#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sql s ASP 2 N 0.00 3.20 0.12 1.61 1.01 -1.26 -4.90 116.67 116.44 1sql s ASP 2 Ca 0.00 1.16 -0.25 0.00 0.71 0.00 0.00 52.55 54.18 1sql s ASP 2 Cb 0.00 -1.81 0.07 0.00 1.01 0.00 0.00 42.92 42.20 1sql s ASP 2 CO 0.00 -2.77 0.64 -1.59 0.21 0.00 0.00 175.17 171.67 1sql s LYS 3 N -5.08 1.20 -0.13 8.23 -2.85 -1.25 -1.80 119.74 118.05 1sql s LYS 3 Ca 0.64 -0.37 -0.10 0.00 -1.00 0.00 0.00 55.97 55.14 1sql s LYS 3 Cb -0.17 0.55 -0.05 0.00 -2.06 0.00 0.00 37.83 36.11 1sql s LYS 3 CO 0.56 -0.51 0.20 -0.51 0.10 0.00 0.00 175.35 175.19 1sql s LEU 4 N -2.55 4.33 -0.16 2.77 1.43 0.19 -4.90 118.68 119.79 1sql s LEU 4 Ca 0.00 0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 53.58 1sql s LEU 4 Cb -0.01 -2.20 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 1sql s LEU 4 CO -0.10 0.28 -0.13 -0.63 0.23 0.00 0.00 176.35 176.00 1sql s ILE 5 N -0.40 2.83 -0.29 -0.59 -1.09 -1.26 -1.15 121.20 119.26 1sql s ILE 5 Ca 0.15 -0.71 0.02 0.00 -2.23 0.00 0.00 60.65 57.88 1sql s ILE 5 Cb -0.13 -2.21 0.07 0.00 -1.58 0.00 0.00 42.46 38.62 1sql s ILE 5 CO 0.04 0.51 -0.05 -0.76 -1.23 0.00 0.00 174.94 173.44 1sql s LEU 6 N 0.79 3.86 -0.15 2.97 1.02 -0.03 -5.00 118.68 122.15 1sql s LEU 6 Ca -0.05 -1.57 -0.04 0.00 0.02 0.00 0.00 54.13 52.49 1sql s LEU 6 Cb -0.15 -1.60 -0.03 0.00 0.02 0.00 0.00 46.19 44.43 1sql s LEU 6 CO 0.01 -0.25 -0.02 -0.75 0.02 0.00 0.00 176.35 175.35 1sql s LYS 7 N 1.08 3.58 -1.41 1.70 2.47 -1.26 0.02 119.74 125.92 1sql s LYS 7 Ca -0.04 -0.49 -0.10 0.00 -1.56 0.00 0.00 55.97 53.78 1sql s LYS 7 Cb -0.20 -2.91 0.03 0.00 -1.46 0.00 0.00 37.83 33.29 1sql s LYS 7 CO -0.05 0.32 1.10 0.41 0.16 0.00 0.00 175.35 177.29 1sql n GLY 8 N 3.30 -0.52 3.69 5.54 0.00 -1.06 -4.96 105.19 111.19 1sql n GLY 8 Ca -0.17 0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1sql n GLY 8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sql s LEU 9 N -7.24 4.33 -0.24 0.99 1.43 0.23 -4.75 118.68 113.43 1sql s LEU 9 Ca 0.57 2.19 -0.07 0.00 -1.03 0.00 0.00 54.13 55.79 1sql s LEU 9 Cb -0.26 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.36 1sql s LEU 9 CO 0.77 -0.74 0.06 -0.54 0.23 0.00 0.00 176.35 176.13 1sql s LYS 10 N 2.30 3.66 0.03 1.70 1.02 -1.26 -0.93 119.74 126.27 1sql s LYS 10 Ca 0.65 -0.48 0.04 0.00 0.02 0.00 0.00 55.97 56.21 1sql s LYS 10 Cb -0.33 -3.28 -0.02 0.00 -0.52 0.00 0.00 37.83 33.68 1sql s LYS 10 CO 0.28 -0.14 -0.12 -0.06 -0.92 0.00 0.00 175.35 174.39 1sql s PHE 11 N 1.46 1.09 -0.16 3.18 0.08 -0.91 -4.95 117.98 117.77 1sql s PHE 11 Ca 0.06 -0.32 -0.13 0.00 0.12 0.00 0.00 56.93 56.65 1sql s PHE 11 Cb -0.15 -0.66 -0.05 0.00 -0.57 0.00 0.00 43.02 41.59 1sql s PHE 11 CO 0.03 0.01 0.28 -0.47 -0.10 0.00 0.00 175.22 174.97 1sql s TYR 12 N -0.75 3.47 0.36 0.36 6.14 -1.26 -0.40 117.35 125.26 1sql s TYR 12 Ca 0.01 0.59 0.01 0.00 0.64 0.00 0.00 57.07 58.31 1sql s TYR 12 Cb -0.07 -2.32 -0.00 0.00 0.42 0.00 0.00 41.96 39.99 1sql s TYR 12 CO 0.01 0.26 0.45 0.20 0.64 0.00 0.00 175.55 177.11 1sql s GLY 13 N 0.39 1.77 -0.18 8.97 0.00 -0.44 -4.41 107.32 113.42 1sql s GLY 13 Ca 0.16 -1.69 0.13 0.00 0.00 0.00 0.00 44.72 43.32 1sql s GLY 13 CO 0.04 -1.11 1.20 0.69 0.00 0.00 0.00 173.10 173.92 1sql n PHE 14 N -0.61 0.00 -1.54 1.90 3.01 -1.26 -0.88 117.46 118.08 1sql n PHE 14 Ca 0.02 -1.33 -0.32 0.00 1.01 0.00 0.00 57.45 56.83 1sql n PHE 14 Cb 0.61 -0.22 0.07 0.00 -0.01 0.00 0.00 39.48 39.93 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 -2.98 2.52 0.00 1.38 3.76 -1.26 -3.91 115.29 114.81 1sql s HIS 15 Ca 0.36 1.57 0.00 0.00 -0.15 0.00 0.00 55.06 56.84 1sql s HIS 15 Cb 0.35 -3.16 0.00 0.00 1.11 0.00 0.00 32.58 30.88 1sql s HIS 15 CO -0.05 -1.84 0.00 0.41 -0.85 0.00 0.00 174.74 172.41 1sql n GLY 16 N -0.63 4.40 0.11 -2.22 0.00 0.79 -4.67 105.19 102.98 1sql n GLY 16 Ca 0.10 -1.32 -0.16 0.00 0.00 0.00 0.00 46.02 44.65 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 0.37 -2.74 4.61 0.00 -1.77 -3.37 119.26 116.36 1sql h ALA 17 Ca 0.00 -1.19 -0.52 0.00 0.00 0.00 0.00 54.91 53.20 1sql h ALA 17 Cb 0.00 0.34 0.04 0.00 0.00 0.00 0.00 17.79 18.17 1sql h ALA 17 CO 0.00 1.23 0.62 0.42 0.00 0.00 0.00 179.25 181.53 1sql s ILE 18 N -2.61 3.13 0.26 0.00 -1.09 -1.26 -4.94 121.20 114.69 1sql s ILE 18 Ca -0.09 1.00 -0.03 0.00 -2.23 0.00 0.00 60.65 59.30 1sql s ILE 18 Cb 0.07 -3.64 0.15 0.00 -1.58 0.00 0.00 42.46 37.47 1sql s ILE 18 CO 0.84 0.18 1.81 0.00 -1.23 0.00 0.00 174.94 176.54 1sql h ALA 19 N 4.70 1.16 0.00 9.38 0.00 -2.01 -2.35 119.26 130.15 1sql h ALA 19 Ca -0.46 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 1sql h ALA 19 Cb 1.22 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1sql h ALA 19 CO 0.73 0.58 -0.05 0.93 0.00 0.00 0.00 179.25 181.44 1sql h GLU 20 N 0.89 0.00 0.06 0.00 3.07 -1.99 -2.26 114.58 114.35 1sql h GLU 20 Ca 0.20 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.82 1sql h GLU 20 Cb 0.29 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1sql h GLU 20 CO -0.00 0.05 -1.06 0.93 -1.40 0.00 0.00 179.01 177.52 1sql h GLU 21 N 0.00 0.28 0.00 2.33 5.08 -1.79 -1.65 114.58 118.83 1sql h GLU 21 Ca -0.00 -0.38 -0.07 0.00 -1.00 0.00 0.00 59.36 57.90 1sql h GLU 21 Cb 0.27 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1sql h GLU 21 CO 0.01 1.12 -0.36 -0.09 -1.00 0.00 0.00 179.01 178.69 1sql h ARG 22 N 0.12 0.00 0.11 2.33 2.43 -1.32 0.02 114.38 118.07 1sql h ARG 22 Ca -0.09 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.76 1sql h ARG 22 Cb 1.74 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.28 1sql h ARG 22 CO 0.17 0.36 -1.67 1.79 -1.51 0.00 0.00 179.97 179.11 1sql h THR 23 N 0.00 0.83 0.02 0.20 1.35 -1.54 -3.41 112.91 110.36 1sql h THR 23 Ca -0.00 -2.35 -0.24 0.00 -0.55 0.00 0.00 66.41 63.27 1sql h THR 23 Cb 0.64 2.54 0.02 0.00 -1.73 0.00 0.00 68.15 69.62 1sql h THR 23 CO 0.05 0.73 -0.93 -0.07 -0.25 0.00 0.00 175.52 175.05 1sql h LEU 24 N -0.23 0.79 0.00 3.87 3.38 -1.30 -3.51 115.31 118.31 1sql h LEU 24 Ca -0.37 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 56.84 1sql h LEU 24 Cb 1.83 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1sql h LEU 24 CO 0.03 1.45 0.00 0.61 0.09 0.00 0.00 178.44 180.63 1sql n GLY 25 N 1.13 -2.48 3.59 0.83 0.00 -0.01 -5.02 105.19 103.23 1sql n GLY 25 Ca -0.11 -1.60 0.04 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.99 0.05 0.37 1.61 -2.07 -0.06 -4.97 119.66 113.59 1sql s GLN 26 Ca 0.00 -0.03 -0.18 0.00 -1.82 0.00 0.00 55.36 53.33 1sql s GLN 26 Cb 0.00 0.02 -0.10 0.00 -1.09 0.00 0.00 33.01 31.84 1sql s GLN 26 CO 0.00 -0.02 0.83 -1.64 -1.32 0.00 0.00 175.29 173.14 1sql s MET 27 N -2.05 4.12 0.03 9.60 -1.94 -1.26 -1.32 119.30 126.49 1sql s MET 27 Ca 0.16 0.88 0.05 0.00 -1.71 0.00 0.00 55.69 55.08 1sql s MET 27 Cb 0.07 -2.35 -0.02 0.00 2.01 0.00 0.00 34.83 34.54 1sql s MET 27 CO -0.06 0.09 -0.15 -0.06 -0.01 0.00 0.00 175.02 174.82 1sql s PHE 28 N -2.04 1.33 -0.16 -0.03 0.40 0.46 -4.28 117.98 113.66 1sql s PHE 28 Ca 0.57 -0.34 -0.04 0.00 -0.60 0.00 0.00 56.93 56.52 1sql s PHE 28 Cb -0.10 -0.80 -0.03 0.00 0.51 0.00 0.00 43.02 42.60 1sql s PHE 28 CO 0.16 0.04 -0.03 -0.51 0.70 0.00 0.00 175.22 175.58 1sql s LEU 29 N -1.06 3.32 -0.04 -0.37 1.43 0.11 -2.14 118.68 119.93 1sql s LEU 29 Ca 0.03 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.06 1sql s LEU 29 Cb -0.08 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.34 1sql s LEU 29 CO 0.01 0.18 -0.12 -0.69 0.23 0.00 0.00 176.35 175.96 1sql s VAL 30 N 0.32 1.06 -0.08 -1.59 1.01 -0.11 0.27 120.40 121.28 1sql s VAL 30 Ca -0.03 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.51 1sql s VAL 30 Cb -0.14 -0.94 -0.00 0.00 0.00 0.00 0.00 36.38 35.29 1sql s VAL 30 CO 0.03 0.32 -0.24 -1.81 0.00 0.00 0.00 175.10 173.40 1sql s ASP 31 N 0.31 3.05 -0.07 3.32 1.01 0.01 -0.60 116.67 123.70 1sql s ASP 31 Ca -0.07 -0.53 0.01 0.00 0.71 0.00 0.00 52.55 52.67 1sql s ASP 31 Cb -0.12 -1.13 0.02 0.00 1.01 0.00 0.00 42.92 42.70 1sql s ASP 31 CO 0.02 0.20 -0.08 -0.63 0.21 0.00 0.00 175.17 174.88 1sql s ILE 32 N 0.11 0.92 -0.15 0.77 -1.09 0.10 -1.26 121.20 120.60 1sql s ILE 32 Ca -0.12 -0.31 -0.00 0.00 -2.23 0.00 0.00 60.65 57.99 1sql s ILE 32 Cb -0.16 -0.89 -0.01 0.00 -1.58 0.00 0.00 42.46 39.82 1sql s ILE 32 CO 0.06 0.32 -0.13 -1.81 -1.23 0.00 0.00 174.94 172.16 1sql s ASP 33 N 1.07 3.89 -0.25 3.58 -0.00 -0.50 -0.85 116.67 123.61 1sql s ASP 33 Ca -0.08 -0.40 0.02 0.00 -0.00 0.00 0.00 52.55 52.10 1sql s ASP 33 Cb -0.14 -1.61 0.06 0.00 -0.00 0.00 0.00 42.92 41.23 1sql s ASP 33 CO -0.01 0.11 -0.11 0.00 -0.00 0.00 0.00 175.17 175.16 1sql s ALA 34 N 0.70 2.44 -0.21 5.23 0.00 -0.30 -1.15 121.76 128.47 1sql s ALA 34 Ca -0.06 -1.65 -0.29 0.00 0.00 0.00 0.00 51.96 49.95 1sql s ALA 34 Cb -0.15 -1.53 -0.01 0.00 0.00 0.00 0.00 23.12 21.43 1sql s ALA 34 CO 0.02 -1.14 1.24 -1.58 0.00 0.00 0.00 175.76 174.29 1sql s TRP 35 N 1.17 2.88 -0.28 0.00 0.51 0.08 -0.64 118.94 122.66 1sql s TRP 35 Ca -0.07 1.04 -0.21 0.00 -2.12 0.00 0.00 56.10 54.73 1sql s TRP 35 Cb -0.19 -3.58 0.10 0.00 -0.81 0.00 0.00 33.47 28.98 1sql s TRP 35 CO -0.06 -1.51 0.82 0.54 -0.51 0.00 0.00 176.95 176.23 1sql s VAL 36 N 3.69 0.00 0.12 4.03 0.11 -0.74 -0.38 120.40 127.23 1sql s VAL 36 Ca 0.53 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.27 1sql s VAL 36 Cb -0.19 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.56 1sql s VAL 36 CO 0.16 0.00 1.68 -0.55 -3.33 0.00 0.00 175.10 173.06 1sql s SER 37 N 0.86 6.54 0.00 3.54 0.15 -1.26 -3.90 113.70 119.63 1sql s SER 37 Ca -0.04 2.62 0.12 0.00 0.70 0.00 0.00 55.95 59.35 1sql s SER 37 Cb -0.05 -2.57 0.18 0.00 -1.71 0.00 0.00 66.02 61.87 1sql s SER 37 CO -0.09 -0.91 1.02 0.18 1.20 0.00 0.00 173.24 174.65 1sql n LEU 38 N 5.06 2.36 -0.04 3.45 4.77 -1.26 -4.63 117.00 126.71 1sql n LEU 38 Ca 0.16 -1.39 -0.09 0.00 -0.03 0.00 0.00 56.01 54.67 1sql n LEU 38 Cb 0.39 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 1sql n LEU 38 CO 0.63 0.52 0.86 0.50 -1.33 0.00 0.00 177.39 178.57 1sql h LYS 39 N 2.23 0.06 0.23 3.23 1.63 -1.96 -0.90 116.57 121.09 1sql h LYS 39 Ca 0.00 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1sql h LYS 39 Cb 0.59 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.19 1sql h LYS 39 CO 0.00 0.04 -0.25 -0.22 -3.45 0.00 0.00 179.45 175.57 1sql h LYS 40 N 0.06 -0.46 -0.72 1.90 1.63 -1.90 -2.48 116.57 114.59 1sql h LYS 40 Ca 0.09 0.03 0.17 0.00 -0.85 0.00 0.00 60.65 60.09 1sql h LYS 40 Cb 0.12 0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 31.81 1sql h LYS 40 CO -0.16 -0.31 0.50 0.00 -3.45 0.00 0.00 179.45 176.02 1sql h ALA 41 N -1.32 2.31 0.00 5.00 0.00 -1.69 0.74 119.26 124.30 1sql h ALA 41 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1sql h ALA 41 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1sql h ALA 41 CO -0.04 -0.52 0.00 0.78 0.00 0.00 0.00 179.25 179.47 1sql h GLY 42 N 0.25 0.00 0.00 0.00 0.00 -0.74 0.19 103.07 102.77 1sql h GLY 42 Ca 0.36 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.51 1sql h GLY 42 CO -0.08 0.00 -2.09 1.18 0.00 0.00 0.00 176.54 175.54 1sql n GLU 43 N -2.80 0.80 -0.01 4.80 1.02 0.18 -4.48 120.64 120.15 1sql n GLU 43 Ca 0.01 -0.09 -0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1sql n GLU 43 Cb 0.27 -1.47 -0.12 0.00 -0.02 0.00 0.00 31.44 30.10 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 -2.45 0.45 -3.21 1.62 3.41 -0.78 -4.99 113.62 107.67 1sql n SER 44 Ca -0.17 0.20 -0.23 0.00 -0.26 0.00 0.00 58.87 58.40 1sql n SER 44 Cb 0.82 0.78 0.05 0.00 -0.26 0.00 0.00 64.21 65.60 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 -2.71 -6.18 -4.06 4.04 2.03 0.65 -4.98 116.55 105.33 1sql n ASP 45 Ca -0.15 -0.37 -0.32 0.00 0.52 0.00 0.00 54.79 54.47 1sql n ASP 45 Cb 0.86 -4.95 -0.16 0.00 -0.72 0.00 0.00 41.12 36.15 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 -2.90 3.56 0.51 1.67 2.47 -1.25 -5.01 114.94 113.99 1sql s ASN 46 Ca 0.40 -0.92 0.39 0.00 0.42 0.00 0.00 52.86 53.14 1sql s ASN 46 Cb -0.18 -1.41 1.56 0.00 -1.45 0.00 0.00 41.25 39.77 1sql s ASN 46 CO 0.49 -0.10 1.67 0.25 -3.72 0.00 0.00 177.10 175.69 1sql h LEU 47 N 7.91 0.10 -1.69 3.21 6.46 -1.93 0.99 115.31 130.36 1sql h LEU 47 Ca -0.33 0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.45 1sql h LEU 47 Cb 1.10 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 41.06 1sql h LEU 47 CO 0.53 -0.04 -0.14 -0.33 -0.62 0.00 0.00 178.44 177.85 1sql h GLU 48 N 0.05 0.00 -0.00 1.25 5.08 -2.00 -2.76 114.58 116.20 1sql h GLU 48 Ca 0.77 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.13 1sql h GLU 48 Cb 2.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.10 1sql h GLU 48 CO -0.14 0.14 -0.02 -0.25 -1.00 0.00 0.00 179.01 177.74 1sql n ASP 49 N -3.48 0.19 -2.17 1.42 8.00 0.34 -4.85 116.55 116.00 1sql n ASP 49 Ca -0.01 -0.74 -0.09 0.00 0.71 0.00 0.00 54.79 54.67 1sql n ASP 49 Cb 0.29 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 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 -0.98 0.00 -3.94 -3.53 5.66 -1.04 -4.04 114.28 106.40 1sql n THR 50 Ca 0.19 -0.88 -0.35 0.00 -3.05 0.00 0.00 64.05 59.96 1sql n THR 50 Cb 0.19 0.36 -0.14 0.00 -1.55 0.00 0.00 70.33 69.19 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 -2.24 3.13 0.06 1.09 1.01 -1.26 -4.98 121.20 118.01 1sql s ILE 51 Ca 0.10 -0.64 -0.33 0.00 0.00 0.00 0.00 60.65 59.78 1sql s ILE 51 Cb 0.00 -2.44 -0.12 0.00 0.01 0.00 0.00 42.46 39.92 1sql s ILE 51 CO 0.07 0.40 1.81 -0.24 0.00 0.00 0.00 174.94 176.97 1sql n SER 52 N 4.76 3.67 0.07 3.58 2.88 -1.26 -4.80 113.62 122.52 1sql n SER 52 Ca -0.18 1.00 0.07 0.00 -1.33 0.00 0.00 58.87 58.42 1sql n SER 52 Cb 0.50 -1.47 0.33 0.00 -0.75 0.00 0.00 64.21 62.82 1sql n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sql n TYR 53 N 5.60 0.37 0.08 0.66 -0.00 -1.26 -1.04 117.16 121.58 1sql n TYR 53 Ca 0.19 0.18 -0.10 0.00 -0.00 0.00 0.00 57.90 58.17 1sql n TYR 53 Cb 0.33 -0.78 -0.02 0.00 -0.00 0.00 0.00 39.34 38.87 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 1.47 -0.17 -3.48 2.07 -1.99 0.07 116.25 114.23 1sql h VAL 54 Ca 0.00 -2.57 -0.17 0.00 0.82 0.00 0.00 66.70 64.79 1sql h VAL 54 Cb 0.11 2.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1sql h VAL 54 CO 0.00 0.75 -0.58 0.44 0.02 0.00 0.00 177.57 178.20 1sql h ASP 55 N 0.14 0.61 -0.31 0.57 3.32 -1.45 -0.71 116.42 118.59 1sql h ASP 55 Ca -0.05 -0.34 -0.07 0.00 0.02 0.00 0.00 57.03 56.59 1sql h ASP 55 Cb 1.52 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.88 1sql h ASP 55 CO 0.14 1.05 -0.07 0.40 -1.72 0.00 0.00 179.24 179.05 1sql h ILE 56 N 0.41 1.28 0.12 0.35 1.08 -1.44 -2.07 117.51 117.25 1sql h ILE 56 Ca 0.00 -1.09 0.02 0.00 -0.39 0.00 0.00 64.86 63.39 1sql h ILE 56 Cb 1.13 1.36 -0.03 0.00 -3.07 0.00 0.00 36.82 36.22 1sql h ILE 56 CO 0.11 0.35 -0.23 0.15 -0.69 0.00 0.00 178.15 177.84 1sql h PHE 57 N 0.36 -0.62 -0.64 1.37 3.57 -0.77 -1.52 116.94 118.68 1sql h PHE 57 Ca 0.08 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.65 1sql h PHE 57 Cb 0.55 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.49 1sql h PHE 57 CO 0.05 -0.33 0.35 0.77 -2.23 0.00 0.00 178.31 176.91 1sql h SER 58 N -0.43 0.51 -0.22 0.41 0.02 -1.12 0.18 113.55 112.89 1sql h SER 58 Ca 0.03 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1sql h SER 58 Cb 0.46 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.88 1sql h SER 58 CO -0.13 0.33 -0.08 0.25 -1.14 0.00 0.00 176.83 176.06 1sql h LEU 59 N 0.65 -0.29 -0.05 5.07 6.46 -1.08 0.95 115.31 127.01 1sql h LEU 59 Ca 0.29 0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 58.12 1sql h LEU 59 Cb 0.18 0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 40.28 1sql h LEU 59 CO -0.18 -0.11 0.03 0.00 -0.62 0.00 0.00 178.44 177.56 1sql h ALA 60 N 1.16 0.07 -0.99 1.25 0.00 -0.31 -2.36 119.26 118.07 1sql h ALA 60 Ca 0.11 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.09 1sql h ALA 60 Cb 0.22 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 1sql h ALA 60 CO -0.25 -0.39 0.62 -0.22 0.00 0.00 0.00 179.25 179.01 1sql h LYS 61 N -0.00 0.97 -0.32 0.00 3.64 -0.35 0.20 116.57 120.71 1sql h LYS 61 Ca 0.02 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1sql h LYS 61 Cb 0.08 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1sql h LYS 61 CO -0.00 0.64 0.12 1.49 -2.27 0.00 0.00 179.45 179.42 1sql h GLU 62 N 1.00 0.48 0.09 1.90 4.81 -0.53 -1.82 114.58 120.51 1sql h GLU 62 Ca 0.49 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1sql h GLU 62 Cb 0.45 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1sql h GLU 62 CO -0.26 0.50 -0.04 0.82 -0.73 0.00 0.00 179.01 179.30 1sql h ILE 63 N 0.36 1.15 -0.50 2.32 2.04 -0.87 -0.97 117.51 121.04 1sql h ILE 63 Ca 0.10 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 1sql h ILE 63 Cb 0.21 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 1sql h ILE 63 CO -0.01 0.24 0.28 0.58 0.00 0.00 0.00 178.15 179.24 1sql h VAL 64 N -0.58 1.15 -0.02 1.67 2.07 -1.02 -1.53 116.25 117.99 1sql h VAL 64 Ca -0.01 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1sql h VAL 64 Cb 0.48 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1sql h VAL 64 CO 0.02 0.17 -0.11 -0.62 0.02 0.00 0.00 177.57 177.04 1sql n GLU 65 N -4.41 1.78 0.00 1.57 1.02 -0.68 -4.32 120.64 115.59 1sql n GLU 65 Ca 0.04 -1.33 0.00 0.00 -0.02 0.00 0.00 57.16 55.85 1sql n GLU 65 Cb 0.09 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 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 1.31 0.74 3.66 0.62 0.00 -0.37 -4.87 105.19 106.28 1sql n GLY 66 Ca 0.14 -1.60 -0.52 0.00 0.00 0.00 0.00 46.02 44.04 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 2.48 -4.77 1.61 7.64 -1.26 -4.77 113.62 114.55 1sql n SER 67 Ca 0.00 1.07 -0.40 0.00 1.01 0.00 0.00 58.87 60.55 1sql n SER 67 Cb 0.00 -1.26 0.01 0.00 -1.01 0.00 0.00 64.21 61.95 1sql n SER 67 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1sql s PRO 68 N 2.06 3.78 0.14 1.43 0.04 -1.26 -5.00 135.00 136.20 1sql s PRO 68 Ca 0.89 2.44 0.05 0.00 0.04 0.00 0.00 61.00 64.41 1sql s PRO 68 Cb -0.88 -2.72 -0.04 0.00 0.04 0.00 0.00 34.50 30.90 1sql s PRO 68 CO 0.51 -0.75 -0.12 1.03 0.04 0.00 0.00 177.00 177.71 1sql s ARG 69 N -2.37 1.07 0.15 4.56 3.00 -1.26 -5.00 118.95 119.10 1sql s ARG 69 Ca 0.59 -1.39 -0.06 0.00 0.00 0.00 0.00 55.73 54.87 1sql s ARG 69 Cb -0.44 -0.75 -0.01 0.00 0.00 0.00 0.00 34.95 33.75 1sql s ARG 69 CO 0.57 0.12 1.41 -0.91 0.00 0.00 0.00 175.30 176.49 1sql h ASN 70 N 3.00 0.69 -3.57 0.23 2.35 -1.95 0.23 115.58 116.56 1sql h ASN 70 Ca -0.38 -0.43 -0.67 0.00 -0.55 0.00 0.00 56.30 54.27 1sql h ASN 70 Cb 1.20 -0.20 -0.19 0.00 0.05 0.00 0.00 38.32 39.17 1sql h ASN 70 CO 0.59 1.19 -0.82 -0.76 -1.65 0.00 0.00 177.43 175.98 1sql s LEU 71 N -8.24 2.56 0.24 1.61 1.43 -1.26 -2.57 118.68 112.45 1sql s LEU 71 Ca -0.08 -0.69 -0.02 0.00 -1.03 0.00 0.00 54.13 52.31 1sql s LEU 71 Cb 0.10 -1.38 0.29 0.00 0.03 0.00 0.00 46.19 45.23 1sql s LEU 71 CO 0.86 0.16 1.69 -0.07 0.23 0.00 0.00 176.35 179.23 1sql h LEU 72 N 3.56 0.71 -0.73 1.79 3.38 -1.95 -2.56 115.31 119.51 1sql h LEU 72 Ca -0.49 -0.22 0.13 0.00 0.09 0.00 0.00 57.88 57.38 1sql h LEU 72 Cb 1.18 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 41.65 1sql h LEU 72 CO 0.45 0.87 0.30 -0.33 0.09 0.00 0.00 178.44 179.82 1sql h GLU 73 N 0.64 0.45 -0.47 1.13 3.07 -1.94 0.17 114.58 117.63 1sql h GLU 73 Ca 0.10 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.36 58.81 1sql h GLU 73 Cb 0.62 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 1sql h GLU 73 CO 0.04 0.30 -0.20 1.15 -1.40 0.00 0.00 179.01 178.90 1sql h THR 74 N 0.46 1.27 -0.38 1.13 2.02 -1.88 -0.06 112.91 115.47 1sql h THR 74 Ca 0.39 -1.35 -0.16 0.00 0.77 0.00 0.00 66.41 66.06 1sql h THR 74 Cb 0.55 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1sql h THR 74 CO -0.37 0.46 -0.38 0.58 0.37 0.00 0.00 175.52 176.19 1sql h VAL 75 N 0.82 1.27 -0.27 3.16 2.07 -1.01 -0.53 116.25 121.76 1sql h VAL 75 Ca 0.11 -1.55 -0.07 0.00 0.82 0.00 0.00 66.70 66.01 1sql h VAL 75 Cb 0.76 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1sql h VAL 75 CO 0.06 0.52 -0.13 0.00 0.02 0.00 0.00 177.57 178.04 1sql h ALA 76 N 0.81 1.28 -0.18 1.67 0.00 -0.54 -0.61 119.26 121.69 1sql h ALA 76 Ca 0.06 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1sql h ALA 76 Cb 0.97 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1sql h ALA 76 CO 0.09 0.48 -0.08 1.49 0.00 0.00 0.00 179.25 181.23 1sql h GLU 77 N 0.42 0.37 -0.52 0.00 4.57 -0.76 -2.30 114.58 116.37 1sql h GLU 77 Ca 0.08 -0.16 0.07 0.00 -1.18 0.00 0.00 59.36 58.17 1sql h GLU 77 Cb 0.48 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.00 1sql h GLU 77 CO 0.03 0.67 0.19 -0.07 -1.18 0.00 0.00 179.01 178.65 1sql h LEU 78 N 0.05 0.20 0.11 1.64 -0.00 -0.64 -0.70 115.31 115.97 1sql h LEU 78 Ca 0.04 0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 57.98 1sql h LEU 78 Cb 0.56 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.26 1sql h LEU 78 CO 0.03 0.14 -0.05 0.40 -0.00 0.00 0.00 178.44 178.95 1sql h ILE 79 N 0.37 0.92 0.04 1.22 1.08 -1.03 -0.82 117.51 119.30 1sql h ILE 79 Ca 0.25 -0.10 -0.00 0.00 -0.39 0.00 0.00 64.86 64.62 1sql h ILE 79 Cb 0.27 0.98 0.00 0.00 -3.07 0.00 0.00 36.82 35.00 1sql h ILE 79 CO -0.25 0.02 -0.02 0.00 -0.69 0.00 0.00 178.15 177.21 1sql h ALA 80 N 0.70 -0.06 -0.50 1.87 0.00 -1.19 -0.55 119.26 119.53 1sql h ALA 80 Ca -0.01 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1sql h ALA 80 Cb 0.15 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1sql h ALA 80 CO 0.02 -0.51 -0.08 0.66 0.00 0.00 0.00 179.25 179.35 1sql h SER 81 N -0.10 0.89 -0.46 0.00 4.64 -1.12 -0.70 113.55 116.70 1sql h SER 81 Ca -0.01 -0.27 -0.09 0.00 -0.47 0.00 0.00 61.79 60.96 1sql h SER 81 Cb 0.08 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 1sql h SER 81 CO 0.01 0.99 -0.07 0.11 -0.87 0.00 0.00 176.83 177.00 1sql h LYS 82 N 0.82 0.86 -0.66 4.77 6.56 -1.09 0.75 116.57 128.58 1sql h LYS 82 Ca 0.14 -0.31 -0.07 0.00 -1.06 0.00 0.00 60.65 59.35 1sql h LYS 82 Cb 0.59 -0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 32.17 1sql h LYS 82 CO 0.04 0.94 0.14 1.15 -2.06 0.00 0.00 179.45 179.67 1sql h THR 83 N 0.70 1.26 -0.32 -0.16 2.02 -0.91 0.42 112.91 115.92 1sql h THR 83 Ca 0.12 -0.96 -0.17 0.00 0.77 0.00 0.00 66.41 66.18 1sql h THR 83 Cb 0.60 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1sql h THR 83 CO 0.04 0.36 -0.46 -0.07 0.37 0.00 0.00 175.52 175.76 1sql h LEU 84 N 0.99 0.90 -0.39 2.58 4.07 -0.94 -2.63 115.31 119.90 1sql h LEU 84 Ca 0.21 -0.44 -0.15 0.00 0.08 0.00 0.00 57.88 57.57 1sql h LEU 84 Cb 0.37 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 1sql h LEU 84 CO 0.00 1.22 -0.35 -0.08 -1.08 0.00 0.00 178.44 178.16 1sql h GLU 85 N 0.66 0.92 0.00 1.13 4.81 -0.57 -3.29 114.58 118.24 1sql h GLU 85 Ca 0.04 -0.47 -0.14 0.00 -0.13 0.00 0.00 59.36 58.66 1sql h GLU 85 Cb 1.04 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 1sql h GLU 85 CO 0.10 1.12 -0.67 -0.22 -0.73 0.00 0.00 179.01 178.61 1sql h LYS 86 N 0.73 0.00 -4.31 1.92 1.63 -0.94 -3.42 116.57 112.18 1sql h LYS 86 Ca 0.07 0.00 -0.63 0.00 -0.85 0.00 0.00 60.65 59.24 1sql h LYS 86 Cb 0.94 0.00 -0.39 0.00 -0.60 0.00 0.00 32.23 32.17 1sql h LYS 86 CO 0.09 0.67 -0.75 -0.06 -3.45 0.00 0.00 179.45 175.95 1sql s PHE 87 N -3.23 2.86 0.37 1.91 0.08 -0.99 -5.00 117.98 113.98 1sql s PHE 87 Ca 0.00 -2.34 0.04 0.00 0.12 0.00 0.00 56.93 54.76 1sql s PHE 87 Cb 0.11 -2.24 0.72 0.00 -0.57 0.00 0.00 43.02 41.04 1sql s PHE 87 CO 0.76 -0.89 2.01 1.12 -0.10 0.00 0.00 175.22 178.13 1sql h HIS 88 N 7.83 0.71 0.00 0.36 2.07 -1.82 -2.78 115.15 121.51 1sql h HIS 88 Ca -0.11 0.02 -0.03 0.00 -2.85 0.00 0.00 60.37 57.40 1sql h HIS 88 Cb 1.03 -0.24 -0.00 0.00 2.57 0.00 0.00 27.41 30.77 1sql h HIS 88 CO 0.45 0.43 -0.16 1.96 -3.07 0.00 0.00 177.93 177.54 1sql h GLN 89 N 0.75 0.00 -6.39 5.12 4.20 -1.94 -3.43 115.11 113.43 1sql h GLN 89 Ca 0.23 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.39 1sql h GLN 89 Cb -0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1sql h GLN 89 CO -0.06 0.16 0.89 0.42 -0.67 0.00 0.00 178.83 179.58 1sql s ILE 90 N -4.36 3.53 -0.02 2.54 -1.09 -1.05 -4.70 121.20 116.05 1sql s ILE 90 Ca -0.03 0.92 0.04 0.00 -2.23 0.00 0.00 60.65 59.35 1sql s ILE 90 Cb 0.14 -3.59 -0.25 0.00 -1.58 0.00 0.00 42.46 37.19 1sql s ILE 90 CO 0.63 -0.01 0.75 0.78 -1.23 0.00 0.00 174.94 175.87 1sql h ASN 91 N 8.05 0.18 -5.07 3.58 2.35 -0.99 -3.44 115.58 120.23 1sql h ASN 91 Ca -0.39 -0.30 -0.04 0.00 -0.55 0.00 0.00 56.30 55.01 1sql h ASN 91 Cb 1.18 -0.06 -0.12 0.00 0.05 0.00 0.00 38.32 39.37 1sql h ASN 91 CO 0.91 1.26 -0.02 0.00 -1.65 0.00 0.00 177.43 177.94 1sql s ALA 92 N -2.61 -1.02 -0.06 -0.83 0.00 -1.24 -0.89 121.76 115.12 1sql s ALA 92 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.84 1sql s ALA 92 Cb 0.08 0.74 0.02 0.00 0.00 0.00 0.00 23.12 23.96 1sql s ALA 92 CO 0.82 -0.68 0.14 0.08 0.00 0.00 0.00 175.76 176.12 1sql s VAL 93 N -3.81 -0.01 -0.14 0.00 1.01 0.58 -0.74 120.40 117.29 1sql s VAL 93 Ca 0.04 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.07 1sql s VAL 93 Cb 0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 36.38 36.18 1sql s VAL 93 CO -0.11 0.02 -0.17 -0.60 0.00 0.00 0.00 175.10 174.24 1sql s ARG 94 N 0.34 3.23 -0.11 2.72 3.52 -0.30 -0.87 118.95 127.47 1sql s ARG 94 Ca -0.02 -0.76 0.03 0.00 -0.13 0.00 0.00 55.73 54.85 1sql s ARG 94 Cb -0.03 -2.56 0.00 0.00 -1.56 0.00 0.00 34.95 30.80 1sql s ARG 94 CO -0.01 0.10 -0.23 0.08 -0.81 0.00 0.00 175.30 174.43 1sql s VAL 95 N 0.59 2.09 -0.29 7.11 1.01 -0.39 -1.41 120.40 129.11 1sql s VAL 95 Ca -0.10 -1.00 -0.00 0.00 0.00 0.00 0.00 61.98 60.89 1sql s VAL 95 Cb -0.16 -1.81 0.06 0.00 0.00 0.00 0.00 36.38 34.47 1sql s VAL 95 CO 0.03 0.56 -0.03 -0.54 0.00 0.00 0.00 175.10 175.12 1sql s LYS 96 N 0.49 2.33 -0.20 2.72 1.02 -0.39 -1.74 119.74 123.97 1sql s LYS 96 Ca -0.15 -1.33 -0.01 0.00 0.02 0.00 0.00 55.97 54.50 1sql s LYS 96 Cb -0.17 -3.09 0.01 0.00 -0.52 0.00 0.00 37.83 34.05 1sql s LYS 96 CO 0.06 -0.62 -0.12 -1.17 -0.92 0.00 0.00 175.35 172.57 1sql s LEU 97 N 1.19 2.50 0.16 3.17 2.96 -0.79 -0.81 118.68 127.06 1sql s LEU 97 Ca -0.06 -0.53 0.07 0.00 -0.22 0.00 0.00 54.13 53.39 1sql s LEU 97 Cb -0.20 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 1sql s LEU 97 CO -0.03 -0.01 -0.15 -0.44 -1.32 0.00 0.00 176.35 174.40 1sql s SER 98 N 1.38 2.34 -0.34 3.68 0.01 0.14 -1.27 113.70 119.64 1sql s SER 98 Ca 0.05 -0.91 -0.07 0.00 1.31 0.00 0.00 55.95 56.34 1sql s SER 98 Cb -0.14 -0.11 0.04 0.00 0.21 0.00 0.00 66.02 66.02 1sql s SER 98 CO -0.08 -0.14 0.11 -0.54 0.41 0.00 0.00 173.24 172.99 1sql s LYS 99 N -3.12 2.65 0.44 12.44 1.02 0.19 0.09 119.74 133.45 1sql s LYS 99 Ca 0.16 -1.16 0.24 0.00 0.02 0.00 0.00 55.97 55.23 1sql s LYS 99 Cb -0.03 -3.47 0.89 0.00 -0.52 0.00 0.00 37.83 34.70 1sql s LYS 99 CO 0.05 -0.66 1.81 -1.35 -0.92 0.00 0.00 175.35 174.28 1sql h PRO 100 N 8.23 0.00 -3.74 -1.68 0.11 -1.80 -2.93 132.00 130.18 1sql h PRO 100 Ca -0.24 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.25 1sql h PRO 100 Cb 1.08 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.79 1sql h PRO 100 CO 0.60 0.21 -0.72 -0.80 -0.21 0.00 0.00 178.00 177.09 1sql s ASN 101 N -6.16 4.21 -0.26 -2.05 0.01 -1.26 -4.66 114.94 104.78 1sql s ASN 101 Ca 0.01 -2.25 -0.20 0.00 -0.71 0.00 0.00 52.86 49.72 1sql s ASN 101 Cb 0.10 -1.26 -0.02 0.00 0.41 0.00 0.00 41.25 40.47 1sql s ASN 101 CO 0.64 -0.34 0.60 -0.69 -1.51 0.00 0.00 177.10 175.80 1sql s VAL 102 N 0.80 5.00 0.35 1.60 1.01 -1.26 -4.97 120.40 122.93 1sql s VAL 102 Ca 0.13 1.07 -0.28 0.00 0.00 0.00 0.00 61.98 62.90 1sql s VAL 102 Cb -0.21 -3.91 -0.12 0.00 0.00 0.00 0.00 36.38 32.14 1sql s VAL 102 CO -0.10 0.04 1.30 0.00 0.00 0.00 0.00 175.10 176.34 1sql n ALA 103 N 5.67 1.36 -0.39 5.51 0.00 -1.26 -2.50 120.51 128.90 1sql n ALA 103 Ca -0.01 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1sql n ALA 103 Cb 0.49 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.68 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 0.70 0.20 -4.62 0.00 7.99 -1.26 -4.97 117.00 115.04 1sql n LEU 104 Ca 0.05 0.00 -0.43 0.00 -0.01 0.00 0.00 56.01 55.62 1sql n LEU 104 Cb 0.37 -0.40 -0.03 0.00 -0.11 0.00 0.00 43.42 43.24 1sql n LEU 104 CO 0.62 -0.10 0.87 -0.63 -1.51 0.00 0.00 177.39 176.64 1sql s ILE 105 N -2.48 4.50 -1.09 -0.08 1.09 -1.04 -4.91 121.20 117.18 1sql s ILE 105 Ca 0.00 1.39 0.29 0.00 -1.10 0.00 0.00 60.65 61.23 1sql s ILE 105 Cb 0.00 -4.41 0.28 0.00 -1.06 0.00 0.00 42.46 37.27 1sql s ILE 105 CO 0.00 -0.59 1.92 0.29 -0.10 0.00 0.00 174.94 176.45 1sql n LYS 106 N 6.98 0.09 -4.19 2.79 5.02 -1.26 -4.87 118.16 122.72 1sql n LYS 106 Ca 0.10 -0.01 -0.23 0.00 -2.02 0.00 0.00 58.31 56.14 1sql n LYS 106 Cb 0.48 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.92 1sql n LYS 106 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1sql s SER 107 N -2.91 4.53 0.37 4.39 1.04 -1.26 -5.12 113.70 114.75 1sql s SER 107 Ca 0.17 -0.81 -0.24 0.00 0.48 0.00 0.00 55.95 55.55 1sql s SER 107 Cb 0.19 -0.70 -0.10 0.00 0.10 0.00 0.00 66.02 65.51 1sql s SER 107 CO 0.53 -0.24 0.97 0.42 0.98 0.00 0.00 173.24 175.90 1sql s THR 108 N -2.43 4.17 0.30 2.02 -4.23 -1.26 -5.06 115.64 109.14 1sql s THR 108 Ca 0.36 1.62 -0.05 0.00 -1.18 0.00 0.00 61.69 62.44 1sql s THR 108 Cb -0.02 -3.81 -0.00 0.00 1.34 0.00 0.00 72.50 70.00 1sql s THR 108 CO 0.21 -0.03 0.43 0.27 -0.54 0.00 0.00 174.62 174.96 1sql s ILE 109 N -1.81 0.00 -0.18 2.99 -4.36 -1.26 -5.08 121.20 111.51 1sql s ILE 109 Ca 0.56 -1.60 -0.16 0.00 -0.26 0.00 0.00 60.65 59.19 1sql s ILE 109 Cb -0.16 -2.50 -0.12 0.00 1.25 0.00 0.00 42.46 40.94 1sql s ILE 109 CO 0.21 0.00 0.03 0.44 0.24 0.00 0.00 174.94 175.86 1sql h ASP 110 N 2.22 0.00 -4.94 4.36 3.45 -1.96 -3.50 116.42 116.04 1sql h ASP 110 Ca -0.29 -0.27 0.31 0.00 0.43 0.00 0.00 57.03 57.22 1sql h ASP 110 Cb 1.24 0.00 -0.16 0.00 -0.56 0.00 0.00 39.33 39.85 1sql h ASP 110 CO 0.40 1.14 0.88 -0.72 -1.57 0.00 0.00 179.24 179.37 1sql s TYR 111 N -2.30 -0.06 -0.05 4.55 -0.85 -1.26 -4.56 117.35 112.82 1sql s TYR 111 Ca -0.22 0.01 0.03 0.00 -0.52 0.00 0.00 57.07 56.36 1sql s TYR 111 Cb 0.04 0.52 0.01 0.00 0.38 0.00 0.00 41.96 42.91 1sql s TYR 111 CO 0.41 -0.16 -0.12 -0.51 -1.52 0.00 0.00 175.55 173.65 1sql s LEU 112 N -2.52 1.73 0.00 -3.49 1.43 -1.11 -4.97 118.68 109.76 1sql s LEU 112 Ca 0.12 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1sql s LEU 112 Cb 0.02 -0.77 0.00 0.00 0.03 0.00 0.00 46.19 45.47 1sql s LEU 112 CO -0.04 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.21 1sql n GLY 113 N 3.53 1.74 3.45 -3.19 0.00 -1.26 -0.64 105.19 108.83 1sql n GLY 113 Ca -0.21 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.70 2.28 -0.27 1.61 -7.23 -0.40 -4.98 120.40 108.72 1sql s VAL 114 Ca 0.00 -2.34 -0.02 0.00 -1.81 0.00 0.00 61.98 57.81 1sql s VAL 114 Cb 0.00 -2.30 0.12 0.00 0.56 0.00 0.00 36.38 34.76 1sql s VAL 114 CO 0.00 -0.41 0.27 -0.62 -0.31 0.00 0.00 175.10 174.04 1sql s ASP 115 N -3.48 1.61 0.07 4.85 -1.08 -1.26 -1.88 116.67 115.50 1sql s ASP 115 Ca 0.29 -0.59 0.09 0.00 -0.52 0.00 0.00 52.55 51.82 1sql s ASP 115 Cb -0.03 0.47 -0.03 0.00 -1.46 0.00 0.00 42.92 41.87 1sql s ASP 115 CO 0.14 -0.37 -0.24 0.27 0.52 0.00 0.00 175.17 175.49 1sql s ILE 116 N 2.35 2.40 -0.12 4.11 -0.00 -0.71 -4.98 121.20 124.24 1sql s ILE 116 Ca 0.09 -1.45 0.00 0.00 -0.00 0.00 0.00 60.65 59.30 1sql s ILE 116 Cb -0.15 -2.00 -0.01 0.00 -0.00 0.00 0.00 42.46 40.30 1sql s ILE 116 CO -0.27 0.26 -0.14 0.12 -0.00 0.00 0.00 174.94 174.91 1sql s PHE 117 N -0.93 2.78 -0.04 1.37 5.36 -1.26 -1.26 117.98 124.00 1sql s PHE 117 Ca 0.14 -0.68 -0.01 0.00 -0.96 0.00 0.00 56.93 55.41 1sql s PHE 117 Cb -0.10 -1.82 0.03 0.00 -0.34 0.00 0.00 43.02 40.78 1sql s PHE 117 CO 0.05 -0.23 0.03 1.03 -1.46 0.00 0.00 175.22 174.64 1sql s ARG 118 N 0.33 0.08 0.29 10.12 1.81 -0.05 -5.01 118.95 126.52 1sql s ARG 118 Ca -0.12 0.24 0.11 0.00 -1.72 0.00 0.00 55.73 54.24 1sql s ARG 118 Cb -0.16 -0.48 -0.05 0.00 -0.45 0.00 0.00 34.95 33.80 1sql s ARG 118 CO 0.06 -0.24 -0.16 1.14 -0.68 0.00 0.00 175.30 175.42 1sql s GLN 119 N 1.61 1.67 0.09 3.54 -2.07 -1.26 -0.31 119.66 122.93 1sql s GLN 119 Ca -0.02 -1.79 -0.36 0.00 -1.82 0.00 0.00 55.36 51.37 1sql s GLN 119 Cb -0.13 -1.65 -0.18 0.00 -1.09 0.00 0.00 33.01 29.97 1sql s GLN 119 CO -0.03 0.25 1.05 -2.13 -1.32 0.00 0.00 175.29 173.11 1sql n ARG 120 N -0.63 0.49 0.00 9.60 3.00 -0.06 -4.89 116.66 124.17 1sql n ARG 120 Ca -0.05 0.18 0.00 0.00 -0.00 0.00 0.00 57.85 57.97 1sql n ARG 120 Cb 0.61 -1.62 0.00 0.00 0.00 0.00 0.00 32.46 31.45 1sql n ARG 120 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1sql n ASN 121 N 1.88 0.15 -3.61 6.15 5.03 -1.26 -5.07 115.26 118.53 1sql n ASN 121 Ca 0.18 -0.97 -0.03 0.00 0.87 0.00 0.00 54.58 54.63 1sql n ASN 121 Cb 0.17 0.01 -0.02 0.00 -1.02 0.00 0.00 39.78 38.92 1sql n ASN 121 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1sql s THR 122 N -0.01 0.00 0.00 3.41 -1.32 -1.26 -5.31 115.64 111.16 1sql s THR 122 Ca 0.00 -0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.45 1sql s THR 122 Cb 0.00 -1.13 0.00 0.00 -1.51 0.00 0.00 72.50 69.86 1sql s THR 122 CO 0.00 0.00 0.00 -1.20 -2.21 0.00 0.00 174.62 171.21