#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xeb s ASP 4 N 0.00 6.99 0.20 1.96 -0.00 -0.17 -4.88 116.67 120.76 1xeb s ASP 4 Ca 0.00 1.18 0.07 0.00 -0.00 0.00 0.00 52.55 53.80 1xeb s ASP 4 Cb 0.00 -2.38 -0.04 0.00 -0.00 0.00 0.00 42.92 40.50 1xeb s ASP 4 CO 0.00 0.06 0.03 0.26 -0.00 0.00 0.00 175.17 175.52 1xeb s TRP 5 N -0.01 2.87 -0.28 4.23 0.52 -1.26 -0.37 118.94 124.63 1xeb s TRP 5 Ca 0.32 -0.14 -0.17 0.00 0.02 0.00 0.00 56.10 56.13 1xeb s TRP 5 Cb -0.18 -1.36 0.11 0.00 -1.15 0.00 0.00 33.47 30.89 1xeb s TRP 5 CO 0.18 0.54 0.84 0.95 0.02 0.00 0.00 176.95 179.47 1xeb s THR 6 N -1.87 0.00 -0.52 2.01 -4.23 -1.26 -4.99 115.64 104.78 1xeb s THR 6 Ca 0.29 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.79 1xeb s THR 6 Cb -0.09 -1.00 0.13 0.00 1.34 0.00 0.00 72.50 72.89 1xeb s THR 6 CO 0.20 0.00 0.30 0.00 -0.54 0.00 0.00 174.62 174.58 1xeb s LYS 8 N 0.29 3.51 0.06 0.00 1.02 -0.25 -4.80 119.74 119.58 1xeb s LYS 8 Ca 0.14 -0.25 -0.30 0.00 0.02 0.00 0.00 55.97 55.58 1xeb s LYS 8 Cb -0.22 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 1xeb s LYS 8 CO -0.03 0.60 0.98 -1.58 -0.92 0.00 0.00 175.35 174.40 1xeb s HIS 9 N -1.45 3.72 0.59 3.18 5.65 -1.26 0.10 115.29 125.82 1xeb s HIS 9 Ca 0.33 1.73 0.33 0.00 0.25 0.00 0.00 55.06 57.70 1xeb s HIS 9 Cb -0.13 -3.10 1.29 0.00 -1.18 0.00 0.00 32.58 29.46 1xeb s HIS 9 CO 0.22 0.04 1.55 1.12 -0.65 0.00 0.00 174.74 177.03 1xeb h HIS 10 N 6.19 0.00 0.00 3.88 2.07 -1.77 0.52 115.15 126.04 1xeb h HIS 10 Ca -0.42 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.10 1xeb h HIS 10 Cb 1.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.20 1xeb h HIS 10 CO 0.66 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 175.52 1xeb h ALA 11 N 0.94 1.00 -0.02 6.11 0.00 -1.91 -3.15 119.26 122.24 1xeb h ALA 11 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1xeb h ALA 11 Cb 2.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.40 1xeb h ALA 11 CO -0.01 0.00 -0.35 -0.25 0.00 0.00 0.00 179.25 178.65 1xeb n ASP 12 N -3.06 1.93 -4.74 0.00 8.00 0.18 -4.98 116.55 113.89 1xeb n ASP 12 Ca 0.02 -1.45 -0.35 0.00 0.71 0.00 0.00 54.79 53.71 1xeb n ASP 12 Cb 0.36 0.32 0.06 0.00 -0.02 0.00 0.00 41.12 41.84 1xeb n ASP 12 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xeb s LEU 13 N -2.40 3.49 0.33 0.64 1.43 -1.19 -4.99 118.68 115.99 1xeb s LEU 13 Ca 0.22 2.34 0.06 0.00 -1.03 0.00 0.00 54.13 55.72 1xeb s LEU 13 Cb 0.19 -4.59 -0.01 0.00 0.03 0.00 0.00 46.19 41.81 1xeb s LEU 13 CO 0.51 -1.87 0.46 0.42 0.23 0.00 0.00 176.35 176.11 1xeb s THR 14 N -1.82 4.20 0.20 5.49 -4.23 -1.26 -4.95 115.64 113.27 1xeb s THR 14 Ca 0.75 -0.98 -0.10 0.00 -1.18 0.00 0.00 61.69 60.18 1xeb s THR 14 Cb -0.29 -3.46 0.13 0.00 1.34 0.00 0.00 72.50 70.22 1xeb s THR 14 CO 0.39 -0.18 1.81 -0.07 -0.54 0.00 0.00 174.62 176.03 1xeb h LEU 15 N 0.91 0.55 -0.73 4.79 3.38 -1.99 -1.62 115.31 120.60 1xeb h LEU 15 Ca -0.46 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.47 1xeb h LEU 15 Cb 1.25 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 1xeb h LEU 15 CO 0.54 0.36 0.23 0.07 0.09 0.00 0.00 178.44 179.73 1xeb h LYS 16 N 0.68 1.13 0.14 1.13 5.09 -1.98 0.10 116.57 122.87 1xeb h LYS 16 Ca 0.28 -0.25 -0.01 0.00 0.09 0.00 0.00 60.65 60.77 1xeb h LYS 16 Cb 0.15 -0.16 0.00 0.00 0.10 0.00 0.00 32.23 32.31 1xeb h LYS 16 CO -0.16 0.97 -0.06 0.93 -2.09 0.00 0.00 179.45 179.03 1xeb h GLU 17 N 1.08 -0.17 -0.50 0.07 5.08 -1.81 0.28 114.58 118.60 1xeb h GLU 17 Ca 0.24 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.66 1xeb h GLU 17 Cb 0.31 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 1xeb h GLU 17 CO -0.01 -0.06 0.22 1.25 -1.00 0.00 0.00 179.01 179.42 1xeb h LEU 18 N -0.25 0.28 0.02 1.33 6.46 -1.18 -0.27 115.31 121.70 1xeb h LEU 18 Ca -0.02 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1xeb h LEU 18 Cb 0.20 -0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.13 1xeb h LEU 18 CO 0.03 0.20 -0.01 0.22 -0.62 0.00 0.00 178.44 178.25 1xeb h TYR 19 N 0.43 -0.04 -0.74 1.25 5.03 -0.44 -1.84 116.97 120.63 1xeb h TYR 19 Ca 0.23 -0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.59 1xeb h TYR 19 Cb 0.19 0.01 -0.05 0.00 1.55 0.00 0.00 36.73 38.43 1xeb h TYR 19 CO -0.13 -0.02 0.45 0.00 -1.32 0.00 0.00 178.16 177.14 1xeb h ALA 20 N 0.94 1.00 -0.31 1.82 0.00 0.08 -0.02 119.26 122.77 1xeb h ALA 20 Ca -0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1xeb h ALA 20 Cb 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1xeb h ALA 20 CO 0.00 0.19 -0.15 1.37 0.00 0.00 0.00 179.25 180.67 1xeb h LEU 21 N 0.85 0.66 -1.37 0.00 8.10 -0.87 -0.06 115.31 122.63 1xeb h LEU 21 Ca 0.32 -0.41 -0.07 0.00 0.11 0.00 0.00 57.88 57.83 1xeb h LEU 21 Cb 0.11 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 40.14 1xeb h LEU 21 CO -0.15 0.92 -0.30 -0.07 -4.11 0.00 0.00 178.44 174.73 1xeb h LEU 22 N 0.40 0.02 -0.31 0.17 3.38 -1.08 -1.19 115.31 116.70 1xeb h LEU 22 Ca 0.07 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1xeb h LEU 22 Cb 0.67 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1xeb h LEU 22 CO 0.04 0.33 -0.24 -0.61 0.09 0.00 0.00 178.44 178.05 1xeb h GLN 23 N 0.02 0.72 -0.33 1.13 -0.00 -0.70 -2.26 115.11 113.69 1xeb h GLN 23 Ca 0.00 -0.35 -0.02 0.00 -0.00 0.00 0.00 58.65 58.28 1xeb h GLN 23 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.01 1xeb h GLN 23 CO 0.04 0.96 0.14 1.25 0.00 0.00 0.00 178.83 181.23 1xeb h LEU 24 N 0.47 0.45 -0.72 -2.39 5.85 -0.49 -1.57 115.31 116.92 1xeb h LEU 24 Ca 0.06 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1xeb h LEU 24 Cb 0.80 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 1xeb h LEU 24 CO 0.06 0.47 0.37 0.03 -0.34 0.00 0.00 178.44 179.04 1xeb h ARG 25 N 0.39 1.02 -0.42 1.25 3.08 -1.22 -2.34 114.38 116.14 1xeb h ARG 25 Ca 0.11 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 1xeb h ARG 25 Cb 0.16 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1xeb h ARG 25 CO -0.01 0.78 -0.06 1.15 -1.07 0.00 0.00 179.97 180.76 1xeb h THR 26 N 1.00 1.27 -0.70 2.04 2.02 -1.32 0.73 112.91 117.95 1xeb h THR 26 Ca 0.25 -1.14 0.08 0.00 0.77 0.00 0.00 66.41 66.37 1xeb h THR 26 Cb 0.08 1.15 -0.06 0.00 -1.74 0.00 0.00 68.15 67.57 1xeb h THR 26 CO -0.04 0.39 0.37 -0.08 0.37 0.00 0.00 175.52 176.53 1xeb h GLU 27 N 0.62 0.64 0.00 6.66 4.81 -1.04 0.65 114.58 126.92 1xeb h GLU 27 Ca 0.11 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1xeb h GLU 27 Cb 0.58 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1xeb h GLU 27 CO 0.03 0.42 -0.53 0.28 -0.73 0.00 0.00 179.01 178.48 1xeb n VAL 28 N -4.82 1.41 0.04 0.32 0.31 -0.90 -0.83 118.33 113.86 1xeb n VAL 28 Ca 0.10 0.22 -0.05 0.00 -0.01 0.00 0.00 64.34 64.60 1xeb n VAL 28 Cb 0.22 -2.38 0.15 0.00 -0.91 0.00 0.00 33.84 30.92 1xeb n VAL 28 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1xeb h PHE 29 N -0.99 0.48 0.00 3.52 -1.00 0.36 -1.97 116.94 117.34 1xeb h PHE 29 Ca 0.00 -0.14 0.00 0.00 2.81 0.00 0.00 57.97 60.64 1xeb h PHE 29 Cb 0.53 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 39.99 1xeb h PHE 29 CO -0.23 0.76 -0.22 0.28 -1.61 0.00 0.00 178.31 177.30 1xeb n VAL 30 N -4.01 0.60 0.00 -0.55 0.31 -0.28 -3.83 118.33 110.56 1xeb n VAL 30 Ca -0.02 0.38 0.00 0.00 -0.01 0.00 0.00 64.34 64.69 1xeb n VAL 30 Cb 0.51 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 1xeb n VAL 30 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1xeb n VAL 31 N -3.25 0.00 0.33 2.52 0.31 0.21 -0.96 118.33 117.50 1xeb n VAL 31 Ca -0.03 0.89 0.18 0.00 -0.01 0.00 0.00 64.34 65.36 1xeb n VAL 31 Cb 0.11 -1.77 0.95 0.00 -0.91 0.00 0.00 33.84 32.23 1xeb n VAL 31 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1xeb h GLU 32 N 0.00 0.00 -0.03 5.55 4.11 -1.02 0.34 114.58 123.54 1xeb h GLU 32 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1xeb h GLU 32 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xeb h GLU 32 CO 0.00 0.00 -0.03 1.04 0.07 0.00 0.00 179.01 180.09 1xeb n GLN 33 N -2.99 2.11 -3.78 1.06 6.02 -0.74 -4.99 117.38 114.06 1xeb n GLN 33 Ca -0.02 -1.80 -0.28 0.00 -0.01 0.00 0.00 57.00 54.89 1xeb n GLN 33 Cb 0.28 -1.44 0.02 0.00 1.02 0.00 0.00 30.24 30.12 1xeb n GLN 33 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1xeb n LYS 34 N 1.19 -2.43 -3.80 -1.09 5.02 0.12 -4.96 118.16 112.21 1xeb n LYS 34 Ca 0.13 0.46 -0.30 0.00 -2.02 0.00 0.00 58.31 56.58 1xeb n LYS 34 Cb 0.56 -4.40 -0.14 0.00 -0.02 0.00 0.00 35.03 31.04 1xeb n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xeb n PRO 36 N 3.53 1.46 -4.41 0.00 -0.04 -1.26 -4.46 135.00 129.82 1xeb n PRO 36 Ca 0.06 -1.72 -0.28 0.00 -0.04 0.00 0.00 63.50 61.53 1xeb n PRO 36 Cb 0.35 -2.82 -0.08 0.00 -0.04 0.00 0.00 33.50 30.90 1xeb n PRO 36 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1xeb s TYR 37 N 4.92 2.37 -1.10 0.54 1.13 -1.26 -5.06 117.35 118.89 1xeb s TYR 37 Ca 0.55 -0.70 -0.22 0.00 -1.41 0.00 0.00 57.07 55.29 1xeb s TYR 37 Cb 0.14 -1.83 0.04 0.00 -1.10 0.00 0.00 41.96 39.21 1xeb s TYR 37 CO 0.11 0.24 1.63 -1.14 -2.51 0.00 0.00 175.55 173.88 1xeb s GLN 38 N -3.86 3.52 0.31 -3.49 2.00 -1.26 -4.81 119.66 112.08 1xeb s GLN 38 Ca 0.32 -1.29 0.01 0.00 -2.00 0.00 0.00 55.36 52.39 1xeb s GLN 38 Cb 0.05 -5.37 0.55 0.00 0.80 0.00 0.00 33.01 29.04 1xeb s GLN 38 CO 0.17 -2.48 1.94 1.49 -0.50 0.00 0.00 175.29 175.91 1xeb h GLU 39 N 9.29 0.97 -5.38 1.67 4.57 -1.97 -3.27 114.58 120.47 1xeb h GLU 39 Ca 0.26 -0.06 -0.68 0.00 -1.18 0.00 0.00 59.36 57.70 1xeb h GLU 39 Cb 0.96 -0.22 -0.14 0.00 -0.16 0.00 0.00 28.75 29.20 1xeb h GLU 39 CO 1.40 0.64 1.45 0.08 -1.18 0.00 0.00 179.01 181.40 1xeb s VAL 40 N -5.86 4.50 -1.79 0.32 1.01 -1.26 -4.84 120.40 112.47 1xeb s VAL 40 Ca -0.11 -1.78 0.29 0.00 0.00 0.00 0.00 61.98 60.37 1xeb s VAL 40 Cb 0.19 -4.98 0.47 0.00 0.00 0.00 0.00 36.38 32.07 1xeb s VAL 40 CO 0.79 -1.75 1.83 -0.90 0.00 0.00 0.00 175.10 175.07 1xeb n ASP 41 N 7.23 0.64 0.00 3.32 3.85 -1.24 -4.93 116.55 125.42 1xeb n ASP 41 Ca 0.35 -0.77 0.00 0.00 -0.71 0.00 0.00 54.79 53.67 1xeb n ASP 41 Cb 0.47 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 40.21 1xeb n ASP 41 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xeb n GLY 42 N 1.25 0.84 0.75 6.12 0.00 -1.26 -4.88 105.19 108.00 1xeb n GLY 42 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 1xeb n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xeb n LEU 43 N 0.00 2.22 0.08 0.99 4.77 -1.26 -4.40 117.00 119.40 1xeb n LEU 43 Ca 0.00 -0.98 -0.23 0.00 -0.03 0.00 0.00 56.01 54.77 1xeb n LEU 43 Cb 0.00 -0.18 -0.15 0.00 -2.33 0.00 0.00 43.42 40.76 1xeb n LEU 43 CO 0.00 0.49 -0.46 0.44 -1.33 0.00 0.00 177.39 176.53 1xeb h ASP 44 N 2.79 0.64 -1.38 -1.43 3.45 -1.99 -3.40 116.42 115.09 1xeb h ASP 44 Ca 0.00 -0.93 -0.60 0.00 0.43 0.00 0.00 57.03 55.93 1xeb h ASP 44 Cb 0.62 -0.21 -0.40 0.00 -0.56 0.00 0.00 39.33 38.78 1xeb h ASP 44 CO 0.00 1.75 -0.49 0.18 -1.57 0.00 0.00 179.24 179.11 1xeb n LEU 45 N -3.67 5.19 -4.30 1.55 4.77 -1.26 -4.73 117.00 114.55 1xeb n LEU 45 Ca -0.23 -5.04 -0.16 0.00 -0.03 0.00 0.00 56.01 50.55 1xeb n LEU 45 Cb 1.06 -0.52 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 1xeb n LEU 45 CO 0.52 2.13 -0.31 0.68 -1.33 0.00 0.00 177.39 179.08 1xeb s VAL 46 N -5.26 0.79 0.00 4.08 -7.23 -1.26 -5.04 120.40 106.48 1xeb s VAL 46 Ca 0.50 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 1xeb s VAL 46 Cb 0.41 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 35.00 1xeb s VAL 46 CO -0.16 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 174.96 1xeb n GLY 47 N -0.38 2.91 0.88 2.32 0.00 -1.26 -2.50 105.19 107.17 1xeb n GLY 47 Ca -0.04 0.16 0.05 0.00 0.00 0.00 0.00 46.02 46.19 1xeb n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xeb n ASP 48 N 3.68 1.39 -4.70 1.61 8.00 -1.26 -5.01 116.55 120.27 1xeb n ASP 48 Ca 0.00 -3.02 -0.43 0.00 0.71 0.00 0.00 54.79 52.05 1xeb n ASP 48 Cb 0.00 -0.42 -0.02 0.00 -0.02 0.00 0.00 41.12 40.67 1xeb n ASP 48 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1xeb n THR 49 N -0.48 1.40 -4.28 -3.53 -2.24 -1.04 -4.55 114.28 99.55 1xeb n THR 49 Ca 0.13 -0.35 -0.23 0.00 -2.27 0.00 0.00 64.05 61.33 1xeb n THR 49 Cb 0.85 -1.62 -0.07 0.00 -2.10 0.00 0.00 70.33 67.39 1xeb n THR 49 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1xeb s HIS 50 N -0.48 2.66 -0.21 4.78 3.76 0.87 -2.49 115.29 124.18 1xeb s HIS 50 Ca 0.62 -0.28 0.00 0.00 -0.15 0.00 0.00 55.06 55.26 1xeb s HIS 50 Cb -0.58 -1.29 0.05 0.00 1.11 0.00 0.00 32.58 31.87 1xeb s HIS 50 CO 0.55 0.57 -0.06 -1.01 -0.85 0.00 0.00 174.74 173.93 1xeb s HIS 51 N -2.37 2.24 0.40 1.40 3.76 0.28 -1.56 115.29 119.44 1xeb s HIS 51 Ca 0.33 -1.57 -0.06 0.00 -0.15 0.00 0.00 55.06 53.60 1xeb s HIS 51 Cb -0.05 -1.53 -0.05 0.00 1.11 0.00 0.00 32.58 32.06 1xeb s HIS 51 CO 0.20 -0.74 0.71 -1.17 -0.85 0.00 0.00 174.74 172.90 1xeb s LEU 52 N 1.45 3.82 -0.30 0.89 2.96 -0.29 -1.09 118.68 126.12 1xeb s LEU 52 Ca -0.03 0.92 -0.15 0.00 -0.22 0.00 0.00 54.13 54.64 1xeb s LEU 52 Cb -0.18 -3.81 0.17 0.00 0.50 0.00 0.00 46.19 42.87 1xeb s LEU 52 CO -0.07 -0.41 1.02 0.00 -1.32 0.00 0.00 176.35 175.57 1xeb s ALA 54 N -2.44 -2.77 0.21 5.97 0.00 -0.51 -1.56 121.76 120.66 1xeb s ALA 54 Ca 0.47 2.02 0.09 0.00 0.00 0.00 0.00 51.96 54.55 1xeb s ALA 54 Cb -0.10 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 1xeb s ALA 54 CO 0.36 -0.96 -0.08 -1.58 0.00 0.00 0.00 175.76 173.50 1xeb s TRP 55 N 2.41 2.62 -0.30 0.00 0.52 0.50 -0.99 118.94 123.70 1xeb s TRP 55 Ca -0.02 -0.23 -0.14 0.00 0.02 0.00 0.00 56.10 55.72 1xeb s TRP 55 Cb -0.06 -1.23 0.15 0.00 -1.15 0.00 0.00 33.47 31.18 1xeb s TRP 55 CO -0.17 0.56 0.91 0.50 0.02 0.00 0.00 176.95 178.76 1xeb s ARG 56 N -3.11 0.39 -1.28 4.98 3.52 -0.58 -0.99 118.95 121.88 1xeb s ARG 56 Ca 0.27 0.87 0.00 0.00 -0.13 0.00 0.00 55.73 56.74 1xeb s ARG 56 Cb -0.08 0.42 0.00 0.00 -1.56 0.00 0.00 34.95 33.73 1xeb s ARG 56 CO 0.16 -0.12 0.00 -3.47 -0.81 0.00 0.00 175.30 171.07 1xeb n ASP 57 N 4.73 -4.50 -0.54 -2.12 2.03 -1.26 -2.03 116.55 112.86 1xeb n ASP 57 Ca -0.12 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.12 1xeb n ASP 57 Cb 0.53 -3.63 -0.03 0.00 -0.72 0.00 0.00 41.12 37.27 1xeb n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xeb n GLY 58 N -1.02 0.86 3.27 0.27 0.00 -1.26 -5.02 105.19 102.29 1xeb n GLY 58 Ca -0.17 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 1xeb n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xeb s GLN 59 N -2.69 1.76 -0.43 1.61 -1.52 -0.86 -5.09 119.66 112.44 1xeb s GLN 59 Ca 0.00 -0.89 -0.25 0.00 -1.95 0.00 0.00 55.36 52.28 1xeb s GLN 59 Cb 0.00 -1.77 0.02 0.00 -0.22 0.00 0.00 33.01 31.04 1xeb s GLN 59 CO 0.00 0.47 0.87 -1.17 -0.25 0.00 0.00 175.29 175.21 1xeb s LEU 60 N -0.77 4.08 -0.16 2.90 0.20 -1.26 -1.52 118.68 122.14 1xeb s LEU 60 Ca 0.09 0.19 0.16 0.00 0.69 0.00 0.00 54.13 55.26 1xeb s LEU 60 Cb -0.09 -3.13 -0.24 0.00 -0.43 0.00 0.00 46.19 42.30 1xeb s LEU 60 CO 0.00 -0.93 0.22 0.18 -0.29 0.00 0.00 176.35 175.52 1xeb n LEU 61 N 6.87 0.29 -3.83 -0.68 4.77 -0.17 -4.67 117.00 119.58 1xeb n LEU 61 Ca 0.05 0.10 -0.12 0.00 -0.03 0.00 0.00 56.01 56.01 1xeb n LEU 61 Cb 0.48 0.38 -0.10 0.00 -2.33 0.00 0.00 43.42 41.86 1xeb n LEU 61 CO 0.60 0.48 -0.13 0.00 -1.33 0.00 0.00 177.39 177.02 1xeb s ALA 62 N -2.52 -0.45 0.06 -1.18 0.00 -1.20 0.59 121.76 117.06 1xeb s ALA 62 Ca -0.09 0.11 -0.23 0.00 0.00 0.00 0.00 51.96 51.75 1xeb s ALA 62 Cb 0.07 0.00 0.06 0.00 0.00 0.00 0.00 23.12 23.24 1xeb s ALA 62 CO 0.82 -0.19 0.54 -0.47 0.00 0.00 0.00 175.76 176.46 1xeb s TYR 63 N -1.03 -0.46 0.05 0.00 5.04 0.29 -1.43 117.35 119.81 1xeb s TYR 63 Ca -0.11 0.47 -0.27 0.00 -2.44 0.00 0.00 57.07 54.72 1xeb s TYR 63 Cb -0.06 0.38 0.07 0.00 0.35 0.00 0.00 41.96 42.71 1xeb s TYR 63 CO 0.02 -0.68 0.65 -0.48 -1.34 0.00 0.00 175.55 173.72 1xeb s LEU 64 N -2.09 -0.61 -0.05 6.97 0.05 -0.60 -0.53 118.68 121.82 1xeb s LEU 64 Ca -0.04 0.37 0.05 0.00 0.05 0.00 0.00 54.13 54.56 1xeb s LEU 64 Cb -0.00 2.54 -0.02 0.00 -2.05 0.00 0.00 46.19 46.66 1xeb s LEU 64 CO -0.03 -0.77 -0.21 -0.60 -0.55 0.00 0.00 176.35 174.18 1xeb s ARG 65 N -2.41 2.52 -0.24 1.48 3.52 0.11 -1.13 118.95 122.81 1xeb s ARG 65 Ca -0.05 -0.83 -0.02 0.00 -0.13 0.00 0.00 55.73 54.70 1xeb s ARG 65 Cb -0.00 -2.24 0.02 0.00 -1.56 0.00 0.00 34.95 31.17 1xeb s ARG 65 CO -0.01 0.47 -0.07 -0.51 -0.81 0.00 0.00 175.30 174.37 1xeb s LEU 66 N -0.36 3.08 -0.14 -0.88 1.43 -0.60 -0.81 118.68 120.41 1xeb s LEU 66 Ca 0.03 -0.80 -0.14 0.00 -1.03 0.00 0.00 54.13 52.19 1xeb s LEU 66 Cb -0.12 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 1xeb s LEU 66 CO 0.02 -0.11 0.33 -0.76 0.23 0.00 0.00 176.35 176.06 1xeb s LEU 67 N 1.34 4.28 0.62 1.79 1.02 -0.21 -0.09 118.68 127.43 1xeb s LEU 67 Ca 0.01 0.60 -0.17 0.00 0.02 0.00 0.00 54.13 54.60 1xeb s LEU 67 Cb -0.16 -2.43 -0.02 0.00 0.02 0.00 0.00 46.19 43.60 1xeb s LEU 67 CO -0.05 0.12 1.11 1.51 0.02 0.00 0.00 176.35 179.06 1xeb s ASP 68 N 0.27 5.35 0.43 2.29 -4.77 -1.26 -1.60 116.67 117.38 1xeb s ASP 68 Ca 0.19 2.05 0.18 0.00 -3.30 0.00 0.00 52.55 51.67 1xeb s ASP 68 Cb -0.14 -2.56 0.97 0.00 -1.09 0.00 0.00 42.92 40.10 1xeb s ASP 68 CO 0.06 -1.46 1.91 1.55 0.70 0.00 0.00 175.17 177.92 1xeb h PRO 69 N 0.46 0.00 0.00 2.11 0.13 -1.87 -3.19 132.00 129.64 1xeb h PRO 69 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 1xeb h PRO 69 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1xeb h PRO 69 CO 0.55 0.27 -0.20 -0.39 -0.23 0.00 0.00 178.00 178.00 1xeb h VAL 70 N 0.00 0.56 -0.03 1.56 -1.51 -1.94 0.35 116.25 115.25 1xeb h VAL 70 Ca -0.00 -0.97 0.00 0.00 -1.23 0.00 0.00 66.70 64.50 1xeb h VAL 70 Cb 0.56 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 1xeb h VAL 70 CO 0.04 0.20 0.00 0.54 -1.23 0.00 0.00 177.57 177.11 1xeb n ARG 71 N -3.45 2.10 -3.19 5.19 1.74 -1.21 -4.62 116.66 113.21 1xeb n ARG 71 Ca -0.00 -1.83 -0.21 0.00 -0.77 0.00 0.00 57.85 55.04 1xeb n ARG 71 Cb 0.38 -1.43 -0.05 0.00 -1.02 0.00 0.00 32.46 30.35 1xeb n ARG 71 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1xeb n HIS 72 N 1.25 0.14 -3.96 -1.55 8.25 -1.12 -4.98 115.22 113.26 1xeb n HIS 72 Ca 0.13 -3.74 -0.36 0.00 -0.26 0.00 0.00 57.72 53.50 1xeb n HIS 72 Cb 0.56 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.27 1xeb n HIS 72 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1xeb n GLU 73 N 0.68 -1.24 -3.66 -0.41 4.71 -1.24 -2.86 120.64 116.60 1xeb n GLU 73 Ca 0.24 0.26 -0.23 0.00 -0.01 0.00 0.00 57.16 57.42 1xeb n GLU 73 Cb 0.60 -3.57 0.00 0.00 -1.01 0.00 0.00 31.44 27.47 1xeb n GLU 73 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xeb n GLY 74 N -2.01 -1.12 3.63 0.62 0.00 0.12 -4.96 105.19 101.47 1xeb n GLY 74 Ca -0.17 0.51 -0.13 0.00 0.00 0.00 0.00 46.02 46.23 1xeb n GLY 74 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xeb s GLN 75 N -4.76 0.76 0.00 1.61 -0.21 -1.14 -4.80 119.66 111.12 1xeb s GLN 75 Ca 0.03 0.91 -0.26 0.00 0.02 0.00 0.00 55.36 56.06 1xeb s GLN 75 Cb -0.02 0.37 -0.04 0.00 1.00 0.00 0.00 33.01 34.32 1xeb s GLN 75 CO 0.78 -0.09 0.80 0.08 -2.12 0.00 0.00 175.29 174.75 1xeb s VAL 76 N 0.34 4.86 -0.31 1.09 1.01 -0.12 -3.15 120.40 124.13 1xeb s VAL 76 Ca 0.01 1.69 -0.03 0.00 0.00 0.00 0.00 61.98 63.64 1xeb s VAL 76 Cb -0.05 -4.15 0.05 0.00 0.00 0.00 0.00 36.38 32.23 1xeb s VAL 76 CO -0.01 0.28 0.04 -0.69 0.00 0.00 0.00 175.10 174.72 1xeb s VAL 77 N 0.48 3.27 0.10 2.92 1.01 -0.63 0.21 120.40 127.76 1xeb s VAL 77 Ca 0.42 -1.30 -0.23 0.00 0.00 0.00 0.00 61.98 60.87 1xeb s VAL 77 Cb -0.20 -2.87 -0.07 0.00 0.00 0.00 0.00 36.38 33.24 1xeb s VAL 77 CO 0.23 -0.13 0.68 -0.63 0.00 0.00 0.00 175.10 175.25 1xeb s ILE 78 N 1.31 4.61 0.25 2.22 1.01 0.54 -1.04 121.20 130.10 1xeb s ILE 78 Ca -0.04 1.47 -0.21 0.00 0.00 0.00 0.00 60.65 61.88 1xeb s ILE 78 Cb -0.20 -4.03 0.06 0.00 0.01 0.00 0.00 42.46 38.30 1xeb s ILE 78 CO 0.00 0.50 0.90 -0.83 0.00 0.00 0.00 174.94 175.51 1xeb s GLY 79 N -0.85 0.07 -1.37 6.18 0.00 0.01 -4.31 107.32 107.05 1xeb s GLY 79 Ca 0.33 -0.33 -0.03 0.00 0.00 0.00 0.00 44.72 44.69 1xeb s GLY 79 CO 0.22 0.65 0.25 0.54 0.00 0.00 0.00 173.10 174.76 1xeb n ARG 80 N -0.56 -2.99 -1.96 2.90 5.12 -1.26 0.09 116.66 118.00 1xeb n ARG 80 Ca -0.05 0.73 -0.42 0.00 -1.93 0.00 0.00 57.85 56.17 1xeb n ARG 80 Cb 0.60 -5.43 -0.03 0.00 -1.16 0.00 0.00 32.46 26.44 1xeb n ARG 80 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1xeb s VAL 81 N -2.90 2.99 -0.02 1.55 1.01 -1.26 -4.21 120.40 117.57 1xeb s VAL 81 Ca 0.16 0.54 -0.29 0.00 0.00 0.00 0.00 61.98 62.39 1xeb s VAL 81 Cb -0.08 -3.35 0.09 0.00 0.00 0.00 0.00 36.38 33.04 1xeb s VAL 81 CO 0.19 0.01 0.77 0.54 0.00 0.00 0.00 175.10 176.61 1xeb s VAL 82 N 2.13 0.00 0.00 2.92 0.11 0.31 -5.00 120.40 120.88 1xeb s VAL 82 Ca 0.72 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.77 1xeb s VAL 82 Cb -0.40 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.45 1xeb s VAL 82 CO 0.31 0.00 -0.00 -0.94 -3.33 0.00 0.00 175.10 171.14 1xeb s SER 83 N -1.79 0.02 0.46 3.54 1.04 -1.26 -0.55 113.70 115.16 1xeb s SER 83 Ca -0.03 -0.04 -0.23 0.00 0.48 0.00 0.00 55.95 56.13 1xeb s SER 83 Cb -0.01 0.01 -0.10 0.00 0.10 0.00 0.00 66.02 66.03 1xeb s SER 83 CO -0.01 -0.03 0.94 -0.24 0.98 0.00 0.00 173.24 174.89 1xeb n SER 84 N 2.95 0.90 -0.12 7.02 2.88 0.20 -4.84 113.62 122.61 1xeb n SER 84 Ca -0.13 0.97 -0.05 0.00 -1.33 0.00 0.00 58.87 58.34 1xeb n SER 84 Cb 0.60 -1.33 0.02 0.00 -0.75 0.00 0.00 64.21 62.74 1xeb n SER 84 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1xeb h SER 85 N 1.25 -0.39 0.59 -3.46 0.87 -1.98 -2.24 113.55 108.19 1xeb h SER 85 Ca -0.45 0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.20 1xeb h SER 85 Cb 1.35 0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 63.56 1xeb h SER 85 CO 0.55 -0.14 -0.15 0.00 -0.53 0.00 0.00 176.83 176.56 1xeb h ALA 86 N 1.40 1.16 -0.00 6.23 0.00 -1.97 -2.79 119.26 123.28 1xeb h ALA 86 Ca 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xeb h ALA 86 Cb 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1xeb h ALA 86 CO -0.42 0.18 -0.21 0.00 0.00 0.00 0.00 179.25 178.80 1xeb n ALA 87 N -2.24 2.94 -1.39 0.00 0.00 -0.86 -4.95 120.51 114.03 1xeb n ALA 87 Ca -0.01 -0.30 -0.32 0.00 0.00 0.00 0.00 53.44 52.82 1xeb n ALA 87 Cb 0.30 -1.26 0.07 0.00 0.00 0.00 0.00 19.45 18.56 1xeb n ALA 87 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xeb s ARG 88 N -2.65 2.54 0.00 0.00 0.52 -1.06 -3.76 118.95 114.55 1xeb s ARG 88 Ca 0.22 1.20 0.00 0.00 -0.52 0.00 0.00 55.73 56.64 1xeb s ARG 88 Cb 0.19 -1.93 0.00 0.00 0.52 0.00 0.00 34.95 33.73 1xeb s ARG 88 CO 0.54 -1.43 0.00 0.41 0.02 0.00 0.00 175.30 174.84 1xeb n GLY 89 N -1.11 2.39 0.09 -3.53 0.00 -1.26 -4.86 105.19 96.92 1xeb n GLY 89 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 1xeb n GLY 89 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1xeb h GLN 90 N 2.36 0.11 0.00 1.61 4.20 -1.96 -3.47 115.11 117.96 1xeb h GLN 90 Ca 0.00 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1xeb h GLN 90 Cb 0.00 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1xeb h GLN 90 CO 0.00 1.00 0.00 0.41 -0.67 0.00 0.00 178.83 179.57 1xeb n GLY 91 N 1.16 1.27 0.23 3.46 0.00 -1.26 -5.01 105.19 105.04 1xeb n GLY 91 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 1xeb n GLY 91 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xeb h LEU 92 N 0.00 0.16 0.34 0.99 3.38 -1.92 -0.09 115.31 118.19 1xeb h LEU 92 Ca 0.00 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1xeb h LEU 92 Cb 0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1xeb h LEU 92 CO 0.00 0.37 -0.20 1.23 0.09 0.00 0.00 178.44 179.93 1xeb h GLY 93 N 0.79 -0.53 0.92 0.83 0.00 -1.94 0.20 103.07 103.33 1xeb h GLY 93 Ca 0.03 0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.60 1xeb h GLY 93 CO 0.03 -0.20 0.36 0.84 0.00 0.00 0.00 176.54 177.57 1xeb h HIS 94 N -0.51 0.68 0.00 5.60 -0.00 -1.90 -1.98 115.15 117.03 1xeb h HIS 94 Ca -0.04 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.31 1xeb h HIS 94 Cb 0.42 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.60 1xeb h HIS 94 CO -0.08 0.40 -0.18 0.37 -0.00 0.00 0.00 177.93 178.44 1xeb h GLN 95 N 0.72 0.00 -0.54 5.26 5.75 -0.76 -2.11 115.11 123.43 1xeb h GLN 95 Ca 0.23 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.73 1xeb h GLN 95 Cb -0.01 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.54 1xeb h GLN 95 CO -0.08 0.18 0.00 1.28 -2.65 0.00 0.00 178.83 177.55 1xeb n LEU 96 N -3.76 0.54 0.00 -2.39 4.77 0.67 -2.43 117.00 114.40 1xeb n LEU 96 Ca -0.02 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1xeb n LEU 96 Cb 0.28 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1xeb n LEU 96 CO 0.32 0.14 0.00 1.21 -1.33 0.00 0.00 177.39 177.73 1xeb n GLU 98 N -0.05 0.00 0.17 3.23 2.13 -0.79 -0.46 120.64 124.87 1xeb n GLU 98 Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 1xeb n GLU 98 Cb 0.14 0.00 0.29 0.00 0.27 0.00 0.00 31.44 32.14 1xeb n GLU 98 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xeb h ARG 99 N 0.00 0.00 -0.05 5.31 3.08 -1.73 -2.14 114.38 118.85 1xeb h ARG 99 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1xeb h ARG 99 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1xeb h ARG 99 CO 0.00 0.46 -0.16 0.00 -1.07 0.00 0.00 179.97 179.20 1xeb h ALA 100 N 1.54 0.09 -0.74 0.04 0.00 -1.03 -0.07 119.26 119.08 1xeb h ALA 100 Ca -0.00 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.56 1xeb h ALA 100 Cb 0.91 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1xeb h ALA 100 CO 0.06 0.02 0.47 -0.07 0.00 0.00 0.00 179.25 179.73 1xeb h LEU 101 N -0.34 0.78 -0.45 0.00 -0.00 -1.80 0.30 115.31 113.81 1xeb h LEU 101 Ca -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1xeb h LEU 101 Cb 0.79 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 41.25 1xeb h LEU 101 CO 0.03 0.54 0.28 -0.61 -0.00 0.00 0.00 178.44 178.68 1xeb h GLN 102 N 0.92 0.60 -0.94 1.13 4.15 -1.34 0.75 115.11 120.38 1xeb h GLN 102 Ca 0.30 -0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.70 1xeb h GLN 102 Cb 0.01 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 27.51 1xeb h GLN 102 CO -0.11 0.43 0.62 0.00 -1.93 0.00 0.00 178.83 177.84 1xeb h ALA 103 N 1.14 1.24 -0.26 3.38 0.00 0.35 -2.26 119.26 122.85 1xeb h ALA 103 Ca 0.16 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1xeb h ALA 103 Cb -0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1xeb h ALA 103 CO -0.03 0.50 0.06 0.00 0.00 0.00 0.00 179.25 179.77 1xeb h ALA 104 N 1.38 0.35 -0.56 0.00 0.00 0.22 -2.12 119.26 118.53 1xeb h ALA 104 Ca 0.37 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1xeb h ALA 104 Cb -0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1xeb h ALA 104 CO -0.12 0.01 0.28 1.49 0.00 0.00 0.00 179.25 180.91 1xeb h GLU 105 N 0.25 0.51 0.00 0.00 4.81 -0.40 0.24 114.58 120.00 1xeb h GLU 105 Ca 0.08 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1xeb h GLU 105 Cb 0.30 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1xeb h GLU 105 CO 0.00 0.34 -0.26 0.07 -0.73 0.00 0.00 179.01 178.43 1xeb h ARG 106 N 0.53 0.00 0.01 1.92 0.11 -1.37 -1.45 114.38 114.13 1xeb h ARG 106 Ca 0.25 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 60.04 1xeb h ARG 106 Cb 0.17 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.21 1xeb h ARG 106 CO -0.18 0.26 -1.70 -0.07 0.10 0.00 0.00 179.97 178.38 1xeb h LEU 107 N 0.00 0.04 -5.79 0.08 3.38 -1.01 -3.41 115.31 108.60 1xeb h LEU 107 Ca -0.00 -0.09 -0.43 0.00 0.09 0.00 0.00 57.88 57.44 1xeb h LEU 107 Cb 1.13 -0.01 -0.35 0.00 0.09 0.00 0.00 40.66 41.52 1xeb h LEU 107 CO 0.03 1.08 -1.04 0.79 0.09 0.00 0.00 178.44 179.40 1xeb n TRP 108 N -3.10 -0.49 -1.54 1.13 8.01 0.83 -5.08 117.44 117.19 1xeb n TRP 108 Ca -0.17 -3.45 -0.55 0.00 -1.31 0.00 0.00 57.50 52.01 1xeb n TRP 108 Cb 1.05 0.01 -0.07 0.00 -2.01 0.00 0.00 31.31 30.29 1xeb n TRP 108 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.69 176.57 1xeb n LEU 109 N 0.36 0.79 0.00 -0.99 7.94 -0.55 -1.04 117.00 123.51 1xeb n LEU 109 Ca 0.21 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.25 1xeb n LEU 109 Cb 0.66 -1.06 0.00 0.00 0.53 0.00 0.00 43.42 43.55 1xeb n LEU 109 CO 0.17 -1.51 0.00 0.47 -1.11 0.00 0.00 177.39 175.42 1xeb n ASP 110 N 2.00 -2.66 -4.67 1.96 10.43 -1.26 -4.98 116.55 117.37 1xeb n ASP 110 Ca 0.19 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 57.14 1xeb n ASP 110 Cb 0.14 -1.94 -0.04 0.00 1.84 0.00 0.00 41.12 41.11 1xeb n ASP 110 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1xeb s THR 111 N -1.76 4.91 0.61 -3.53 2.01 -0.21 -5.01 115.64 112.67 1xeb s THR 111 Ca 0.00 1.53 -0.18 0.00 0.31 0.00 0.00 61.69 63.35 1xeb s THR 111 Cb 0.00 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 1xeb s THR 111 CO 0.00 0.04 0.99 -0.81 -0.69 0.00 0.00 174.62 174.15 1xeb n PRO 112 N 5.26 0.88 -4.59 4.92 -0.04 -1.24 -4.63 135.00 135.56 1xeb n PRO 112 Ca 0.03 0.35 -0.33 0.00 -0.04 0.00 0.00 63.50 63.50 1xeb n PRO 112 Cb 0.49 -2.20 -0.12 0.00 -0.04 0.00 0.00 33.50 31.62 1xeb n PRO 112 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1xeb s VAL 113 N -1.51 3.59 0.12 0.52 1.01 -0.52 -0.94 120.40 122.67 1xeb s VAL 113 Ca 0.77 -0.49 0.10 0.00 0.00 0.00 0.00 61.98 62.37 1xeb s VAL 113 Cb -0.41 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1xeb s VAL 113 CO 0.46 0.54 -0.25 -0.47 0.00 0.00 0.00 175.10 175.37 1xeb s TYR 114 N -0.08 2.18 -0.01 5.22 6.14 0.57 -1.71 117.35 129.66 1xeb s TYR 114 Ca 0.00 -0.39 -0.20 0.00 0.64 0.00 0.00 57.07 57.12 1xeb s TYR 114 Cb -0.13 -1.19 0.04 0.00 0.42 0.00 0.00 41.96 41.10 1xeb s TYR 114 CO 0.03 0.30 0.44 -0.48 0.64 0.00 0.00 175.55 176.47 1xeb s LEU 115 N -1.98 0.32 -0.59 6.97 0.05 -1.26 -0.34 118.68 121.86 1xeb s LEU 115 Ca 0.12 0.24 -0.13 0.00 0.05 0.00 0.00 54.13 54.41 1xeb s LEU 115 Cb -0.10 1.73 0.15 0.00 -2.05 0.00 0.00 46.19 45.92 1xeb s LEU 115 CO 0.05 -0.54 0.52 -0.55 -0.55 0.00 0.00 176.35 175.28 1xeb s SER 116 N -1.45 6.14 0.35 1.48 0.15 -1.26 -4.52 113.70 114.60 1xeb s SER 116 Ca -0.11 -2.06 -0.21 0.00 0.70 0.00 0.00 55.95 54.26 1xeb s SER 116 Cb -0.03 -2.14 -0.10 0.00 -1.71 0.00 0.00 66.02 62.04 1xeb s SER 116 CO 0.04 -0.74 0.88 0.00 1.20 0.00 0.00 173.24 174.63 1xeb s ALA 117 N 1.16 3.19 -0.10 5.45 0.00 -0.35 -4.83 121.76 126.28 1xeb s ALA 117 Ca 0.07 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.09 1xeb s ALA 117 Cb -0.24 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 1xeb s ALA 117 CO -0.01 0.20 1.37 -0.65 0.00 0.00 0.00 175.76 176.67 1xeb s GLN 118 N -2.63 4.24 0.08 0.00 -0.21 -1.26 0.32 119.66 120.21 1xeb s GLN 118 Ca 0.54 1.83 -0.15 0.00 0.02 0.00 0.00 55.36 57.60 1xeb s GLN 118 Cb -0.13 -3.76 -0.03 0.00 1.00 0.00 0.00 33.01 30.09 1xeb s GLN 118 CO 0.18 -0.68 0.78 0.00 -2.12 0.00 0.00 175.29 173.45 1xeb n ALA 119 N 6.34 -0.31 0.00 6.09 0.00 -0.43 -0.79 120.51 131.41 1xeb n ALA 119 Ca 0.14 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1xeb n ALA 119 Cb 0.44 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.84 1xeb n ALA 119 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1xeb n HIS 120 N -4.54 0.00 -2.70 0.00 1.44 -1.26 -2.76 115.22 105.39 1xeb n HIS 120 Ca 0.01 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.65 1xeb n HIS 120 Cb 0.13 0.00 0.11 0.00 0.12 0.00 0.00 29.99 30.35 1xeb n HIS 120 CO 0.00 0.00 0.00 1.47 -2.81 0.00 0.00 176.34 175.00 1xeb n LEU 121 N -0.14 -1.56 0.05 2.39 -0.00 0.03 -4.93 117.00 112.84 1xeb n LEU 121 Ca 0.00 -3.51 -0.13 0.00 -0.00 0.00 0.00 56.01 52.38 1xeb n LEU 121 Cb 0.00 0.11 -0.09 0.00 -0.00 0.00 0.00 43.42 43.44 1xeb n LEU 121 CO 0.00 1.87 0.60 1.56 -0.00 0.00 0.00 177.39 181.43 1xeb h GLN 122 N 2.16 -0.14 -0.94 1.47 4.20 -1.69 -3.18 115.11 117.00 1xeb h GLN 122 Ca -0.25 0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.58 1xeb h GLN 122 Cb 1.28 0.03 -0.13 0.00 0.30 0.00 0.00 27.48 28.96 1xeb h GLN 122 CO 0.00 0.25 -0.47 0.00 -0.67 0.00 0.00 178.83 177.94 1xeb n ALA 123 N -2.38 -0.39 -0.12 3.87 0.00 -1.26 0.32 120.51 120.54 1xeb n ALA 123 Ca -0.09 0.86 -0.11 0.00 0.00 0.00 0.00 53.44 54.10 1xeb n ALA 123 Cb 0.24 -0.26 -0.08 0.00 0.00 0.00 0.00 19.45 19.35 1xeb n ALA 123 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1xeb h TYR 124 N 0.00 -1.38 0.00 0.00 3.20 -1.93 -0.08 116.97 116.78 1xeb h TYR 124 Ca 0.23 0.07 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 1xeb h TYR 124 Cb 0.46 0.65 -0.00 0.00 1.54 0.00 0.00 36.73 39.37 1xeb h TYR 124 CO -0.90 -0.39 -0.16 1.88 -1.64 0.00 0.00 178.16 176.95 1xeb h TYR 125 N -0.31 0.00 -0.50 -3.82 0.05 -1.27 -3.11 116.97 108.01 1xeb h TYR 125 Ca 0.06 0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.93 1xeb h TYR 125 Cb 0.47 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.14 1xeb h TYR 125 CO -0.71 0.16 0.06 0.78 -1.05 0.00 0.00 178.16 177.40 1xeb h GLY 126 N 1.16 0.57 0.00 3.88 0.00 0.18 -1.58 103.07 107.30 1xeb h GLY 126 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1xeb h GLY 126 CO 0.02 -0.10 0.00 0.54 0.00 0.00 0.00 176.54 177.00 1xeb n ARG 127 N -5.16 0.39 -0.13 4.80 5.12 -1.12 -0.03 116.66 120.53 1xeb n ARG 127 Ca 0.06 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 56.02 1xeb n ARG 127 Cb 0.26 -1.00 0.11 0.00 -1.16 0.00 0.00 32.46 30.66 1xeb n ARG 127 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1xeb n TYR 128 N -0.50 0.30 -0.02 -1.55 4.01 -0.60 -4.96 117.16 113.84 1xeb n TYR 128 Ca 0.00 -0.61 0.00 0.00 -0.16 0.00 0.00 57.90 57.14 1xeb n TYR 128 Cb 0.00 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 38.94 1xeb n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xeb n GLY 129 N -0.22 0.33 3.77 2.72 0.00 0.95 -5.00 105.19 107.75 1xeb n GLY 129 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1xeb n GLY 129 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xeb s PHE 130 N -2.11 3.10 0.01 1.61 0.08 -1.16 -4.52 117.98 114.99 1xeb s PHE 130 Ca 0.00 1.59 0.02 0.00 0.12 0.00 0.00 56.93 58.66 1xeb s PHE 130 Cb 0.00 -3.28 -0.01 0.00 -0.57 0.00 0.00 43.02 39.15 1xeb s PHE 130 CO 0.00 -1.09 -0.07 0.08 -0.10 0.00 0.00 175.22 174.04 1xeb s VAL 131 N -1.54 0.55 -0.00 -0.44 1.01 -0.80 -4.20 120.40 114.98 1xeb s VAL 131 Ca 0.59 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.67 1xeb s VAL 131 Cb -0.27 -0.52 -0.06 0.00 0.00 0.00 0.00 36.38 35.53 1xeb s VAL 131 CO 0.33 -0.05 1.50 0.00 0.00 0.00 0.00 175.10 176.89 1xeb s ALA 132 N -0.61 3.62 -0.33 5.51 0.00 -1.26 -2.05 121.76 126.64 1xeb s ALA 132 Ca -0.02 0.95 0.04 0.00 0.00 0.00 0.00 51.96 52.93 1xeb s ALA 132 Cb -0.05 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.41 1xeb s ALA 132 CO 0.00 -1.07 0.38 1.33 0.00 0.00 0.00 175.76 176.40 1xeb n VAL 133 N 4.88 0.00 -4.62 0.00 0.24 -0.80 -4.99 118.33 113.04 1xeb n VAL 133 Ca 0.15 -0.46 -0.29 0.00 -2.04 0.00 0.00 64.34 61.70 1xeb n VAL 133 Cb 0.43 1.04 -0.08 0.00 -1.47 0.00 0.00 33.84 33.76 1xeb n VAL 133 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1xeb s THR 134 N -0.86 0.87 0.44 3.34 -4.23 -1.21 -5.02 115.64 108.96 1xeb s THR 134 Ca 0.03 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.59 1xeb s THR 134 Cb 0.03 -2.28 0.01 0.00 1.34 0.00 0.00 72.50 71.60 1xeb s THR 134 CO 0.10 0.00 0.62 -1.61 -0.54 0.00 0.00 174.62 173.19 1xeb s GLU 135 N -3.78 2.83 0.30 3.99 2.02 -1.26 -4.75 118.70 118.05 1xeb s GLU 135 Ca 0.16 -0.98 -0.29 0.00 0.02 0.00 0.00 54.97 53.88 1xeb s GLU 135 Cb 0.02 -2.67 -0.10 0.00 0.10 0.00 0.00 34.13 31.48 1xeb s GLU 135 CO 0.10 -0.33 1.35 0.08 0.02 0.00 0.00 175.26 176.48 1xeb s VAL 136 N -2.46 2.70 0.05 2.63 1.01 -1.26 -4.61 120.40 118.46 1xeb s VAL 136 Ca 0.53 0.66 -0.07 0.00 0.00 0.00 0.00 61.98 63.10 1xeb s VAL 136 Cb -0.10 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 1xeb s VAL 136 CO 0.35 0.14 0.14 -0.72 0.00 0.00 0.00 175.10 175.01 1xeb s TYR 137 N -0.75 0.17 -0.17 5.22 -0.85 0.25 -4.96 117.35 116.26 1xeb s TYR 137 Ca 0.52 -0.51 -0.18 0.00 -0.52 0.00 0.00 57.07 56.39 1xeb s TYR 137 Cb -0.40 -0.11 -0.04 0.00 0.38 0.00 0.00 41.96 41.79 1xeb s TYR 137 CO 0.50 -0.44 0.46 -0.51 -1.52 0.00 0.00 175.55 174.04 1xeb s LEU 138 N -2.40 4.20 -0.22 -3.49 1.02 -1.26 0.40 118.68 116.94 1xeb s LEU 138 Ca -0.01 0.69 0.01 0.00 0.02 0.00 0.00 54.13 54.84 1xeb s LEU 138 Cb 0.01 -2.64 0.05 0.00 0.02 0.00 0.00 46.19 43.63 1xeb s LEU 138 CO -0.07 -0.07 -0.08 -0.70 0.02 0.00 0.00 176.35 175.45 1xeb s GLU 139 N 1.10 1.85 -1.36 1.70 2.12 -0.22 -4.68 118.70 119.21 1xeb s GLU 139 Ca 0.23 -0.92 -0.06 0.00 0.36 0.00 0.00 54.97 54.59 1xeb s GLU 139 Cb -0.15 -2.50 0.03 0.00 0.26 0.00 0.00 34.13 31.77 1xeb s GLU 139 CO 0.09 -0.50 0.92 -0.25 -0.54 0.00 0.00 175.26 174.98 1xeb n ASP 140 N 4.67 -3.31 -0.70 -1.70 8.00 -1.26 -1.19 116.55 121.06 1xeb n ASP 140 Ca -0.13 -0.72 -0.09 0.00 0.71 0.00 0.00 54.79 54.55 1xeb n ASP 140 Cb 0.45 -4.37 -0.04 0.00 -0.02 0.00 0.00 41.12 37.14 1xeb n ASP 140 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1xeb n ASP 141 N -3.00 -5.24 -4.22 -2.24 9.92 -1.26 -4.99 116.55 105.52 1xeb n ASP 141 Ca -0.14 0.23 -0.33 0.00 -0.53 0.00 0.00 54.79 54.02 1xeb n ASP 141 Cb 0.61 -3.55 -0.16 0.00 -0.64 0.00 0.00 41.12 37.38 1xeb n ASP 141 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1xeb s ILE 142 N -1.96 2.31 0.21 0.53 1.01 -0.33 -5.06 121.20 117.91 1xeb s ILE 142 Ca 0.00 -0.90 -0.32 0.00 0.00 0.00 0.00 60.65 59.44 1xeb s ILE 142 Cb 0.00 -1.94 -0.12 0.00 0.01 0.00 0.00 42.46 40.41 1xeb s ILE 142 CO 0.00 0.54 1.69 -2.16 0.00 0.00 0.00 174.94 175.00 1xeb s PRO 143 N 0.75 4.14 0.12 2.79 0.04 -1.26 -1.05 135.00 140.52 1xeb s PRO 143 Ca -0.08 2.57 -0.00 0.00 0.04 0.00 0.00 61.00 63.53 1xeb s PRO 143 Cb -0.16 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 1xeb s PRO 143 CO 0.00 -0.72 0.01 -1.01 0.04 0.00 0.00 177.00 175.32 1xeb s HIS 144 N 1.03 0.86 -0.14 0.56 3.76 0.16 -1.32 115.29 120.21 1xeb s HIS 144 Ca 0.73 -1.12 -0.07 0.00 -0.15 0.00 0.00 55.06 54.45 1xeb s HIS 144 Cb -0.49 -0.51 0.05 0.00 1.11 0.00 0.00 32.58 32.75 1xeb s HIS 144 CO 0.34 -0.38 0.32 -1.50 -0.85 0.00 0.00 174.74 172.67 1xeb s ILE 145 N -3.89 -0.07 0.86 0.60 2.07 0.15 -0.59 121.20 120.34 1xeb s ILE 145 Ca 0.19 0.13 -0.12 0.00 -1.41 0.00 0.00 60.65 59.44 1xeb s ILE 145 Cb 0.07 -0.49 0.10 0.00 0.13 0.00 0.00 42.46 42.28 1xeb s ILE 145 CO -0.01 0.05 1.12 -0.83 -1.91 0.00 0.00 174.94 173.36 1xeb s GLY 146 N 1.40 1.60 -0.25 1.50 0.00 -1.26 -1.21 107.32 109.10 1xeb s GLY 146 Ca -0.09 -0.37 -0.38 0.00 0.00 0.00 0.00 44.72 43.89 1xeb s GLY 146 CO -0.10 0.12 1.39 1.09 0.00 0.00 0.00 173.10 175.60 1xeb s ARG 148 N -5.22 0.03 0.23 2.90 1.70 -0.87 -1.91 118.95 115.81 1xeb s ARG 148 Ca 0.62 -0.01 -0.17 0.00 -0.47 0.00 0.00 55.73 55.71 1xeb s ARG 148 Cb -0.15 0.01 0.01 0.00 -0.57 0.00 0.00 34.95 34.26 1xeb s ARG 148 CO 0.54 -0.01 0.55 -0.98 -1.08 0.00 0.00 175.30 174.31 1xeb s ARG 149 N -2.04 1.52 0.00 3.89 1.04 -0.70 -1.90 118.95 120.76 1xeb s ARG 149 Ca 0.12 -1.03 0.00 0.00 -1.04 0.00 0.00 55.73 53.79 1xeb s ARG 149 Cb 0.01 0.52 0.00 0.00 -2.04 0.00 0.00 34.95 33.44 1xeb s ARG 149 CO -0.03 -0.65 0.00 0.00 -0.04 0.00 0.00 175.30 174.58