98 124.66 1sql s PHE 117 Ca 0.11 -1.01 -0.01 0.00 -0.96 0.00 0.00 56.93 55.06 1sql s PHE 117 Cb -0.10 -1.62 0.03 0.00 -0.34 0.00 0.00 43.02 40.99 1sql s PHE 117 CO 0.03 -0.43 -0.02 1.03 -1.46 0.00 0.00 175.22 174.37 1sql s ARG 118 N 0.48 0.79 0.30 10.12 1.81 0.15 -4.97 118.95 127.63 1sql s ARG 118 Ca -0.16 0.03 -0.03 0.00 -1.72 0.00 0.00 55.73 53.85 1sql s ARG 118 Cb -0.17 -1.07 -0.04 0.00 -0.45 0.00 0.00 34.95 33.22 1sql s ARG 118 CO 0.06 -0.28 0.54 -0.65 -0.68 0.00 0.00 175.30 174.29 1sql s GLN 119 N 1.84 3.57 0.17 3.54 -0.21 -1.26 0.31 119.66 127.60 1sql s GLN 119 Ca 0.04 -0.14 -0.32 0.00 0.02 0.00 0.00 55.36 54.96 1sql s GLN 119 Cb -0.12 -2.67 -0.12 0.00 1.00 0.00 0.00 33.01 31.10 1sql s GLN 119 CO -0.05 0.20 1.76 -2.13 -2.12 0.00 0.00 175.29 172.95 1sql n ARG 120 N -1.20 2.72 -0.50 2.91 0.63 -0.63 -4.95 116.66 115.64 1sql n ARG 120 Ca -0.03 0.98 0.00 0.00 -0.92 0.00 0.00 57.85 57.88 1sql n ARG 120 Cb 0.55 -2.84 0.00 0.00 0.45 0.00 0.00 32.46 30.61 1sql n ARG 120 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21