#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 1.43 -0.19 1.61 1.01 -1.26 -4.90 116.67 114.37 1sql s ASP 2 Ca 0.00 1.67 -0.29 0.00 0.71 0.00 0.00 52.55 54.64 1sql s ASP 2 Cb 0.00 -2.36 0.12 0.00 1.01 0.00 0.00 42.92 41.69 1sql s ASP 2 CO 0.00 -3.95 0.96 -1.59 0.21 0.00 0.00 175.17 170.81 1sql s LYS 3 N -4.51 0.63 -0.04 8.23 -2.85 -1.25 -2.67 119.74 117.27 1sql s LYS 3 Ca 0.68 0.32 -0.20 0.00 -1.00 0.00 0.00 55.97 55.77 1sql s LYS 3 Cb -0.24 0.30 -0.05 0.00 -2.06 0.00 0.00 37.83 35.78 1sql s LYS 3 CO 0.63 -0.16 0.56 -0.51 0.10 0.00 0.00 175.35 175.97 1sql s LEU 4 N -0.68 4.38 -0.17 2.77 1.43 0.13 -4.89 118.68 121.65 1sql s LEU 4 Ca -0.01 1.06 -0.01 0.00 -1.03 0.00 0.00 54.13 54.14 1sql s LEU 4 Cb -0.02 -2.85 -0.01 0.00 0.03 0.00 0.00 46.19 43.34 1sql s LEU 4 CO 0.00 0.08 -0.11 -0.63 0.23 0.00 0.00 176.35 175.92 1sql s ILE 5 N 0.01 3.04 -0.31 -0.59 -1.09 -1.26 -0.75 121.20 120.25 1sql s ILE 5 Ca 0.30 -0.63 0.03 0.00 -2.23 0.00 0.00 60.65 58.11 1sql s ILE 5 Cb -0.17 -2.32 0.09 0.00 -1.58 0.00 0.00 42.46 38.47 1sql s ILE 5 CO 0.15 0.49 0.01 -0.76 -1.23 0.00 0.00 174.94 173.60 1sql s LEU 6 N 0.90 4.10 -0.12 2.97 1.02 -0.01 -5.01 118.68 122.53 1sql s LEU 6 Ca -0.03 -1.87 -0.04 0.00 0.02 0.00 0.00 54.13 52.22 1sql s LEU 6 Cb -0.15 -1.52 -0.03 0.00 0.02 0.00 0.00 46.19 44.51 1sql s LEU 6 CO -0.00 -0.33 0.02 -0.75 0.02 0.00 0.00 176.35 175.31 1sql s LYS 7 N 1.04 3.32 -1.32 1.70 2.47 -1.26 -0.50 119.74 125.19 1sql s LYS 7 Ca 0.05 -0.39 -0.06 0.00 -1.56 0.00 0.00 55.97 54.01 1sql s LYS 7 Cb -0.19 -2.92 0.01 0.00 -1.46 0.00 0.00 37.83 33.27 1sql s LYS 7 CO -0.09 0.55 1.05 0.41 0.16 0.00 0.00 175.35 177.44 1sql n GLY 8 N 2.62 -0.45 3.70 5.54 0.00 -1.18 -4.96 105.19 110.46 1sql n GLY 8 Ca -0.18 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -6.92 4.32 -0.17 0.99 1.43 0.03 -4.78 118.68 113.57 1sql s LEU 9 Ca 0.34 2.03 -0.02 0.00 -1.03 0.00 0.00 54.13 55.45 1sql s LEU 9 Cb -0.15 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.49 1sql s LEU 9 CO 0.75 -0.61 -0.08 -0.54 0.23 0.00 0.00 176.35 176.10 1sql s LYS 10 N 1.87 3.42 0.00 1.70 1.02 -1.26 0.16 119.74 126.66 1sql s LYS 10 Ca 0.60 -0.64 0.01 0.00 0.02 0.00 0.00 55.97 55.97 1sql s LYS 10 Cb -0.30 -2.83 -0.00 0.00 -0.52 0.00 0.00 37.83 34.18 1sql s LYS 10 CO 0.26 0.04 -0.03 -0.06 -0.92 0.00 0.00 175.35 174.64 1sql s PHE 11 N 0.83 0.28 0.22 3.18 0.08 -0.51 -4.97 117.98 117.08 1sql s PHE 11 Ca -0.03 -0.09 -0.27 0.00 0.12 0.00 0.00 56.93 56.67 1sql s PHE 11 Cb -0.15 -0.18 -0.09 0.00 -0.57 0.00 0.00 43.02 42.04 1sql s PHE 11 CO 0.01 -0.01 0.86 -0.47 -0.10 0.00 0.00 175.22 175.51 1sql s TYR 12 N -0.17 3.90 0.34 0.36 6.14 -1.26 -0.71 117.35 125.94 1sql s TYR 12 Ca 0.00 1.75 -0.10 0.00 0.64 0.00 0.00 57.07 59.37 1sql s TYR 12 Cb -0.02 -2.86 0.02 0.00 0.42 0.00 0.00 41.96 39.52 1sql s TYR 12 CO -0.00 0.45 0.60 0.20 0.64 0.00 0.00 175.55 177.44 1sql s GLY 13 N -1.25 0.86 -0.12 8.97 0.00 0.12 -4.41 107.32 111.50 1sql s GLY 13 Ca 0.40 -1.08 0.18 0.00 0.00 0.00 0.00 44.72 44.22 1sql s GLY 13 CO 0.28 -0.65 1.14 0.69 0.00 0.00 0.00 173.10 174.56 1sql n PHE 14 N -0.52 0.00 -2.49 1.90 3.01 -1.26 0.17 117.46 118.27 1sql n PHE 14 Ca -0.03 -0.93 -0.34 0.00 1.01 0.00 0.00 57.45 57.16 1sql n PHE 14 Cb 0.61 -0.14 -0.03 0.00 -0.01 0.00 0.00 39.48 39.91 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 -2.67 2.93 0.00 1.38 3.76 -1.26 -3.91 115.29 115.53 1sql s HIS 15 Ca 0.30 1.57 0.00 0.00 -0.15 0.00 0.00 55.06 56.78 1sql s HIS 15 Cb 0.26 -3.12 0.00 0.00 1.11 0.00 0.00 32.58 30.83 1sql s HIS 15 CO 0.03 -0.98 0.00 0.41 -0.85 0.00 0.00 174.74 173.34 1sql n GLY 16 N -0.15 3.69 0.15 -2.22 0.00 0.46 -4.70 105.19 102.43 1sql n GLY 16 Ca 0.10 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 45.14 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 0.05 -2.87 4.61 0.00 -1.78 -3.38 119.26 115.90 1sql h ALA 17 Ca 0.00 -0.62 -0.52 0.00 0.00 0.00 0.00 54.91 53.77 1sql h ALA 17 Cb 0.00 0.05 0.06 0.00 0.00 0.00 0.00 17.79 17.91 1sql h ALA 17 CO 0.00 0.43 0.64 0.42 0.00 0.00 0.00 179.25 180.74 1sql s ILE 18 N -3.11 2.72 0.11 0.00 -1.09 -1.26 -4.94 121.20 113.64 1sql s ILE 18 Ca -0.12 0.72 -0.24 0.00 -2.23 0.00 0.00 60.65 58.78 1sql s ILE 18 Cb 0.04 -3.46 -0.08 0.00 -1.58 0.00 0.00 42.46 37.38 1sql s ILE 18 CO 0.85 0.17 1.68 0.00 -1.23 0.00 0.00 174.94 176.41 1sql h ALA 19 N 3.44 -0.16 -0.83 9.38 0.00 -2.01 -2.51 119.26 126.58 1sql h ALA 19 Ca -0.49 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.50 1sql h ALA 19 Cb 1.23 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 1sql h ALA 19 CO 0.66 -0.63 0.54 0.93 0.00 0.00 0.00 179.25 180.75 1sql h GLU 20 N -0.23 0.83 -0.63 0.00 3.07 -1.98 -1.68 114.58 113.97 1sql h GLU 20 Ca 0.05 -0.05 0.08 0.00 -0.50 0.00 0.00 59.36 58.93 1sql h GLU 20 Cb 0.28 -0.19 -0.06 0.00 -0.84 0.00 0.00 28.75 27.94 1sql h GLU 20 CO -0.13 0.55 0.29 0.93 -1.40 0.00 0.00 179.01 179.26 1sql h GLU 21 N 0.86 0.51 0.00 2.33 5.08 -1.83 0.50 114.58 122.03 1sql h GLU 21 Ca 0.37 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1sql h GLU 21 Cb 0.30 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1sql h GLU 21 CO -0.14 0.34 0.00 0.54 -1.00 0.00 0.00 179.01 178.75 1sql n ARG 22 N -4.90 0.18 -0.07 2.33 1.74 -0.65 -0.94 116.66 114.35 1sql n ARG 22 Ca 0.09 0.47 -0.04 0.00 -0.77 0.00 0.00 57.85 57.59 1sql n ARG 22 Cb 0.23 -1.89 -0.02 0.00 -1.02 0.00 0.00 32.46 29.77 1sql n ARG 22 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1sql h THR 23 N 0.00 0.01 -0.46 0.55 2.02 -0.79 -3.41 112.91 110.83 1sql h THR 23 Ca 0.00 -1.01 -0.13 0.00 0.77 0.00 0.00 66.41 66.03 1sql h THR 23 Cb 0.29 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 1sql h THR 23 CO 0.00 0.00 -0.23 -0.07 0.37 0.00 0.00 175.52 175.59 1sql h LEU 24 N -1.00 0.97 0.00 2.58 3.38 -1.18 -3.50 115.31 116.56 1sql h LEU 24 Ca -0.00 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1sql h LEU 24 Cb 0.48 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1sql h LEU 24 CO -0.00 1.15 0.00 0.61 0.09 0.00 0.00 178.44 180.29 1sql n GLY 25 N -0.12 -2.53 3.71 0.83 0.00 -0.12 -5.00 105.19 101.97 1sql n GLY 25 Ca -0.00 -1.65 0.03 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.67 0.18 0.17 1.61 -2.07 0.13 -4.95 119.66 114.06 1sql s GLN 26 Ca 0.00 -0.11 -0.23 0.00 -1.82 0.00 0.00 55.36 53.20 1sql s GLN 26 Cb 0.00 0.06 -0.08 0.00 -1.09 0.00 0.00 33.01 31.90 1sql s GLN 26 CO 0.00 -0.08 0.73 -1.64 -1.32 0.00 0.00 175.29 172.98 1sql s MET 27 N -2.13 4.43 -0.03 9.60 -1.94 -1.26 0.13 119.30 128.11 1sql s MET 27 Ca 0.20 1.02 0.05 0.00 -1.71 0.00 0.00 55.69 55.25 1sql s MET 27 Cb 0.05 -3.15 -0.01 0.00 2.01 0.00 0.00 34.83 33.73 1sql s MET 27 CO -0.04 0.53 -0.18 -0.06 -0.01 0.00 0.00 175.02 175.26 1sql s PHE 28 N -1.25 1.68 -0.19 -0.03 0.40 0.11 -4.36 117.98 114.34 1sql s PHE 28 Ca 0.37 -0.39 -0.08 0.00 -0.60 0.00 0.00 56.93 56.23 1sql s PHE 28 Cb -0.21 -1.10 -0.04 0.00 0.51 0.00 0.00 43.02 42.17 1sql s PHE 28 CO 0.24 -0.09 0.08 -0.51 0.70 0.00 0.00 175.22 175.64 1sql s LEU 29 N -0.24 3.88 -0.05 -0.37 1.02 -0.44 -1.43 118.68 121.05 1sql s LEU 29 Ca 0.03 0.09 0.04 0.00 0.02 0.00 0.00 54.13 54.31 1sql s LEU 29 Cb -0.09 -2.00 -0.00 0.00 0.02 0.00 0.00 46.19 44.12 1sql s LEU 29 CO 0.00 0.15 -0.18 -0.69 0.02 0.00 0.00 176.35 175.65 1sql s VAL 30 N 0.51 1.54 -0.10 -1.59 1.01 0.12 -0.83 120.40 121.06 1sql s VAL 30 Ca 0.04 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1sql s VAL 30 Cb -0.12 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1sql s VAL 30 CO 0.00 0.44 -0.19 -1.81 0.00 0.00 0.00 175.10 173.55 1sql s ASP 31 N 0.13 3.52 -0.08 3.32 1.01 0.86 -0.79 116.67 124.63 1sql s ASP 31 Ca -0.07 -0.43 0.00 0.00 0.71 0.00 0.00 52.55 52.76 1sql s ASP 31 Cb -0.13 -1.34 0.02 0.00 1.01 0.00 0.00 42.92 42.48 1sql s ASP 31 CO 0.03 0.19 -0.07 -0.63 0.21 0.00 0.00 175.17 174.91 1sql s ILE 32 N 0.16 0.85 -0.24 0.77 -1.09 0.35 -0.80 121.20 121.20 1sql s ILE 32 Ca -0.11 -0.23 -0.01 0.00 -2.23 0.00 0.00 60.65 58.07 1sql s ILE 32 Cb -0.16 -0.87 0.03 0.00 -1.58 0.00 0.00 42.46 39.88 1sql s ILE 32 CO 0.06 0.32 -0.08 -1.81 -1.23 0.00 0.00 174.94 172.20 1sql s ASP 33 N 1.40 4.17 -0.31 3.58 -0.00 -0.14 -0.83 116.67 124.55 1sql s ASP 33 Ca -0.02 -0.86 -0.09 0.00 -0.00 0.00 0.00 52.55 51.58 1sql s ASP 33 Cb -0.13 -1.64 -0.01 0.00 -0.00 0.00 0.00 42.92 41.14 1sql s ASP 33 CO -0.04 -0.11 0.14 0.00 -0.00 0.00 0.00 175.17 175.16 1sql s ALA 34 N 1.31 3.25 -0.16 5.23 0.00 0.08 -0.81 121.76 130.66 1sql s ALA 34 Ca 0.00 -1.37 -0.28 0.00 0.00 0.00 0.00 51.96 50.31 1sql s ALA 34 Cb -0.16 -2.34 -0.01 0.00 0.00 0.00 0.00 23.12 20.61 1sql s ALA 34 CO -0.06 -0.87 0.95 -1.58 0.00 0.00 0.00 175.76 174.20 1sql s TRP 35 N 1.61 3.44 -0.29 0.00 0.51 0.96 -0.69 118.94 124.48 1sql s TRP 35 Ca 0.05 1.44 -0.23 0.00 -2.12 0.00 0.00 56.10 55.23 1sql s TRP 35 Cb -0.17 -3.15 0.13 0.00 -0.81 0.00 0.00 33.47 29.48 1sql s TRP 35 CO 0.06 -0.29 1.06 0.54 -0.51 0.00 0.00 176.95 177.81 1sql s VAL 36 N 2.36 0.00 -0.02 4.03 0.11 -1.09 0.37 120.40 126.16 1sql s VAL 36 Ca 0.44 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.19 1sql s VAL 36 Cb -0.17 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.62 1sql s VAL 36 CO 0.13 0.00 1.67 -0.55 -3.33 0.00 0.00 175.10 173.02 1sql s SER 37 N 0.43 6.64 0.00 3.54 0.15 -1.26 -3.94 113.70 119.26 1sql s SER 37 Ca 0.01 2.33 0.24 0.00 0.70 0.00 0.00 55.95 59.23 1sql s SER 37 Cb -0.05 -2.54 0.21 0.00 -1.71 0.00 0.00 66.02 61.93 1sql s SER 37 CO -0.09 -0.92 1.26 0.18 1.20 0.00 0.00 173.24 174.88 1sql n LEU 38 N 6.74 2.79 0.02 3.45 4.77 -1.26 -4.57 117.00 128.94 1sql n LEU 38 Ca 0.17 -0.94 -0.12 0.00 -0.03 0.00 0.00 56.01 55.09 1sql n LEU 38 Cb 0.42 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 1sql n LEU 38 CO 0.63 0.47 0.60 0.50 -1.33 0.00 0.00 177.39 178.25 1sql h LYS 39 N 4.27 -0.48 -0.33 3.23 1.63 -1.95 0.10 116.57 123.04 1sql h LYS 39 Ca 0.00 0.03 0.06 0.00 -0.85 0.00 0.00 60.65 59.89 1sql h LYS 39 Cb 0.94 0.11 -0.08 0.00 -0.60 0.00 0.00 32.23 32.60 1sql h LYS 39 CO 0.00 -0.32 -0.47 -0.22 -3.45 0.00 0.00 179.45 174.99 1sql h LYS 40 N -0.50 -0.38 -0.42 1.90 3.64 -1.90 -0.97 116.57 117.94 1sql h LYS 40 Ca 0.07 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1sql h LYS 40 Cb 0.62 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 1sql h LYS 40 CO -0.37 -0.26 0.06 0.00 -2.27 0.00 0.00 179.45 176.62 1sql h ALA 41 N 0.20 1.33 0.00 5.00 0.00 -1.67 -1.93 119.26 122.19 1sql h ALA 41 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1sql h ALA 41 Cb 0.61 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1sql h ALA 41 CO -0.54 0.47 0.00 0.78 0.00 0.00 0.00 179.25 179.96 1sql h GLY 42 N 0.87 0.00 0.00 0.00 0.00 0.48 0.19 103.07 104.61 1sql h GLY 42 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1sql h GLY 42 CO 0.00 0.00 -1.02 1.18 0.00 0.00 0.00 176.54 176.71 1sql n GLU 43 N -2.39 1.71 -0.00 4.80 1.02 -0.65 -4.58 120.64 120.54 1sql n GLU 43 Ca 0.01 -0.05 0.04 0.00 -0.02 0.00 0.00 57.16 57.14 1sql n GLU 43 Cb 0.19 -1.22 -0.06 0.00 -0.02 0.00 0.00 31.44 30.33 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 -1.57 1.45 -3.56 1.62 3.41 -0.86 -5.01 113.62 109.10 1sql n SER 44 Ca 0.01 -0.42 -0.26 0.00 -0.26 0.00 0.00 58.87 57.94 1sql n SER 44 Cb 0.27 1.17 -0.00 0.00 -0.26 0.00 0.00 64.21 65.39 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 -1.46 -3.84 -4.33 4.04 2.03 0.02 -4.95 116.55 108.06 1sql n ASP 45 Ca 0.00 -0.53 -0.34 0.00 0.52 0.00 0.00 54.79 54.44 1sql n ASP 45 Cb 0.18 -3.16 -0.14 0.00 -0.72 0.00 0.00 41.12 37.28 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 -2.88 4.06 0.49 1.67 3.04 -1.26 -5.00 114.94 115.06 1sql s ASN 46 Ca 0.49 -0.37 0.17 0.00 0.04 0.00 0.00 52.86 53.18 1sql s ASN 46 Cb -0.26 -1.65 1.21 0.00 -1.54 0.00 0.00 41.25 39.01 1sql s ASN 46 CO 0.60 0.09 2.07 0.25 -3.04 0.00 0.00 177.10 177.06 1sql h LEU 47 N 7.30 0.13 -0.81 3.21 6.46 -1.93 -2.46 115.31 127.21 1sql h LEU 47 Ca -0.33 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.43 1sql h LEU 47 Cb 1.19 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 1sql h LEU 47 CO 0.58 0.08 0.00 -0.62 -0.62 0.00 0.00 178.44 177.87 1sql n GLU 48 N -4.48 0.15 -0.16 1.25 1.02 -1.26 -2.03 120.64 115.13 1sql n GLU 48 Ca 0.03 0.47 0.09 0.00 -0.02 0.00 0.00 57.16 57.74 1sql n GLU 48 Cb 0.27 -1.84 0.27 0.00 -0.02 0.00 0.00 31.44 30.12 1sql n GLU 48 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1sql n ASP 49 N -2.13 2.23 -0.99 1.62 8.00 -0.92 -4.91 116.55 119.43 1sql n ASP 49 Ca 0.01 -1.89 0.00 0.00 0.71 0.00 0.00 54.79 53.62 1sql n ASP 49 Cb 0.15 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 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 0.70 0.00 -4.55 -3.53 5.66 -0.86 -4.16 114.28 107.54 1sql n THR 50 Ca 0.16 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.82 1sql n THR 50 Cb 0.38 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.03 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 -2.06 3.36 0.08 1.09 -1.09 -1.26 -5.02 121.20 116.30 1sql s ILE 51 Ca 0.00 -0.54 -0.31 0.00 -2.23 0.00 0.00 60.65 57.57 1sql s ILE 51 Cb 0.00 -2.45 -0.07 0.00 -1.58 0.00 0.00 42.46 38.36 1sql s ILE 51 CO 0.00 0.50 1.39 -0.55 -1.23 0.00 0.00 174.94 175.06 1sql s SER 52 N 0.49 6.84 0.20 3.58 0.15 -1.26 -4.86 113.70 118.84 1sql s SER 52 Ca -0.07 2.26 0.20 0.00 0.70 0.00 0.00 55.95 59.05 1sql s SER 52 Cb -0.15 -2.58 0.88 0.00 -1.71 0.00 0.00 66.02 62.46 1sql s SER 52 CO 0.04 -0.67 1.61 0.00 1.20 0.00 0.00 173.24 175.42 1sql n TYR 53 N 4.37 0.59 -0.07 3.44 4.11 -1.26 -1.82 117.16 126.53 1sql n TYR 53 Ca 0.12 0.25 -0.13 0.00 -0.00 0.00 0.00 57.90 58.14 1sql n TYR 53 Cb 0.43 -0.90 -0.06 0.00 -0.00 0.00 0.00 39.34 38.81 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 1.33 -0.81 -3.48 2.07 -1.98 0.11 116.25 113.49 1sql h VAL 54 Ca 0.00 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.16 1sql h VAL 54 Cb 0.25 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 1sql h VAL 54 CO 0.00 0.41 0.40 0.44 0.02 0.00 0.00 177.57 178.84 1sql h ASP 55 N 0.14 1.04 -0.19 0.57 3.45 -1.75 0.11 116.42 119.80 1sql h ASP 55 Ca 0.03 -0.13 -0.07 0.00 0.43 0.00 0.00 57.03 57.30 1sql h ASP 55 Cb 0.72 -0.27 -0.00 0.00 -0.56 0.00 0.00 39.33 39.22 1sql h ASP 55 CO 0.05 0.88 -0.14 0.40 -1.57 0.00 0.00 179.24 178.85 1sql h ILE 56 N 1.14 1.32 -0.02 0.35 2.04 -1.47 -1.75 117.51 119.12 1sql h ILE 56 Ca 0.28 -1.25 0.02 0.00 1.00 0.00 0.00 64.86 64.91 1sql h ILE 56 Cb 0.10 1.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 1sql h ILE 56 CO -0.04 0.38 -0.12 0.15 0.00 0.00 0.00 178.15 178.52 1sql h PHE 57 N 0.09 -0.30 -0.32 1.37 3.57 -0.43 0.20 116.94 121.12 1sql h PHE 57 Ca 0.04 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1sql h PHE 57 Cb 0.65 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 1sql h PHE 57 CO 0.07 -0.18 0.20 0.66 -2.23 0.00 0.00 178.31 176.83 1sql h SER 58 N -0.19 0.38 -0.02 0.41 4.64 -0.78 -0.02 113.55 117.96 1sql h SER 58 Ca 0.05 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1sql h SER 58 Cb 0.26 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1sql h SER 58 CO -0.14 0.29 -0.00 0.25 -0.87 0.00 0.00 176.83 176.36 1sql h LEU 59 N 0.44 0.05 -0.44 5.97 6.46 -0.48 -2.08 115.31 125.23 1sql h LEU 59 Ca 0.12 -0.35 0.02 0.00 -0.12 0.00 0.00 57.88 57.55 1sql h LEU 59 Cb -0.02 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 39.87 1sql h LEU 59 CO -0.02 0.39 0.26 0.00 -0.62 0.00 0.00 178.44 178.44 1sql h ALA 60 N 0.66 0.56 -0.24 1.25 0.00 -0.44 -2.81 119.26 118.24 1sql h ALA 60 Ca 0.01 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1sql h ALA 60 Cb 0.37 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1sql h ALA 60 CO 0.00 -0.07 0.00 -0.22 0.00 0.00 0.00 179.25 178.97 1sql h LYS 61 N 0.52 0.07 -0.56 0.00 3.64 -0.98 -1.64 116.57 117.61 1sql h LYS 61 Ca 0.18 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.64 1sql h LYS 61 Cb 0.03 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.76 1sql h LYS 61 CO -0.09 0.05 0.21 1.49 -2.27 0.00 0.00 179.45 178.84 1sql h GLU 62 N 0.07 0.38 0.16 1.90 4.81 -1.18 -0.75 114.58 119.97 1sql h GLU 62 Ca 0.11 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1sql h GLU 62 Cb 0.14 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1sql h GLU 62 CO -0.19 0.25 -0.08 0.82 -0.73 0.00 0.00 179.01 179.08 1sql h ILE 63 N 0.39 0.97 -0.77 2.32 1.08 -1.24 -1.86 117.51 118.39 1sql h ILE 63 Ca 0.28 -0.73 0.04 0.00 -0.39 0.00 0.00 64.86 64.06 1sql h ILE 63 Cb 0.32 1.40 -0.04 0.00 -3.07 0.00 0.00 36.82 35.43 1sql h ILE 63 CO -0.28 0.16 0.51 0.58 -0.69 0.00 0.00 178.15 178.43 1sql h VAL 64 N -0.58 1.11 -0.05 1.67 2.07 -1.19 0.49 116.25 119.76 1sql h VAL 64 Ca -0.02 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1sql h VAL 64 Cb 0.44 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1sql h VAL 64 CO 0.04 0.17 0.00 -0.62 0.02 0.00 0.00 177.57 177.18 1sql n GLU 65 N -4.46 1.46 -0.25 1.57 1.02 -0.30 -4.51 120.64 115.18 1sql n GLU 65 Ca 0.10 -0.68 0.00 0.00 -0.02 0.00 0.00 57.16 56.56 1sql n GLU 65 Cb 0.13 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 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 1.08 -0.19 3.51 0.62 0.00 0.16 -4.92 105.19 105.45 1sql n GLY 66 Ca 0.18 -1.80 -0.55 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.53 0.28 -4.71 1.61 2.88 -1.26 -4.72 113.62 105.16 1sql n SER 67 Ca 0.00 1.15 -0.42 0.00 -1.33 0.00 0.00 58.87 58.27 1sql n SER 67 Cb 0.00 -1.01 -0.03 0.00 -0.75 0.00 0.00 64.21 62.42 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 -0.12 4.25 0.27 -1.46 0.04 -1.26 -4.97 135.00 131.75 1sql s PRO 68 Ca 0.84 2.25 0.08 0.00 0.04 0.00 0.00 61.00 64.20 1sql s PRO 68 Cb -1.11 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 30.13 1sql s PRO 68 CO 0.54 -0.57 0.13 1.03 0.04 0.00 0.00 177.00 178.17 1sql s ARG 69 N 1.38 2.63 0.06 4.56 1.81 -1.26 -4.96 118.95 123.18 1sql s ARG 69 Ca 0.69 -1.25 -0.14 0.00 -1.72 0.00 0.00 55.73 53.31 1sql s ARG 69 Cb -0.40 -2.38 -0.28 0.00 -0.45 0.00 0.00 34.95 31.44 1sql s ARG 69 CO 0.31 0.34 1.12 -0.91 -0.68 0.00 0.00 175.30 175.48 1sql h ASN 70 N 1.62 0.87 -3.19 0.23 2.35 -1.95 0.13 115.58 115.64 1sql h ASN 70 Ca -0.46 -0.79 -0.64 0.00 -0.55 0.00 0.00 56.30 53.86 1sql h ASN 70 Cb 1.24 -0.27 -0.14 0.00 0.05 0.00 0.00 38.32 39.20 1sql h ASN 70 CO 0.61 1.59 -0.72 -0.76 -1.65 0.00 0.00 177.43 176.49 1sql s LEU 71 N -7.87 3.02 0.19 1.61 1.43 -1.26 -2.55 118.68 113.26 1sql s LEU 71 Ca -0.09 -0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 52.49 1sql s LEU 71 Cb 0.06 -1.75 0.11 0.00 0.03 0.00 0.00 46.19 44.65 1sql s LEU 71 CO 0.93 0.13 1.50 -0.07 0.23 0.00 0.00 176.35 179.07 1sql h LEU 72 N 3.13 0.58 -0.57 1.79 3.38 -1.96 -3.01 115.31 118.65 1sql h LEU 72 Ca -0.48 -0.32 0.10 0.00 0.09 0.00 0.00 57.88 57.28 1sql h LEU 72 Cb 1.19 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.69 1sql h LEU 72 CO 0.54 1.03 0.13 -0.33 0.09 0.00 0.00 178.44 179.89 1sql h GLU 73 N 0.39 0.26 -0.35 1.13 3.07 -1.95 0.15 114.58 117.28 1sql h GLU 73 Ca 0.00 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1sql h GLU 73 Cb 1.12 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.96 1sql h GLU 73 CO 0.11 0.17 0.22 1.15 -1.40 0.00 0.00 179.01 179.26 1sql h THR 74 N 0.26 1.07 -0.44 1.13 2.02 -1.96 0.25 112.91 115.25 1sql h THR 74 Ca 0.30 -0.16 -0.07 0.00 0.77 0.00 0.00 66.41 67.25 1sql h THR 74 Cb 0.43 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1sql h THR 74 CO -0.38 0.08 0.02 0.58 0.37 0.00 0.00 175.52 176.19 1sql h VAL 75 N 0.46 1.26 -0.41 3.16 2.07 -1.30 -1.33 116.25 120.15 1sql h VAL 75 Ca 0.13 -1.01 -0.06 0.00 0.82 0.00 0.00 66.70 66.58 1sql h VAL 75 Cb -0.04 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1sql h VAL 75 CO -0.04 0.35 0.01 0.00 0.02 0.00 0.00 177.57 177.91 1sql h ALA 76 N 0.91 0.55 -0.84 1.67 0.00 -0.45 -1.61 119.26 119.50 1sql h ALA 76 Ca 0.13 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1sql h ALA 76 Cb 0.47 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1sql h ALA 76 CO 0.02 0.32 0.51 1.49 0.00 0.00 0.00 179.25 181.59 1sql h GLU 77 N 0.55 0.88 -0.45 0.00 4.57 -0.40 -0.67 114.58 119.05 1sql h GLU 77 Ca 0.12 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.19 1sql h GLU 77 Cb 0.46 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 1sql h GLU 77 CO 0.02 0.58 0.07 -0.07 -1.18 0.00 0.00 179.01 178.43 1sql h LEU 78 N 0.91 0.73 -0.55 1.64 3.38 -0.87 0.02 115.31 120.57 1sql h LEU 78 Ca 0.38 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1sql h LEU 78 Cb 0.22 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1sql h LEU 78 CO -0.19 0.81 0.36 0.40 0.09 0.00 0.00 178.44 179.90 1sql h ILE 79 N 0.62 1.14 0.62 1.22 2.04 -0.70 0.10 117.51 122.55 1sql h ILE 79 Ca 0.14 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1sql h ILE 79 Cb 0.39 0.34 0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1sql h ILE 79 CO 0.01 0.13 -0.30 0.00 0.00 0.00 0.00 178.15 177.99 1sql h ALA 80 N 1.20 -0.84 -0.42 1.87 0.00 -0.91 -1.00 119.26 119.17 1sql h ALA 80 Ca 0.20 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1sql h ALA 80 Cb -0.08 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1sql h ALA 80 CO -0.05 -0.86 0.15 0.66 0.00 0.00 0.00 179.25 179.15 1sql h SER 81 N -1.06 0.16 -0.70 0.00 4.64 -0.93 -1.36 113.55 114.30 1sql h SER 81 Ca -0.09 0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 1sql h SER 81 Cb 0.69 0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.78 1sql h SER 81 CO 0.14 0.13 0.35 0.11 -0.87 0.00 0.00 176.83 176.68 1sql h LYS 82 N 0.31 1.00 -0.55 4.77 6.56 -0.84 -1.17 116.57 126.66 1sql h LYS 82 Ca 0.19 -0.14 -0.02 0.00 -1.06 0.00 0.00 60.65 59.62 1sql h LYS 82 Cb 0.18 -0.18 -0.03 0.00 -0.57 0.00 0.00 32.23 31.63 1sql h LYS 82 CO -0.20 0.78 0.27 1.15 -2.06 0.00 0.00 179.45 179.39 1sql h THR 83 N 0.97 1.20 -0.21 -0.16 2.02 -0.55 -1.53 112.91 114.65 1sql h THR 83 Ca 0.24 -0.56 -0.14 0.00 0.77 0.00 0.00 66.41 66.73 1sql h THR 83 Cb 0.10 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1sql h THR 83 CO -0.03 0.23 -0.44 -0.07 0.37 0.00 0.00 175.52 175.57 1sql h LEU 84 N 0.74 0.55 -0.62 2.58 3.38 -1.09 -2.19 115.31 118.65 1sql h LEU 84 Ca 0.19 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1sql h LEU 84 Cb 0.11 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1sql h LEU 84 CO -0.02 0.92 0.14 -0.08 0.09 0.00 0.00 178.44 179.48 1sql h GLU 85 N 0.42 1.00 0.09 1.13 4.81 -0.91 -3.28 114.58 117.83 1sql h GLU 85 Ca 0.03 -0.25 -0.27 0.00 -0.13 0.00 0.00 59.36 58.74 1sql h GLU 85 Cb 0.94 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 1sql h GLU 85 CO 0.08 0.92 -1.32 -0.22 -0.73 0.00 0.00 179.01 177.74 1sql h LYS 86 N 0.91 0.18 -3.43 1.92 3.64 -1.25 -3.41 116.57 115.13 1sql h LYS 86 Ca 0.19 -0.31 -0.66 0.00 -1.27 0.00 0.00 60.65 58.60 1sql h LYS 86 Cb 0.38 0.12 -0.39 0.00 -0.41 0.00 0.00 32.23 31.92 1sql h LYS 86 CO 0.00 1.08 -0.52 -0.06 -2.27 0.00 0.00 179.45 177.68 1sql s PHE 87 N -2.65 3.28 0.64 1.91 0.08 -0.83 -4.93 117.98 115.49 1sql s PHE 87 Ca -0.05 -3.02 0.34 0.00 0.12 0.00 0.00 56.93 54.33 1sql s PHE 87 Cb 0.08 -2.96 1.89 0.00 -0.57 0.00 0.00 43.02 41.45 1sql s PHE 87 CO 0.85 -0.77 2.11 0.45 -0.10 0.00 0.00 175.22 177.76 1sql h HIS 88 N 6.63 0.00 -0.63 0.36 3.86 -1.81 -2.08 115.15 121.48 1sql h HIS 88 Ca -0.04 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.07 1sql h HIS 88 Cb 0.91 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.35 1sql h HIS 88 CO 0.60 0.00 0.03 1.96 0.86 0.00 0.00 177.93 181.38 1sql h GLN 89 N 0.00 1.08 -6.80 2.45 4.20 -1.91 -3.44 115.11 110.70 1sql h GLN 89 Ca 0.03 -0.33 -0.53 0.00 0.06 0.00 0.00 58.65 57.88 1sql h GLN 89 Cb 0.43 -0.11 0.07 0.00 0.30 0.00 0.00 27.48 28.18 1sql h GLN 89 CO -0.00 1.04 0.81 0.42 -0.67 0.00 0.00 178.83 180.43 1sql s ILE 90 N -5.07 2.35 -0.13 2.54 1.01 -0.78 -4.81 121.20 116.30 1sql s ILE 90 Ca -0.12 0.30 0.18 0.00 0.00 0.00 0.00 60.65 61.01 1sql s ILE 90 Cb 0.14 -3.19 -0.23 0.00 0.01 0.00 0.00 42.46 39.18 1sql s ILE 90 CO 0.86 0.05 0.40 0.59 0.00 0.00 0.00 174.94 176.84 1sql n ASN 91 N 2.01 0.33 -3.55 3.58 3.02 0.16 -4.86 115.26 115.95 1sql n ASN 91 Ca 0.06 0.15 -0.13 0.00 -0.03 0.00 0.00 54.58 54.63 1sql n ASN 91 Cb 0.39 0.83 -0.05 0.00 -0.61 0.00 0.00 39.78 40.33 1sql n ASN 91 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sql s ALA 92 N -2.79 -1.86 -0.01 5.41 0.00 -1.22 -2.04 121.76 119.25 1sql s ALA 92 Ca -0.07 1.46 0.03 0.00 0.00 0.00 0.00 51.96 53.37 1sql s ALA 92 Cb 0.08 -0.39 -0.00 0.00 0.00 0.00 0.00 23.12 22.81 1sql s ALA 92 CO 0.84 -0.35 -0.09 0.54 0.00 0.00 0.00 175.76 176.70 1sql s VAL 93 N -1.23 0.72 -0.21 0.00 0.11 0.67 -0.03 120.40 120.43 1sql s VAL 93 Ca -0.05 -0.37 -0.02 0.00 -2.93 0.00 0.00 61.98 58.61 1sql s VAL 93 Cb -0.00 -0.61 0.00 0.00 -1.53 0.00 0.00 36.38 34.23 1sql s VAL 93 CO 0.04 0.21 -0.09 -0.60 -3.33 0.00 0.00 175.10 171.34 1sql s ARG 94 N -0.07 3.24 -0.14 1.54 3.52 0.01 -0.91 118.95 126.15 1sql s ARG 94 Ca 0.01 -0.70 0.02 0.00 -0.13 0.00 0.00 55.73 54.94 1sql s ARG 94 Cb -0.05 -2.89 0.01 0.00 -1.56 0.00 0.00 34.95 30.46 1sql s ARG 94 CO -0.00 -0.21 -0.22 0.08 -0.81 0.00 0.00 175.30 174.14 1sql s VAL 95 N 1.42 2.11 -0.25 7.11 1.01 -0.32 -0.96 120.40 130.52 1sql s VAL 95 Ca 0.05 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1sql s VAL 95 Cb -0.14 -1.84 0.05 0.00 0.00 0.00 0.00 36.38 34.44 1sql s VAL 95 CO -0.06 0.55 -0.10 -0.54 0.00 0.00 0.00 175.10 174.95 1sql s LYS 96 N 0.78 2.46 -0.16 2.72 1.02 0.01 -1.34 119.74 125.23 1sql s LYS 96 Ca -0.08 -1.21 -0.01 0.00 0.02 0.00 0.00 55.97 54.70 1sql s LYS 96 Cb -0.16 -2.90 -0.01 0.00 -0.52 0.00 0.00 37.83 34.24 1sql s LYS 96 CO -0.01 -0.50 -0.12 -1.17 -0.92 0.00 0.00 175.35 172.62 1sql s LEU 97 N 1.18 2.61 0.10 3.17 2.96 -0.98 -0.10 118.68 127.63 1sql s LEU 97 Ca -0.05 -0.42 -0.00 0.00 -0.22 0.00 0.00 54.13 53.43 1sql s LEU 97 Cb -0.18 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1sql s LEU 97 CO -0.05 0.08 0.01 -0.44 -1.32 0.00 0.00 176.35 174.62 1sql s SER 98 N 0.87 0.54 -0.25 3.68 0.01 -0.01 -1.13 113.70 117.41 1sql s SER 98 Ca -0.03 -1.11 -0.01 0.00 1.31 0.00 0.00 55.95 56.10 1sql s SER 98 Cb -0.15 0.22 0.03 0.00 0.21 0.00 0.00 66.02 66.34 1sql s SER 98 CO -0.00 -0.64 -0.07 -0.54 0.41 0.00 0.00 173.24 172.40 1sql s LYS 99 N -3.97 2.74 0.45 12.44 1.02 0.04 -1.33 119.74 131.13 1sql s LYS 99 Ca 0.17 -1.04 0.25 0.00 0.02 0.00 0.00 55.97 55.37 1sql s LYS 99 Cb 0.07 -2.98 0.68 0.00 -0.52 0.00 0.00 37.83 35.09 1sql s LYS 99 CO -0.03 -0.43 1.73 -1.35 -0.92 0.00 0.00 175.35 174.35 1sql h PRO 100 N 7.99 0.00 -2.91 -1.68 0.11 -1.79 -2.24 132.00 131.48 1sql h PRO 100 Ca -0.31 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.19 1sql h PRO 100 Cb 1.10 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.81 1sql h PRO 100 CO 0.56 0.10 -0.75 -0.80 -0.21 0.00 0.00 178.00 176.90 1sql s ASN 101 N -6.10 3.49 -0.33 -2.05 0.01 -1.26 -4.63 114.94 104.08 1sql s ASN 101 Ca 0.04 -2.76 -0.26 0.00 -0.71 0.00 0.00 52.86 49.17 1sql s ASN 101 Cb 0.07 -0.99 0.01 0.00 0.41 0.00 0.00 41.25 40.75 1sql s ASN 101 CO 0.64 -0.24 0.92 -0.69 -1.51 0.00 0.00 177.10 176.22 1sql s VAL 102 N 0.20 4.64 0.16 1.60 1.01 -1.26 -4.99 120.40 121.76 1sql s VAL 102 Ca 0.20 1.38 -0.33 0.00 0.00 0.00 0.00 61.98 63.23 1sql s VAL 102 Cb -0.19 -4.29 -0.16 0.00 0.00 0.00 0.00 36.38 31.73 1sql s VAL 102 CO -0.03 -0.40 1.13 0.00 0.00 0.00 0.00 175.10 175.79 1sql n ALA 103 N 6.58 -1.09 -0.98 5.51 0.00 -1.26 -2.21 120.51 127.05 1sql n ALA 103 Ca 0.07 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1sql n ALA 103 Cb 0.48 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 1.99 0.14 -4.43 0.00 4.77 -1.26 -5.00 117.00 113.21 1sql n LEU 104 Ca 0.16 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.70 1sql n LEU 104 Cb 0.23 -0.66 -0.08 0.00 -2.33 0.00 0.00 43.42 40.58 1sql n LEU 104 CO 0.61 -0.13 0.08 -0.63 -1.33 0.00 0.00 177.39 176.00 1sql s ILE 105 N -2.23 5.14 -0.38 -0.08 1.01 -0.94 -4.93 121.20 118.79 1sql s ILE 105 Ca 0.00 -0.74 0.26 0.00 0.00 0.00 0.00 60.65 60.18 1sql s ILE 105 Cb 0.00 -4.10 0.30 0.00 0.01 0.00 0.00 42.46 38.66 1sql s ILE 105 CO 0.00 -0.54 1.78 0.11 0.00 0.00 0.00 174.94 176.29 1sql h LYS 106 N 8.77 0.00 -6.18 2.79 6.56 -1.94 -3.46 116.57 123.11 1sql h LYS 106 Ca -0.28 0.00 -0.47 0.00 -1.06 0.00 0.00 60.65 58.84 1sql h LYS 106 Cb 1.11 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.76 1sql h LYS 106 CO 0.85 0.00 -0.44 -1.54 -2.06 0.00 0.00 179.45 176.26 1sql s SER 107 N -4.76 6.27 0.30 0.86 1.04 -1.26 -5.08 113.70 111.07 1sql s SER 107 Ca 0.05 0.06 -0.28 0.00 0.48 0.00 0.00 55.95 56.25 1sql s SER 107 Cb 0.09 -1.84 -0.09 0.00 0.10 0.00 0.00 66.02 64.28 1sql s SER 107 CO 0.48 -0.06 1.08 -0.89 0.98 0.00 0.00 173.24 174.83 1sql s THR 108 N -1.97 3.58 0.33 2.02 2.01 -1.26 -5.04 115.64 115.31 1sql s THR 108 Ca 0.34 1.51 -0.04 0.00 0.31 0.00 0.00 61.69 63.80 1sql s THR 108 Cb -0.09 -3.92 0.00 0.00 0.01 0.00 0.00 72.50 68.50 1sql s THR 108 CO 0.29 0.30 0.48 0.27 -0.69 0.00 0.00 174.62 175.26 1sql s ILE 109 N -1.27 0.00 -0.15 1.82 -4.36 -1.26 -5.08 121.20 110.90 1sql s ILE 109 Ca 0.47 -1.56 -0.11 0.00 -0.26 0.00 0.00 60.65 59.19 1sql s ILE 109 Cb -0.29 -2.59 -0.04 0.00 1.25 0.00 0.00 42.46 40.79 1sql s ILE 109 CO 0.37 0.00 -0.19 0.47 0.24 0.00 0.00 174.94 175.84 1sql n ASP 110 N -1.23 1.82 -3.61 4.36 9.92 -1.26 -5.05 116.55 121.50 1sql n ASP 110 Ca 0.00 0.60 -0.03 0.00 -0.53 0.00 0.00 54.79 54.83 1sql n ASP 110 Cb 0.62 -0.86 -0.02 0.00 -0.64 0.00 0.00 41.12 40.22 1sql n ASP 110 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 1sql s TYR 111 N -2.32 -0.08 0.01 1.24 -0.85 -1.26 -4.49 117.35 109.60 1sql s TYR 111 Ca -0.17 0.04 0.09 0.00 -0.52 0.00 0.00 57.07 56.51 1sql s TYR 111 Cb 0.02 0.51 -0.02 0.00 0.38 0.00 0.00 41.96 42.85 1sql s TYR 111 CO 0.25 -0.15 -0.26 -0.51 -1.52 0.00 0.00 175.55 173.37 1sql s LEU 112 N -2.25 2.14 0.00 -3.49 1.43 -0.84 -4.94 118.68 110.72 1sql s LEU 112 Ca 0.11 -0.52 -0.06 0.00 -1.03 0.00 0.00 54.13 52.63 1sql s LEU 112 Cb 0.00 -1.32 0.02 0.00 0.03 0.00 0.00 46.19 44.92 1sql s LEU 112 CO -0.04 0.29 0.28 0.61 0.23 0.00 0.00 176.35 177.72 1sql n GLY 113 N 2.09 1.05 3.55 -3.19 0.00 -1.26 -0.78 105.19 106.65 1sql n GLY 113 Ca -0.16 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.40 2.93 -0.23 1.61 -7.23 -0.28 -5.00 120.40 109.80 1sql s VAL 114 Ca 0.06 -2.16 -0.03 0.00 -1.81 0.00 0.00 61.98 58.04 1sql s VAL 114 Cb -0.01 -2.55 0.10 0.00 0.56 0.00 0.00 36.38 34.48 1sql s VAL 114 CO 0.01 -0.38 0.21 -0.62 -0.31 0.00 0.00 175.10 174.02 1sql s ASP 115 N -3.55 1.86 0.22 4.85 3.68 -1.26 -2.32 116.67 120.14 1sql s ASP 115 Ca 0.30 -0.54 0.10 0.00 2.13 0.00 0.00 52.55 54.55 1sql s ASP 115 Cb -0.06 0.24 -0.04 0.00 -1.45 0.00 0.00 42.92 41.61 1sql s ASP 115 CO 0.17 -0.36 -0.15 0.27 0.13 0.00 0.00 175.17 175.23 1sql s ILE 116 N 2.28 2.83 -0.07 4.11 -5.25 -0.45 -4.99 121.20 119.66 1sql s ILE 116 Ca 0.07 -1.97 0.00 0.00 -0.99 0.00 0.00 60.65 57.77 1sql s ILE 116 Cb -0.15 -2.43 0.02 0.00 2.95 0.00 0.00 42.46 42.85 1sql s ILE 116 CO -0.20 -0.21 -0.06 0.12 -1.79 0.00 0.00 174.94 172.80 1sql s PHE 117 N -1.96 1.07 -0.06 1.37 5.36 -1.26 -1.17 117.98 121.32 1sql s PHE 117 Ca 0.26 -0.40 0.02 0.00 -0.96 0.00 0.00 56.93 55.84 1sql s PHE 117 Cb -0.07 -0.92 0.01 0.00 -0.34 0.00 0.00 43.02 41.70 1sql s PHE 117 CO 0.14 -0.32 -0.11 1.03 -1.46 0.00 0.00 175.22 174.51 1sql s ARG 118 N 1.28 1.55 0.22 10.12 1.81 -0.08 -4.98 118.95 128.87 1sql s ARG 118 Ca -0.05 -0.36 0.08 0.00 -1.72 0.00 0.00 55.73 53.68 1sql s ARG 118 Cb -0.14 -1.31 -0.04 0.00 -0.45 0.00 0.00 34.95 33.01 1sql s ARG 118 CO -0.02 0.01 0.08 1.14 -0.68 0.00 0.00 175.30 175.82 1sql s GLN 119 N 0.71 2.61 0.27 3.54 0.00 -1.26 -0.23 119.66 125.29 1sql s GLN 119 Ca -0.14 -1.15 -0.27 0.00 -0.00 0.00 0.00 55.36 53.81 1sql s GLN 119 Cb -0.16 -2.41 -0.16 0.00 0.00 0.00 0.00 33.01 30.29 1sql s GLN 119 CO 0.03 0.42 0.60 0.54 0.00 0.00 0.00 175.29 176.88 1sql n ARG 120 N -0.71 0.39 -0.09 9.60 5.12 -0.86 -4.97 116.66 125.14 1sql n ARG 120 Ca -0.08 0.14 -0.14 0.00 -1.93 0.00 0.00 57.85 55.84 1sql n ARG 120 Cb 0.57 -1.26 -0.06 0.00 -1.16 0.00 0.00 32.46 30.55 1sql n ARG 120 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1sql n ASN 121 N 1.76 1.86 0.00 0.55 2.85 -1.26 -5.11 115.26 115.91 1sql n ASN 121 Ca 0.15 0.48 0.00 0.00 -0.11 0.00 0.00 54.58 55.10 1sql n ASN 121 Cb 0.30 -0.88 0.00 0.00 1.24 0.00 0.00 39.78 40.44 1sql n ASN 121 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50