#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 1.34 -0.19 1.61 -0.00 -1.26 -4.87 116.67 113.30 1sql s ASP 2 Ca 0.00 1.27 -0.29 0.00 -0.00 0.00 0.00 52.55 53.54 1sql s ASP 2 Cb 0.00 -1.97 0.12 0.00 -0.00 0.00 0.00 42.92 41.07 1sql s ASP 2 CO 0.00 -3.94 0.98 -1.59 -0.00 0.00 0.00 175.17 170.62 1sql s LYS 3 N -4.73 0.61 0.19 8.23 -2.85 -1.25 -1.67 119.74 118.27 1sql s LYS 3 Ca 0.68 0.30 -0.17 0.00 -1.00 0.00 0.00 55.97 55.77 1sql s LYS 3 Cb -0.21 0.29 -0.08 0.00 -2.06 0.00 0.00 37.83 35.77 1sql s LYS 3 CO 0.61 -0.16 0.65 -0.51 0.10 0.00 0.00 175.35 176.05 1sql s LEU 4 N -0.71 4.34 -0.09 2.77 2.01 -0.29 -4.89 118.68 121.82 1sql s LEU 4 Ca -0.01 1.28 0.05 0.00 0.01 0.00 0.00 54.13 55.45 1sql s LEU 4 Cb -0.02 -3.47 -0.00 0.00 0.01 0.00 0.00 46.19 42.71 1sql s LEU 4 CO -0.00 0.06 -0.24 -0.63 1.01 0.00 0.00 176.35 176.55 1sql s ILE 5 N -1.51 2.08 -0.26 -0.59 -1.09 -1.26 -1.84 121.20 116.74 1sql s ILE 5 Ca 0.41 -1.03 0.01 0.00 -2.23 0.00 0.00 60.65 57.82 1sql s ILE 5 Cb -0.16 -1.78 0.07 0.00 -1.58 0.00 0.00 42.46 39.01 1sql s ILE 5 CO 0.20 0.56 -0.02 -0.76 -1.23 0.00 0.00 174.94 173.69 1sql s LEU 6 N 0.19 2.86 -0.13 2.97 1.02 -0.19 -5.01 118.68 120.39 1sql s LEU 6 Ca -0.14 -1.38 -0.02 0.00 0.02 0.00 0.00 54.13 52.61 1sql s LEU 6 Cb -0.17 -1.21 -0.03 0.00 0.02 0.00 0.00 46.19 44.81 1sql s LEU 6 CO 0.07 -0.28 -0.06 -0.75 0.02 0.00 0.00 176.35 175.35 1sql s LYS 7 N 1.35 3.40 -1.50 1.70 2.47 -1.26 -0.19 119.74 125.72 1sql s LYS 7 Ca -0.02 -0.56 -0.06 0.00 -1.56 0.00 0.00 55.97 53.77 1sql s LYS 7 Cb -0.19 -2.78 0.02 0.00 -1.46 0.00 0.00 37.83 33.42 1sql s LYS 7 CO -0.09 0.33 0.74 0.41 0.16 0.00 0.00 175.35 176.91 1sql n GLY 8 N 3.23 -0.53 3.68 5.54 0.00 -1.21 -4.94 105.19 110.97 1sql n GLY 8 Ca -0.18 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -6.84 4.35 -0.19 0.99 1.02 -0.32 -4.75 118.68 112.94 1sql s LEU 9 Ca 0.39 2.39 -0.05 0.00 0.02 0.00 0.00 54.13 56.88 1sql s LEU 9 Cb -0.18 -3.55 -0.03 0.00 0.02 0.00 0.00 46.19 42.45 1sql s LEU 9 CO 0.48 -0.89 0.01 -0.54 0.02 0.00 0.00 176.35 175.44 1sql s LYS 10 N 3.08 3.68 0.06 1.70 1.02 -1.26 -0.34 119.74 127.68 1sql s LYS 10 Ca 0.73 -0.49 0.03 0.00 0.02 0.00 0.00 55.97 56.26 1sql s LYS 10 Cb -0.37 -3.10 -0.03 0.00 -0.52 0.00 0.00 37.83 33.81 1sql s LYS 10 CO 0.31 0.07 -0.08 -0.06 -0.92 0.00 0.00 175.35 174.67 1sql s PHE 11 N 0.86 0.78 -0.26 3.18 0.08 -0.63 -4.97 117.98 117.03 1sql s PHE 11 Ca 0.01 -0.56 -0.09 0.00 0.12 0.00 0.00 56.93 56.41 1sql s PHE 11 Cb -0.14 -0.46 -0.04 0.00 -0.57 0.00 0.00 43.02 41.81 1sql s PHE 11 CO 0.02 -0.07 0.13 -0.47 -0.10 0.00 0.00 175.22 174.73 1sql s TYR 12 N -1.75 3.18 0.34 0.36 6.14 -1.26 0.06 117.35 124.41 1sql s TYR 12 Ca -0.05 -0.09 0.05 0.00 0.64 0.00 0.00 57.07 57.62 1sql s TYR 12 Cb -0.07 -2.29 -0.03 0.00 0.42 0.00 0.00 41.96 39.99 1sql s TYR 12 CO -0.00 -0.19 0.21 0.20 0.64 0.00 0.00 175.55 176.41 1sql s GLY 13 N 1.52 2.35 -0.22 8.97 0.00 0.03 -4.46 107.32 115.52 1sql s GLY 13 Ca 0.06 -1.76 0.11 0.00 0.00 0.00 0.00 44.72 43.13 1sql s GLY 13 CO 0.07 -1.59 1.25 0.69 0.00 0.00 0.00 173.10 173.52 1sql n PHE 14 N -0.69 0.13 -1.48 1.90 3.01 -1.26 -0.36 117.46 118.71 1sql n PHE 14 Ca 0.02 -1.50 -0.31 0.00 1.01 0.00 0.00 57.45 56.67 1sql n PHE 14 Cb 0.64 -0.28 0.06 0.00 -0.01 0.00 0.00 39.48 39.89 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 -3.23 2.89 0.00 1.38 3.76 -1.26 -4.08 115.29 114.75 1sql s HIS 15 Ca 0.39 1.48 0.00 0.00 -0.15 0.00 0.00 55.06 56.78 1sql s HIS 15 Cb 0.37 -2.96 0.00 0.00 1.11 0.00 0.00 32.58 31.11 1sql s HIS 15 CO -0.06 -1.45 0.00 0.41 -0.85 0.00 0.00 174.74 172.79 1sql n GLY 16 N -1.61 4.38 0.11 -2.22 0.00 0.21 -4.62 105.19 101.43 1sql n GLY 16 Ca 0.08 -1.49 -0.21 0.00 0.00 0.00 0.00 46.02 44.40 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 0.25 -2.14 4.61 0.00 -1.79 -3.35 119.26 116.84 1sql h ALA 17 Ca 0.00 -1.15 -0.60 0.00 0.00 0.00 0.00 54.91 53.16 1sql h ALA 17 Cb 0.00 0.64 0.09 0.00 0.00 0.00 0.00 17.79 18.52 1sql h ALA 17 CO 0.00 0.71 0.39 -0.89 0.00 0.00 0.00 179.25 179.46 1sql n ILE 18 N -4.30 1.39 -0.16 0.00 2.08 -1.26 -4.90 119.36 112.21 1sql n ILE 18 Ca -0.29 -0.35 -0.08 0.00 0.56 0.00 0.00 62.75 62.59 1sql n ILE 18 Cb 0.72 -1.22 0.01 0.00 -0.75 0.00 0.00 39.64 38.40 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 3.16 0.60 -0.22 -1.39 0.00 -2.01 -2.66 119.26 116.73 1sql h ALA 19 Ca -0.43 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1sql h ALA 19 Cb 1.31 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1sql h ALA 19 CO 0.68 0.12 0.14 0.93 0.00 0.00 0.00 179.25 181.12 1sql h GLU 20 N 0.62 0.29 -0.63 0.00 3.07 -2.00 -2.17 114.58 113.76 1sql h GLU 20 Ca 0.17 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.92 1sql h GLU 20 Cb 0.04 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 1sql h GLU 20 CO -0.03 0.20 0.07 0.93 -1.40 0.00 0.00 179.01 178.78 1sql h GLU 21 N 0.30 1.07 -0.30 2.33 5.08 -1.84 -0.72 114.58 120.50 1sql h GLU 21 Ca 0.08 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.10 1sql h GLU 21 Cb -0.03 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1sql h GLU 21 CO -0.02 1.00 0.02 0.00 -1.00 0.00 0.00 179.01 179.01 1sql h ARG 22 N 0.99 0.46 0.07 2.33 3.08 -1.31 0.96 114.38 120.95 1sql h ARG 22 Ca 0.19 -0.08 -0.21 0.00 0.07 0.00 0.00 59.98 59.94 1sql h ARG 22 Cb 0.47 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1sql h ARG 22 CO 0.02 0.47 -1.10 1.79 -1.07 0.00 0.00 179.97 180.07 1sql h THR 23 N 0.44 1.16 -0.19 2.04 1.35 -1.43 -3.39 112.91 112.89 1sql h THR 23 Ca 0.10 -2.35 -0.17 0.00 -0.55 0.00 0.00 66.41 63.44 1sql h THR 23 Cb 0.27 2.75 0.00 0.00 -1.73 0.00 0.00 68.15 69.44 1sql h THR 23 CO 0.01 0.60 -0.56 -0.07 -0.25 0.00 0.00 175.52 175.25 1sql h LEU 24 N -0.58 0.82 0.00 3.87 3.38 -1.13 -3.50 115.31 118.17 1sql h LEU 24 Ca -0.25 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.13 1sql h LEU 24 Cb 1.52 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1sql h LEU 24 CO -0.01 1.26 0.00 0.61 0.09 0.00 0.00 178.44 180.40 1sql n GLY 25 N 0.54 -2.24 0.00 0.83 0.00 0.33 -5.01 105.19 99.63 1sql n GLY 25 Ca -0.06 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1sql n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sql n GLN 26 N -0.32 -0.71 -3.02 1.61 10.64 0.52 -4.95 117.38 121.14 1sql n GLN 26 Ca 0.00 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.82 1sql n GLN 26 Cb 0.00 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.32 1sql n GLN 26 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 1sql s MET 27 N -2.00 4.25 -0.00 2.61 -1.94 -1.26 -0.79 119.30 120.17 1sql s MET 27 Ca 0.00 0.93 0.05 0.00 -1.71 0.00 0.00 55.69 54.96 1sql s MET 27 Cb 0.00 -2.68 -0.01 0.00 2.01 0.00 0.00 34.83 34.15 1sql s MET 27 CO 0.00 0.27 -0.15 -0.06 -0.01 0.00 0.00 175.02 175.07 1sql s PHE 28 N -1.72 1.32 -0.16 -0.03 0.40 0.11 -4.35 117.98 113.55 1sql s PHE 28 Ca 0.49 -0.26 -0.06 0.00 -0.60 0.00 0.00 56.93 56.50 1sql s PHE 28 Cb -0.15 -0.84 -0.04 0.00 0.51 0.00 0.00 43.02 42.51 1sql s PHE 28 CO 0.20 -0.01 0.02 -1.17 0.70 0.00 0.00 175.22 174.96 1sql s LEU 29 N -0.45 3.60 -0.07 -0.37 2.96 0.00 -1.61 118.68 122.75 1sql s LEU 29 Ca 0.05 0.02 -0.00 0.00 -0.22 0.00 0.00 54.13 53.98 1sql s LEU 29 Cb -0.06 -1.89 0.03 0.00 0.50 0.00 0.00 46.19 44.77 1sql s LEU 29 CO -0.00 0.20 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.51 1sql s VAL 30 N 0.20 0.52 -0.08 1.68 1.01 0.54 -0.57 120.40 123.70 1sql s VAL 30 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 1sql s VAL 30 Cb -0.13 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1sql s VAL 30 CO 0.01 0.26 -0.03 -1.81 0.00 0.00 0.00 175.10 173.53 1sql s ASP 31 N 1.53 4.97 -0.04 3.32 1.01 -0.16 -1.17 116.67 126.13 1sql s ASP 31 Ca -0.01 0.06 0.01 0.00 0.71 0.00 0.00 52.55 53.31 1sql s ASP 31 Cb -0.13 -1.37 0.02 0.00 1.01 0.00 0.00 42.92 42.45 1sql s ASP 31 CO -0.04 0.36 -0.02 -0.63 0.21 0.00 0.00 175.17 175.05 1sql s ILE 32 N -0.76 0.39 -0.14 0.77 -1.09 0.74 -1.19 121.20 119.92 1sql s ILE 32 Ca 0.12 -0.03 0.02 0.00 -2.23 0.00 0.00 60.65 58.53 1sql s ILE 32 Cb -0.11 -0.45 0.00 0.00 -1.58 0.00 0.00 42.46 40.32 1sql s ILE 32 CO 0.02 0.20 -0.19 -1.81 -1.23 0.00 0.00 174.94 171.93 1sql s ASP 33 N 1.04 3.35 -0.28 3.58 -0.00 -0.35 -1.02 116.67 122.99 1sql s ASP 33 Ca -0.09 -0.54 0.03 0.00 -0.00 0.00 0.00 52.55 51.94 1sql s ASP 33 Cb -0.14 -1.49 0.07 0.00 -0.00 0.00 0.00 42.92 41.35 1sql s ASP 33 CO -0.01 0.09 -0.07 0.00 -0.00 0.00 0.00 175.17 175.18 1sql s ALA 34 N 0.78 2.65 -0.18 5.23 0.00 -0.76 -0.89 121.76 128.59 1sql s ALA 34 Ca -0.07 -1.90 -0.29 0.00 0.00 0.00 0.00 51.96 49.70 1sql s ALA 34 Cb -0.16 -1.69 -0.02 0.00 0.00 0.00 0.00 23.12 21.25 1sql s ALA 34 CO -0.01 -1.29 1.44 -1.58 0.00 0.00 0.00 175.76 174.32 1sql s TRP 35 N 1.08 2.45 -0.28 0.00 0.51 -0.01 -1.14 118.94 121.56 1sql s TRP 35 Ca -0.05 0.70 -0.19 0.00 -2.12 0.00 0.00 56.10 54.44 1sql s TRP 35 Cb -0.20 -3.78 0.09 0.00 -0.81 0.00 0.00 33.47 28.77 1sql s TRP 35 CO -0.05 -2.45 0.77 0.54 -0.51 0.00 0.00 176.95 175.25 1sql s VAL 36 N 4.21 0.00 0.14 4.03 0.11 -0.67 -0.87 120.40 127.34 1sql s VAL 36 Ca 0.63 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.37 1sql s VAL 36 Cb -0.24 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.51 1sql s VAL 36 CO 0.23 0.00 1.81 -0.55 -3.33 0.00 0.00 175.10 173.26 1sql s SER 37 N 1.15 6.42 0.00 3.54 0.15 -1.26 -3.82 113.70 119.88 1sql s SER 37 Ca -0.06 2.77 0.10 0.00 0.70 0.00 0.00 55.95 59.46 1sql s SER 37 Cb -0.05 -2.57 0.05 0.00 -1.71 0.00 0.00 66.02 61.74 1sql s SER 37 CO -0.13 -1.00 0.74 0.18 1.20 0.00 0.00 173.24 174.23 1sql n LEU 38 N 5.39 1.58 -0.25 3.45 4.77 -1.26 -4.68 117.00 126.01 1sql n LEU 38 Ca 0.17 -0.92 0.01 0.00 -0.03 0.00 0.00 56.01 55.25 1sql n LEU 38 Cb 0.38 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.61 1sql n LEU 38 CO 0.65 0.31 1.07 0.50 -1.33 0.00 0.00 177.39 178.59 1sql h LYS 39 N 1.60 0.59 0.87 3.23 3.64 -1.97 -1.11 116.57 123.43 1sql h LYS 39 Ca 0.00 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1sql h LYS 39 Cb 0.37 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1sql h LYS 39 CO 0.00 0.39 -0.44 -0.22 -2.27 0.00 0.00 179.45 176.91 1sql h LYS 40 N 0.61 -1.15 -0.59 1.90 3.64 -1.91 -2.57 116.57 116.49 1sql h LYS 40 Ca 0.35 0.08 0.14 0.00 -1.27 0.00 0.00 60.65 59.96 1sql h LYS 40 Cb 0.37 0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 1sql h LYS 40 CO -0.27 -0.77 0.41 0.00 -2.27 0.00 0.00 179.45 176.56 1sql h ALA 41 N -1.41 2.34 0.00 5.00 0.00 -1.70 0.37 119.26 123.86 1sql h ALA 41 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1sql h ALA 41 Cb 0.92 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1sql h ALA 41 CO 0.18 -0.50 0.00 0.41 0.00 0.00 0.00 179.25 179.35 1sql n GLY 42 N -1.59 -1.22 0.07 0.00 0.00 -0.43 -0.83 105.19 101.19 1sql n GLY 42 Ca 0.11 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 1sql n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sql n GLU 43 N -1.63 1.42 0.06 1.61 1.02 0.12 -4.54 120.64 118.69 1sql n GLU 43 Ca 0.04 0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.33 1sql n GLU 43 Cb 0.24 -1.34 0.12 0.00 -0.02 0.00 0.00 31.44 30.45 1sql n GLU 43 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1sql h SER 44 N 0.00 0.00 -5.44 1.62 4.64 -1.13 -3.48 113.55 109.77 1sql h SER 44 Ca -0.36 -0.20 -0.39 0.00 -0.47 0.00 0.00 61.79 60.36 1sql h SER 44 Cb 1.74 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.77 1sql h SER 44 CO -0.00 0.10 -0.59 -0.67 -0.87 0.00 0.00 176.83 174.80 1sql n ASP 45 N -2.19 -4.09 -4.22 4.97 2.03 -0.01 -4.94 116.55 108.10 1sql n ASP 45 Ca 0.03 -0.43 -0.34 0.00 0.52 0.00 0.00 54.79 54.56 1sql n ASP 45 Cb 0.46 -3.36 -0.15 0.00 -0.72 0.00 0.00 41.12 37.35 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 -2.78 3.93 0.55 1.67 2.47 -1.25 -5.01 114.94 114.52 1sql s ASN 46 Ca 0.42 -0.61 0.29 0.00 0.42 0.00 0.00 52.86 53.38 1sql s ASN 46 Cb -0.22 -1.63 1.46 0.00 -1.45 0.00 0.00 41.25 39.41 1sql s ASN 46 CO 0.52 -0.04 1.92 0.25 -3.72 0.00 0.00 177.10 176.02 1sql h LEU 47 N 8.03 0.00 -0.89 3.21 7.12 -1.92 0.18 115.31 131.03 1sql h LEU 47 Ca -0.40 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.61 1sql h LEU 47 Cb 1.14 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.27 1sql h LEU 47 CO 0.61 0.00 0.00 -0.33 -0.13 0.00 0.00 178.44 178.59 1sql h GLU 48 N 0.00 0.00 -0.01 1.25 5.08 -2.00 -2.96 114.58 115.95 1sql h GLU 48 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1sql h GLU 48 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1sql h GLU 48 CO -0.00 0.00 -0.02 -0.25 -1.00 0.00 0.00 179.01 177.74 1sql n ASP 49 N -2.71 0.82 -2.88 1.42 8.00 0.05 -4.88 116.55 116.38 1sql n ASP 49 Ca 0.02 -1.19 -0.16 0.00 0.71 0.00 0.00 54.79 54.18 1sql n ASP 49 Cb 0.32 -0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.36 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 -0.41 0.00 -4.03 -3.53 5.66 -1.12 -4.18 114.28 106.66 1sql n THR 50 Ca 0.20 -1.60 -0.35 0.00 -3.05 0.00 0.00 64.05 59.25 1sql n THR 50 Cb 0.26 0.65 -0.12 0.00 -1.55 0.00 0.00 70.33 69.56 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 -2.68 4.06 0.03 1.09 1.01 -1.26 -4.99 121.20 118.46 1sql s ILE 51 Ca 0.18 -0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.25 1sql s ILE 51 Cb 0.01 -2.84 -0.07 0.00 0.01 0.00 0.00 42.46 39.57 1sql s ILE 51 CO 0.13 0.42 1.56 -0.55 0.00 0.00 0.00 174.94 176.50 1sql s SER 52 N 1.02 6.70 0.09 3.58 0.15 -1.26 -4.85 113.70 119.13 1sql s SER 52 Ca 0.02 2.33 0.11 0.00 0.70 0.00 0.00 55.95 59.11 1sql s SER 52 Cb -0.14 -2.56 0.51 0.00 -1.71 0.00 0.00 66.02 62.12 1sql s SER 52 CO 0.02 -0.83 1.34 0.00 1.20 0.00 0.00 173.24 174.97 1sql n TYR 53 N 5.63 0.24 0.01 3.44 -0.00 -1.26 -0.92 117.16 124.30 1sql n TYR 53 Ca 0.15 0.11 -0.17 0.00 -0.00 0.00 0.00 57.90 57.99 1sql n TYR 53 Cb 0.42 -0.68 -0.07 0.00 -0.00 0.00 0.00 39.34 39.00 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 1.29 -0.39 -3.48 2.07 -1.98 0.05 116.25 113.81 1sql h VAL 54 Ca 0.00 -2.09 -0.08 0.00 0.82 0.00 0.00 66.70 65.35 1sql h VAL 54 Cb 0.11 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1sql h VAL 54 CO 0.00 0.65 -0.10 0.44 0.02 0.00 0.00 177.57 178.58 1sql h ASP 55 N 0.47 0.66 0.11 0.57 3.45 -1.41 0.19 116.42 120.46 1sql h ASP 55 Ca -0.08 -0.18 -0.19 0.00 0.43 0.00 0.00 57.03 57.01 1sql h ASP 55 Cb 1.50 -0.18 -0.00 0.00 -0.56 0.00 0.00 39.33 40.09 1sql h ASP 55 CO 0.17 0.80 -0.71 0.40 -1.57 0.00 0.00 179.24 178.33 1sql h ILE 56 N 0.62 1.34 0.12 0.35 2.04 -1.42 -2.17 117.51 118.39 1sql h ILE 56 Ca 0.11 -2.04 -0.01 0.00 1.00 0.00 0.00 64.86 63.93 1sql h ILE 56 Cb 0.54 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 1sql h ILE 56 CO 0.03 0.62 -0.06 0.15 0.00 0.00 0.00 178.15 178.90 1sql h PHE 57 N 0.37 -0.14 -0.66 1.37 3.57 -0.40 -2.33 116.94 118.72 1sql h PHE 57 Ca -0.03 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.50 1sql h PHE 57 Cb 1.29 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 40.04 1sql h PHE 57 CO 0.06 -0.05 0.40 0.77 -2.23 0.00 0.00 178.31 177.25 1sql h SER 58 N -0.20 0.64 -0.37 0.41 0.02 -0.61 0.84 113.55 114.27 1sql h SER 58 Ca -0.02 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1sql h SER 58 Cb 0.16 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 1sql h SER 58 CO 0.03 0.44 0.18 0.25 -1.14 0.00 0.00 176.83 176.58 1sql h LEU 59 N 0.77 0.26 -0.47 5.07 6.46 -1.27 -0.56 115.31 125.57 1sql h LEU 59 Ca 0.27 0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 57.98 1sql h LEU 59 Cb 0.06 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 39.94 1sql h LEU 59 CO -0.12 0.19 0.00 0.00 -0.62 0.00 0.00 178.44 177.89 1sql h ALA 60 N 1.20 0.63 -0.85 1.25 0.00 -0.85 -2.12 119.26 118.53 1sql h ALA 60 Ca 0.16 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1sql h ALA 60 Cb 0.08 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1sql h ALA 60 CO -0.12 0.43 0.54 -0.22 0.00 0.00 0.00 179.25 179.88 1sql h LYS 61 N 0.68 1.14 -0.48 0.00 3.64 -0.64 -0.31 116.57 120.59 1sql h LYS 61 Ca 0.13 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 1sql h LYS 61 Cb 0.50 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1sql h LYS 61 CO 0.02 0.77 0.00 1.49 -2.27 0.00 0.00 179.45 179.47 1sql h GLU 62 N 1.16 0.80 0.47 1.90 4.81 -0.93 -1.18 114.58 121.61 1sql h GLU 62 Ca 0.31 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1sql h GLU 62 Cb -0.10 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.19 1sql h GLU 62 CO -0.06 0.81 -0.23 0.82 -0.73 0.00 0.00 179.01 179.62 1sql h ILE 63 N 0.75 0.11 -0.91 2.32 1.08 -0.75 -1.95 117.51 118.17 1sql h ILE 63 Ca 0.15 -0.55 0.03 0.00 -0.39 0.00 0.00 64.86 64.09 1sql h ILE 63 Cb 0.45 0.18 -0.05 0.00 -3.07 0.00 0.00 36.82 34.33 1sql h ILE 63 CO 0.02 0.02 0.60 0.58 -0.69 0.00 0.00 178.15 178.68 1sql h VAL 64 N -1.13 1.18 -0.01 1.67 2.07 -1.12 -0.91 116.25 117.99 1sql h VAL 64 Ca -0.06 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1sql h VAL 64 Cb 0.53 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1sql h VAL 64 CO 0.11 0.21 -0.03 -0.62 0.02 0.00 0.00 177.57 177.26 1sql n GLU 65 N -4.43 1.50 0.00 1.57 1.02 -0.45 -4.30 120.64 115.55 1sql n GLU 65 Ca 0.12 -0.81 0.00 0.00 -0.02 0.00 0.00 57.16 56.44 1sql n GLU 65 Cb 0.08 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 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 1.18 1.18 3.65 0.62 0.00 -0.35 -4.88 105.19 106.60 1sql n GLY 66 Ca 0.19 -1.60 -0.50 0.00 0.00 0.00 0.00 46.02 44.10 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 0.00 2.61 -4.75 1.61 7.64 -1.26 -4.75 113.62 114.72 1sql n SER 67 Ca 0.00 1.07 -0.41 0.00 1.01 0.00 0.00 58.87 60.54 1sql n SER 67 Cb 0.00 -1.30 0.01 0.00 -1.01 0.00 0.00 64.21 61.91 1sql n SER 67 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1sql n PRO 68 N 4.11 2.26 -4.17 1.43 -0.04 -1.26 -4.98 135.00 132.35 1sql n PRO 68 Ca 0.20 0.80 -0.13 0.00 -0.04 0.00 0.00 63.50 64.33 1sql n PRO 68 Cb 0.23 -2.56 -0.11 0.00 -0.04 0.00 0.00 33.50 31.03 1sql n PRO 68 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1sql s ARG 69 N -2.27 0.83 0.17 0.54 1.81 -1.26 -5.00 118.95 113.77 1sql s ARG 69 Ca 0.59 -1.19 0.01 0.00 -1.72 0.00 0.00 55.73 53.42 1sql s ARG 69 Cb -0.48 -0.43 0.03 0.00 -0.45 0.00 0.00 34.95 33.62 1sql s ARG 69 CO 0.59 0.05 1.40 -0.91 -0.68 0.00 0.00 175.30 175.76 1sql h ASN 70 N 3.43 0.35 -4.02 0.23 2.35 -1.94 0.61 115.58 116.58 1sql h ASN 70 Ca -0.37 -0.26 -0.61 0.00 -0.55 0.00 0.00 56.30 54.51 1sql h ASN 70 Cb 1.18 -0.11 -0.22 0.00 0.05 0.00 0.00 38.32 39.23 1sql h ASN 70 CO 0.56 1.03 -0.84 -0.76 -1.65 0.00 0.00 177.43 175.76 1sql s LEU 71 N -7.66 2.32 0.29 1.61 1.43 -1.26 -2.84 118.68 112.56 1sql s LEU 71 Ca -0.04 -0.72 0.03 0.00 -1.03 0.00 0.00 54.13 52.36 1sql s LEU 71 Cb 0.10 -1.03 0.46 0.00 0.03 0.00 0.00 46.19 45.75 1sql s LEU 71 CO 0.83 0.11 1.76 -0.07 0.23 0.00 0.00 176.35 179.21 1sql h LEU 72 N 3.95 0.50 -0.52 1.79 3.38 -1.95 -2.61 115.31 119.84 1sql h LEU 72 Ca -0.48 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 57.42 1sql h LEU 72 Cb 1.18 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.73 1sql h LEU 72 CO 0.40 0.69 0.18 -0.33 0.09 0.00 0.00 178.44 179.47 1sql h GLU 73 N 0.46 0.35 -0.43 1.13 3.07 -1.94 0.37 114.58 117.58 1sql h GLU 73 Ca 0.08 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.91 1sql h GLU 73 Cb 0.57 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 1sql h GLU 73 CO 0.04 0.23 0.24 1.15 -1.40 0.00 0.00 179.01 179.27 1sql h THR 74 N 0.36 1.15 -0.48 1.13 2.02 -1.89 0.96 112.91 116.16 1sql h THR 74 Ca 0.25 -0.39 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 1sql h THR 74 Cb 0.28 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1sql h THR 74 CO -0.26 0.16 0.17 0.58 0.37 0.00 0.00 175.52 176.54 1sql h VAL 75 N 0.56 1.22 -0.79 3.16 2.07 -1.09 -0.54 116.25 120.84 1sql h VAL 75 Ca 0.15 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 1sql h VAL 75 Cb 0.04 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1sql h VAL 75 CO -0.03 0.26 0.35 0.00 0.02 0.00 0.00 177.57 178.17 1sql h ALA 76 N 1.02 1.12 -0.36 1.67 0.00 -0.05 -1.58 119.26 121.08 1sql h ALA 76 Ca 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1sql h ALA 76 Cb 0.23 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1sql h ALA 76 CO -0.01 0.64 0.17 1.49 0.00 0.00 0.00 179.25 181.55 1sql h GLU 77 N 1.14 0.52 -0.82 0.00 4.57 -0.43 -1.85 114.58 117.71 1sql h GLU 77 Ca 0.27 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.35 1sql h GLU 77 Cb 0.17 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.62 1sql h GLU 77 CO -0.03 0.47 0.42 -0.07 -1.18 0.00 0.00 179.01 178.62 1sql h LEU 78 N 0.45 1.05 -0.13 1.64 -0.00 -0.67 -0.33 115.31 117.32 1sql h LEU 78 Ca 0.12 -0.12 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1sql h LEU 78 Cb 0.12 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.51 1sql h LEU 78 CO -0.02 0.87 0.04 0.40 -0.00 0.00 0.00 178.44 179.73 1sql h ILE 79 N 1.15 1.18 0.44 1.22 2.04 -1.10 0.11 117.51 122.55 1sql h ILE 79 Ca 0.28 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1sql h ILE 79 Cb 0.08 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1sql h ILE 79 CO -0.04 0.17 -0.24 0.00 0.00 0.00 0.00 178.15 178.04 1sql h ALA 80 N 0.85 -0.63 -0.79 1.87 0.00 -1.16 -0.45 119.26 118.95 1sql h ALA 80 Ca 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1sql h ALA 80 Cb 0.22 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1sql h ALA 80 CO -0.00 -0.86 0.47 0.66 0.00 0.00 0.00 179.25 179.52 1sql h SER 81 N -0.63 0.95 0.02 0.00 4.64 -1.04 -1.66 113.55 115.83 1sql h SER 81 Ca -0.06 -0.07 -0.11 0.00 -0.47 0.00 0.00 61.79 61.08 1sql h SER 81 Cb 0.50 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1sql h SER 81 CO 0.08 0.74 -0.35 0.11 -0.87 0.00 0.00 176.83 176.54 1sql h LYS 82 N 1.08 0.46 -0.41 4.77 1.79 -0.90 -0.91 116.57 122.46 1sql h LYS 82 Ca 0.28 -0.21 -0.07 0.00 -2.18 0.00 0.00 60.65 58.47 1sql h LYS 82 Cb -0.03 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.59 1sql h LYS 82 CO -0.05 0.76 -0.02 1.15 -1.08 0.00 0.00 179.45 180.20 1sql h THR 83 N 0.39 1.26 -0.14 -0.16 2.02 -0.66 -1.01 112.91 114.62 1sql h THR 83 Ca 0.04 -1.05 -0.12 0.00 0.77 0.00 0.00 66.41 66.05 1sql h THR 83 Cb 0.81 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1sql h THR 83 CO 0.07 0.36 -0.43 -0.07 0.37 0.00 0.00 175.52 175.81 1sql h LEU 84 N 0.56 0.34 -0.48 2.58 3.38 -1.18 -2.35 115.31 118.15 1sql h LEU 84 Ca 0.11 -0.15 -0.17 0.00 0.09 0.00 0.00 57.88 57.76 1sql h LEU 84 Cb 0.51 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1sql h LEU 84 CO 0.02 0.73 -0.71 -0.08 0.09 0.00 0.00 178.44 178.50 1sql h GLU 85 N 0.26 0.29 0.14 1.13 4.81 -1.02 -3.33 114.58 116.86 1sql h GLU 85 Ca 0.02 -0.24 -0.28 0.00 -0.13 0.00 0.00 59.36 58.73 1sql h GLU 85 Cb 0.87 0.05 0.01 0.00 0.63 0.00 0.00 28.75 30.31 1sql h GLU 85 CO 0.07 0.88 -1.31 -0.22 -0.73 0.00 0.00 179.01 177.71 1sql h LYS 86 N 0.20 0.29 -3.98 1.92 1.63 -1.08 -3.43 116.57 112.12 1sql h LYS 86 Ca -0.02 -0.50 -0.62 0.00 -0.85 0.00 0.00 60.65 58.66 1sql h LYS 86 Cb 1.26 0.18 -0.40 0.00 -0.60 0.00 0.00 32.23 32.68 1sql h LYS 86 CO 0.11 1.22 -0.73 -0.06 -3.45 0.00 0.00 179.45 176.55 1sql s PHE 87 N -2.65 2.78 -0.69 1.91 0.08 -0.90 -4.98 117.98 113.53 1sql s PHE 87 Ca -0.05 -2.50 0.13 0.00 0.12 0.00 0.00 56.93 54.62 1sql s PHE 87 Cb 0.07 -2.37 0.61 0.00 -0.57 0.00 0.00 43.02 40.76 1sql s PHE 87 CO 0.88 -0.89 1.39 0.72 -0.10 0.00 0.00 175.22 177.23 1sql n HIS 88 N 4.29 0.34 0.16 0.36 8.25 -1.26 -2.28 115.22 125.07 1sql n HIS 88 Ca 0.02 0.16 0.04 0.00 -0.26 0.00 0.00 57.72 57.69 1sql n HIS 88 Cb 0.40 -0.75 0.12 0.00 1.12 0.00 0.00 29.99 30.88 1sql n HIS 88 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1sql h GLN 89 N 0.00 0.00 -6.55 -0.41 7.50 -1.94 -3.44 115.11 110.27 1sql h GLN 89 Ca 0.00 0.00 -0.53 0.00 0.50 0.00 0.00 58.65 58.62 1sql h GLN 89 Cb 0.11 0.00 0.02 0.00 0.05 0.00 0.00 27.48 27.66 1sql h GLN 89 CO 0.00 0.43 0.63 0.42 -1.50 0.00 0.00 178.83 178.81 1sql s ILE 90 N -3.13 3.60 -0.13 2.54 1.01 -0.97 -4.69 121.20 119.44 1sql s ILE 90 Ca 0.03 1.19 0.18 0.00 0.00 0.00 0.00 60.65 62.06 1sql s ILE 90 Cb 0.08 -3.76 -0.20 0.00 0.01 0.00 0.00 42.46 38.59 1sql s ILE 90 CO 0.72 0.11 0.59 0.59 0.00 0.00 0.00 174.94 176.96 1sql n ASN 91 N 3.60 0.49 -3.49 3.58 4.13 -0.05 -4.85 115.26 118.68 1sql n ASN 91 Ca 0.09 0.21 -0.10 0.00 1.68 0.00 0.00 54.58 56.47 1sql n ASN 91 Cb 0.44 0.73 -0.02 0.00 -1.54 0.00 0.00 39.78 39.39 1sql n ASN 91 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1sql s ALA 92 N -2.96 -1.70 -0.12 5.41 0.00 -1.24 -1.83 121.76 119.32 1sql s ALA 92 Ca -0.05 0.70 -0.08 0.00 0.00 0.00 0.00 51.96 52.53 1sql s ALA 92 Cb 0.09 0.65 0.04 0.00 0.00 0.00 0.00 23.12 23.90 1sql s ALA 92 CO 0.83 -0.75 0.29 0.08 0.00 0.00 0.00 175.76 176.21 1sql s VAL 93 N -3.44 -0.02 -0.16 0.00 1.01 0.10 -0.83 120.40 117.07 1sql s VAL 93 Ca 0.04 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 1sql s VAL 93 Cb -0.01 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 1sql s VAL 93 CO -0.10 0.03 -0.10 -0.60 0.00 0.00 0.00 175.10 174.33 1sql s ARG 94 N 0.77 3.43 -0.11 2.72 3.52 -0.06 -1.37 118.95 127.84 1sql s ARG 94 Ca -0.05 -0.65 0.03 0.00 -0.13 0.00 0.00 55.73 54.93 1sql s ARG 94 Cb -0.06 -2.76 -0.00 0.00 -1.56 0.00 0.00 34.95 30.56 1sql s ARG 94 CO -0.05 0.12 -0.20 0.08 -0.81 0.00 0.00 175.30 174.44 1sql s VAL 95 N 0.62 2.39 -0.28 7.11 1.01 -0.42 -1.21 120.40 129.63 1sql s VAL 95 Ca -0.06 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.06 1sql s VAL 95 Cb -0.15 -1.95 0.07 0.00 0.00 0.00 0.00 36.38 34.35 1sql s VAL 95 CO 0.03 0.55 -0.07 -0.54 0.00 0.00 0.00 175.10 175.06 1sql s LYS 96 N 0.36 2.07 -0.18 2.72 1.02 -0.33 -1.58 119.74 123.83 1sql s LYS 96 Ca -0.16 -1.47 -0.02 0.00 0.02 0.00 0.00 55.97 54.34 1sql s LYS 96 Cb -0.17 -2.97 -0.01 0.00 -0.52 0.00 0.00 37.83 34.16 1sql s LYS 96 CO 0.08 -0.66 -0.09 -1.17 -0.92 0.00 0.00 175.35 172.59 1sql s LEU 97 N 1.06 2.75 0.16 3.17 2.96 -0.82 -0.98 118.68 126.97 1sql s LEU 97 Ca -0.04 -0.39 0.04 0.00 -0.22 0.00 0.00 54.13 53.52 1sql s LEU 97 Cb -0.20 -1.66 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 1sql s LEU 97 CO -0.06 0.06 -0.08 -0.44 -1.32 0.00 0.00 176.35 174.51 1sql s SER 98 N 1.00 1.74 -0.30 3.68 0.01 0.27 -0.68 113.70 119.42 1sql s SER 98 Ca -0.01 -1.05 -0.00 0.00 1.31 0.00 0.00 55.95 56.20 1sql s SER 98 Cb -0.15 0.00 0.06 0.00 0.21 0.00 0.00 66.02 66.15 1sql s SER 98 CO -0.01 -0.38 -0.02 -0.54 0.41 0.00 0.00 173.24 172.70 1sql s LYS 99 N -3.78 2.29 0.47 12.44 1.02 -0.19 -0.82 119.74 131.18 1sql s LYS 99 Ca 0.19 -1.36 0.27 0.00 0.02 0.00 0.00 55.97 55.09 1sql s LYS 99 Cb 0.03 -3.11 0.95 0.00 -0.52 0.00 0.00 37.83 35.18 1sql s LYS 99 CO 0.02 -0.65 1.83 -1.00 -0.92 0.00 0.00 175.35 174.63 1sql h PRO 100 N 7.91 0.00 -3.53 -1.68 0.13 -1.79 -2.89 132.00 130.15 1sql h PRO 100 Ca -0.19 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.31 1sql h PRO 100 Cb 1.05 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.78 1sql h PRO 100 CO 0.52 0.12 -0.68 -0.80 -0.23 0.00 0.00 178.00 176.93 1sql s ASN 101 N -6.02 4.21 -0.39 1.44 0.01 -1.26 -4.61 114.94 108.33 1sql s ASN 101 Ca 0.02 -2.68 -0.21 0.00 -0.71 0.00 0.00 52.86 49.27 1sql s ASN 101 Cb 0.09 -1.44 0.01 0.00 0.41 0.00 0.00 41.25 40.32 1sql s ASN 101 CO 0.61 -0.28 0.67 -0.69 -1.51 0.00 0.00 177.10 175.91 1sql s VAL 102 N 0.19 4.83 0.25 1.60 1.01 -1.26 -4.97 120.40 122.05 1sql s VAL 102 Ca 0.16 0.50 -0.30 0.00 0.00 0.00 0.00 61.98 62.33 1sql s VAL 102 Cb -0.24 -4.15 -0.14 0.00 0.00 0.00 0.00 36.38 31.85 1sql s VAL 102 CO -0.03 -0.44 1.11 0.00 0.00 0.00 0.00 175.10 175.74 1sql n ALA 103 N 6.22 -0.16 -0.94 5.51 0.00 -1.26 -2.45 120.51 127.44 1sql n ALA 103 Ca -0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1sql n ALA 103 Cb 0.48 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 1.55 0.20 -4.53 0.00 4.77 -1.26 -5.00 117.00 112.73 1sql n LEU 104 Ca 0.11 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.67 1sql n LEU 104 Cb 0.30 -0.52 -0.08 0.00 -2.33 0.00 0.00 43.42 40.79 1sql n LEU 104 CO 0.61 -0.14 0.22 -0.63 -1.33 0.00 0.00 177.39 176.12 1sql s ILE 105 N -2.80 5.00 -0.08 -0.08 1.01 -1.02 -4.95 121.20 118.28 1sql s ILE 105 Ca 0.00 0.10 0.27 0.00 0.00 0.00 0.00 60.65 61.03 1sql s ILE 105 Cb 0.00 -4.03 0.33 0.00 0.01 0.00 0.00 42.46 38.77 1sql s ILE 105 CO 0.00 -0.35 1.80 0.11 0.00 0.00 0.00 174.94 176.51 1sql h LYS 106 N 8.62 0.00 -6.36 2.79 1.79 -1.94 -3.46 116.57 118.00 1sql h LYS 106 Ca -0.27 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 57.76 1sql h LYS 106 Cb 1.12 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.77 1sql h LYS 106 CO 0.80 0.07 -0.30 -1.54 -1.08 0.00 0.00 179.45 177.40 1sql s SER 107 N -5.99 5.55 0.36 0.86 1.04 -1.26 -5.11 113.70 109.15 1sql s SER 107 Ca 0.03 -0.47 -0.12 0.00 0.48 0.00 0.00 55.95 55.88 1sql s SER 107 Cb 0.08 -0.71 -0.07 0.00 0.10 0.00 0.00 66.02 65.41 1sql s SER 107 CO 0.61 -0.69 0.73 0.42 0.98 0.00 0.00 173.24 175.29 1sql s THR 108 N -2.36 4.77 0.32 2.02 -4.23 -1.26 -5.08 115.64 109.82 1sql s THR 108 Ca 0.52 0.70 -0.13 0.00 -1.18 0.00 0.00 61.69 61.61 1sql s THR 108 Cb -0.08 -3.68 0.02 0.00 1.34 0.00 0.00 72.50 70.10 1sql s THR 108 CO 0.32 -0.36 0.62 0.27 -0.54 0.00 0.00 174.62 174.93 1sql s ILE 109 N -2.18 0.00 -0.17 2.99 -4.36 -1.26 -5.07 121.20 111.15 1sql s ILE 109 Ca 0.52 -1.26 -0.17 0.00 -0.26 0.00 0.00 60.65 59.48 1sql s ILE 109 Cb -0.10 -2.49 -0.14 0.00 1.25 0.00 0.00 42.46 40.98 1sql s ILE 109 CO 0.25 0.00 0.15 0.44 0.24 0.00 0.00 174.94 176.02 1sql h ASP 110 N 2.09 0.00 -5.07 4.36 3.45 -1.96 -3.50 116.42 115.79 1sql h ASP 110 Ca -0.27 -0.38 0.35 0.00 0.43 0.00 0.00 57.03 57.16 1sql h ASP 110 Cb 1.25 0.00 -0.17 0.00 -0.56 0.00 0.00 39.33 39.85 1sql h ASP 110 CO 0.36 1.13 0.95 -0.72 -1.57 0.00 0.00 179.24 179.39 1sql s TYR 111 N -2.24 -0.02 -0.07 4.55 -0.85 -1.26 -4.50 117.35 112.96 1sql s TYR 111 Ca -0.21 0.00 0.03 0.00 -0.52 0.00 0.00 57.07 56.37 1sql s TYR 111 Cb 0.03 0.51 0.01 0.00 0.38 0.00 0.00 41.96 42.89 1sql s TYR 111 CO 0.45 -0.07 -0.16 -0.51 -1.52 0.00 0.00 175.55 173.74 1sql s LEU 112 N -2.56 1.82 0.00 -3.49 1.43 -1.09 -4.97 118.68 109.82 1sql s LEU 112 Ca 0.13 -0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1sql s LEU 112 Cb 0.03 -1.00 0.00 0.00 0.03 0.00 0.00 46.19 45.26 1sql s LEU 112 CO -0.05 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.24 1sql n GLY 113 N 3.58 2.12 3.46 -3.19 0.00 -1.26 -1.02 105.19 108.87 1sql n GLY 113 Ca -0.21 -1.06 -0.23 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.93 2.40 -0.25 1.61 -7.23 0.15 -4.97 120.40 109.18 1sql s VAL 114 Ca 0.00 -2.39 -0.02 0.00 -1.81 0.00 0.00 61.98 57.76 1sql s VAL 114 Cb -0.00 -2.28 0.12 0.00 0.56 0.00 0.00 36.38 34.78 1sql s VAL 114 CO 0.00 -0.42 0.27 -0.62 -0.31 0.00 0.00 175.10 174.02 1sql s ASP 115 N -3.49 1.48 0.12 4.85 3.68 -1.26 -1.94 116.67 120.11 1sql s ASP 115 Ca 0.29 -0.47 0.10 0.00 2.13 0.00 0.00 52.55 54.60 1sql s ASP 115 Cb -0.05 0.50 -0.04 0.00 -1.45 0.00 0.00 42.92 41.88 1sql s ASP 115 CO 0.14 -0.36 -0.24 0.27 0.13 0.00 0.00 175.17 175.11 1sql s ILE 116 N 2.36 2.43 -0.12 4.11 -4.36 -0.61 -5.00 121.20 120.01 1sql s ILE 116 Ca 0.09 -1.68 0.03 0.00 -0.26 0.00 0.00 60.65 58.83 1sql s ILE 116 Cb -0.15 -2.09 0.00 0.00 1.25 0.00 0.00 42.46 41.48 1sql s ILE 116 CO -0.24 0.10 -0.22 0.12 0.24 0.00 0.00 174.94 174.95 1sql s PHE 117 N -1.08 2.64 -0.06 1.37 5.36 -1.26 -1.29 117.98 123.65 1sql s PHE 117 Ca 0.15 -1.10 0.01 0.00 -0.96 0.00 0.00 56.93 55.04 1sql s PHE 117 Cb -0.10 -1.77 0.02 0.00 -0.34 0.00 0.00 43.02 40.83 1sql s PHE 117 CO 0.07 -0.46 -0.08 1.03 -1.46 0.00 0.00 175.22 174.32 1sql s ARG 118 N 0.52 1.25 0.16 10.12 1.81 -0.47 -5.02 118.95 127.32 1sql s ARG 118 Ca -0.13 -0.24 0.07 0.00 -1.72 0.00 0.00 55.73 53.70 1sql s ARG 118 Cb -0.17 -1.14 -0.04 0.00 -0.45 0.00 0.00 34.95 33.15 1sql s ARG 118 CO 0.05 -0.06 0.01 -1.14 -0.68 0.00 0.00 175.30 173.48 1sql s GLN 119 N 0.90 2.47 -0.02 3.54 0.74 -1.26 -0.72 119.66 125.31 1sql s GLN 119 Ca -0.11 -1.05 -0.30 0.00 0.05 0.00 0.00 55.36 53.96 1sql s GLN 119 Cb -0.15 -2.41 -0.08 0.00 1.10 0.00 0.00 33.01 31.48 1sql s GLN 119 CO 0.01 0.47 2.02 0.50 -0.55 0.00 0.00 175.29 177.73 1sql s ARG 120 N -2.88 3.92 -0.12 1.67 6.06 -0.76 -4.82 118.95 122.02 1sql s ARG 120 Ca 0.27 2.48 0.17 0.00 -2.50 0.00 0.00 55.73 56.15 1sql s ARG 120 Cb -0.10 -4.21 0.30 0.00 0.06 0.00 0.00 34.95 31.01 1sql s ARG 120 CO 0.19 -1.20 1.18 0.09 -2.50 0.00 0.00 175.30 173.06 1sql n ASN 121 N 8.43 2.56 0.00 -2.12 5.03 -1.26 -5.06 115.26 122.84 1sql n ASN 121 Ca 0.22 -2.96 0.00 0.00 0.87 0.00 0.00 54.58 52.71 1sql n ASN 121 Cb 0.42 -0.41 0.00 0.00 -1.02 0.00 0.00 39.78 38.77 1sql n ASN 121 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84