#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 6.10 0.10 -1.43 -0.00 -0.13 -4.94 116.67 116.38 1xeb s ASP 4 Ca 0.00 -1.50 -0.17 0.00 -0.00 0.00 0.00 52.55 50.88 1xeb s ASP 4 Cb 0.00 -2.17 -0.07 0.00 -0.00 0.00 0.00 42.92 40.68 1xeb s ASP 4 CO 0.00 -0.70 0.57 0.26 -0.00 0.00 0.00 175.17 175.29 1xeb s TRP 5 N 1.60 3.73 -0.15 4.23 0.52 -1.26 -1.34 118.94 126.28 1xeb s TRP 5 Ca 0.04 1.20 -0.13 0.00 0.02 0.00 0.00 56.10 57.22 1xeb s TRP 5 Cb -0.26 -2.45 0.04 0.00 -1.15 0.00 0.00 33.47 29.64 1xeb s TRP 5 CO 0.05 0.52 0.39 -0.08 0.02 0.00 0.00 176.95 177.85 1xeb s THR 6 N -1.25 -0.00 -0.44 2.01 -1.32 -1.26 -5.01 115.64 108.37 1xeb s THR 6 Ca 0.33 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.84 1xeb s THR 6 Cb -0.18 -0.54 0.12 0.00 -1.51 0.00 0.00 72.50 70.40 1xeb s THR 6 CO 0.19 0.00 0.20 0.00 -2.21 0.00 0.00 174.62 172.80 1xeb s LYS 8 N 0.33 3.56 0.02 0.00 1.02 -0.78 -4.83 119.74 119.07 1xeb s LYS 8 Ca 0.15 -0.13 -0.30 0.00 0.02 0.00 0.00 55.97 55.71 1xeb s LYS 8 Cb -0.23 -3.05 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 1xeb s LYS 8 CO -0.04 0.62 1.12 -1.58 -0.92 0.00 0.00 175.35 174.56 1xeb s HIS 9 N -1.37 3.48 0.50 3.18 5.65 -1.26 -0.50 115.29 124.96 1xeb s HIS 9 Ca 0.30 1.42 0.28 0.00 0.25 0.00 0.00 55.06 57.32 1xeb s HIS 9 Cb -0.13 -3.32 0.97 0.00 -1.18 0.00 0.00 32.58 28.92 1xeb s HIS 9 CO 0.19 -0.85 1.16 -2.39 -0.65 0.00 0.00 174.74 172.19 1xeb n HIS 10 N 4.13 0.00 0.26 3.88 1.44 -0.78 0.18 115.22 124.33 1xeb n HIS 10 Ca 0.08 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.94 1xeb n HIS 10 Cb 0.48 -0.28 0.42 0.00 0.12 0.00 0.00 29.99 30.73 1xeb n HIS 10 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1xeb h ALA 11 N 0.56 1.00 -0.01 1.59 0.00 -1.89 -3.08 119.26 117.41 1xeb h ALA 11 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1xeb h ALA 11 Cb 2.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.48 1xeb h ALA 11 CO -0.01 0.00 -0.22 -0.25 0.00 0.00 0.00 179.25 178.77 1xeb n ASP 12 N -3.06 1.49 -4.72 0.00 8.00 0.48 -4.96 116.55 113.80 1xeb n ASP 12 Ca 0.02 -1.24 -0.33 0.00 0.71 0.00 0.00 54.79 53.95 1xeb n ASP 12 Cb 0.42 0.16 0.10 0.00 -0.02 0.00 0.00 41.12 41.78 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 -2.34 3.20 0.21 0.64 1.43 -1.17 -4.97 118.68 115.68 1xeb s LEU 13 Ca 0.27 2.23 0.09 0.00 -1.03 0.00 0.00 54.13 55.69 1xeb s LEU 13 Cb 0.19 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.80 1xeb s LEU 13 CO 0.47 -2.36 -0.07 0.42 0.23 0.00 0.00 176.35 175.05 1xeb s THR 14 N -2.25 3.27 0.17 5.49 -4.23 -1.26 -4.99 115.64 111.84 1xeb s THR 14 Ca 0.71 -1.76 -0.21 0.00 -1.18 0.00 0.00 61.69 59.24 1xeb s THR 14 Cb -0.26 -2.67 0.10 0.00 1.34 0.00 0.00 72.50 71.01 1xeb s THR 14 CO 0.49 -0.21 1.60 -0.07 -0.54 0.00 0.00 174.62 175.89 1xeb h LEU 15 N 2.54 -0.98 -0.38 4.79 3.38 -1.99 -0.36 115.31 122.31 1xeb h LEU 15 Ca -0.46 0.19 0.08 0.00 0.09 0.00 0.00 57.88 57.79 1xeb h LEU 15 Cb 1.22 0.49 -0.08 0.00 0.09 0.00 0.00 40.66 42.37 1xeb h LEU 15 CO 0.57 -0.29 -0.21 0.11 0.09 0.00 0.00 178.44 178.71 1xeb h LYS 16 N -0.19 -0.14 -0.53 1.13 1.57 -1.99 -0.13 116.57 116.29 1xeb h LYS 16 Ca 0.20 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.05 1xeb h LYS 16 Cb 0.52 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.80 1xeb h LYS 16 CO -0.57 -0.09 0.22 0.93 -0.57 0.00 0.00 179.45 179.37 1xeb h GLU 17 N -0.14 0.42 -0.28 3.15 5.08 -1.58 -0.43 114.58 120.79 1xeb h GLU 17 Ca 0.19 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1xeb h GLU 17 Cb 0.43 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1xeb h GLU 17 CO -0.47 0.28 0.15 1.25 -1.00 0.00 0.00 179.01 179.22 1xeb h LEU 18 N 0.43 0.36 -0.19 1.33 6.46 -0.27 -1.51 115.31 121.93 1xeb h LEU 18 Ca 0.25 -0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.91 1xeb h LEU 18 Cb 0.23 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.06 1xeb h LEU 18 CO -0.22 0.35 0.12 0.22 -0.62 0.00 0.00 178.44 178.29 1xeb h TYR 19 N 0.34 0.24 -0.48 1.25 5.03 -0.69 -1.27 116.97 121.39 1xeb h TYR 19 Ca 0.10 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.41 1xeb h TYR 19 Cb 0.08 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.26 1xeb h TYR 19 CO -0.03 0.18 0.31 0.00 -1.32 0.00 0.00 178.16 177.30 1xeb h ALA 20 N 1.04 0.61 -0.46 1.82 0.00 -0.94 1.02 119.26 122.35 1xeb h ALA 20 Ca 0.07 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1xeb h ALA 20 Cb 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1xeb h ALA 20 CO -0.01 0.08 -0.05 1.37 0.00 0.00 0.00 179.25 180.63 1xeb h LEU 21 N 0.65 0.77 -0.16 0.00 8.10 -1.11 0.57 115.31 124.11 1xeb h LEU 21 Ca 0.17 -0.21 -0.13 0.00 0.11 0.00 0.00 57.88 57.83 1xeb h LEU 21 Cb -0.04 -0.20 0.00 0.00 -0.44 0.00 0.00 40.66 39.97 1xeb h LEU 21 CO -0.04 0.86 -0.41 -0.07 -4.11 0.00 0.00 178.44 174.68 1xeb h LEU 22 N 0.72 0.64 -0.18 0.17 3.38 -0.84 -1.50 115.31 117.71 1xeb h LEU 22 Ca 0.13 -0.58 0.03 0.00 0.09 0.00 0.00 57.88 57.55 1xeb h LEU 22 Cb 0.52 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1xeb h LEU 22 CO 0.03 1.10 0.02 -0.61 0.09 0.00 0.00 178.44 179.07 1xeb h GLN 23 N 0.21 0.08 -0.58 1.13 4.15 0.15 -0.16 115.11 120.09 1xeb h GLN 23 Ca -0.01 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 1xeb h GLN 23 Cb 1.02 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.67 1xeb h GLN 23 CO 0.09 0.05 0.35 1.25 -1.93 0.00 0.00 178.83 178.64 1xeb h LEU 24 N 0.09 0.70 -0.81 -2.39 5.85 0.17 -1.89 115.31 117.02 1xeb h LEU 24 Ca 0.08 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1xeb h LEU 24 Cb 0.09 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1xeb h LEU 24 CO -0.12 0.56 0.19 0.03 -0.34 0.00 0.00 178.44 178.76 1xeb h ARG 25 N 0.78 1.08 -0.25 1.25 3.08 -0.92 -2.80 114.38 116.60 1xeb h ARG 25 Ca 0.21 -0.24 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 1xeb h ARG 25 Cb -0.01 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1xeb h ARG 25 CO -0.04 0.94 -0.14 1.15 -1.07 0.00 0.00 179.97 180.81 1xeb h THR 26 N 1.03 1.30 -0.16 2.04 2.02 -0.85 0.51 112.91 118.81 1xeb h THR 26 Ca 0.22 -1.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.13 1xeb h THR 26 Cb 0.33 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 1xeb h THR 26 CO -0.00 0.39 -0.05 1.05 0.37 0.00 0.00 175.52 177.27 1xeb h GLU 27 N 0.27 0.24 0.00 6.66 4.11 -1.26 0.13 114.58 124.71 1xeb h GLU 27 Ca 0.05 -0.04 -0.04 0.00 0.07 0.00 0.00 59.36 59.41 1xeb h GLU 27 Cb 0.65 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1xeb h GLU 27 CO 0.04 0.31 -0.52 0.28 0.07 0.00 0.00 179.01 179.19 1xeb h VAL 28 N 0.23 0.21 0.00 -1.06 2.07 -1.44 -0.86 116.25 115.40 1xeb h VAL 28 Ca 0.05 -1.23 -0.08 0.00 0.82 0.00 0.00 66.70 66.26 1xeb h VAL 28 Cb 0.25 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1xeb h VAL 28 CO 0.01 0.07 -0.38 -0.26 0.02 0.00 0.00 177.57 177.03 1xeb h PHE 29 N -1.00 0.00 0.00 1.57 0.05 -0.97 -2.56 116.94 114.03 1xeb h PHE 29 Ca -0.05 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.74 1xeb h PHE 29 Cb 0.56 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.51 1xeb h PHE 29 CO -0.11 0.38 -0.97 0.28 -0.18 0.00 0.00 178.31 177.71 1xeb n VAL 30 N -3.81 1.48 0.07 -0.55 0.31 0.29 -4.11 118.33 112.01 1xeb n VAL 30 Ca -0.01 0.15 -0.03 0.00 -0.01 0.00 0.00 64.34 64.43 1xeb n VAL 30 Cb 0.45 -2.34 -0.02 0.00 -0.91 0.00 0.00 33.84 31.02 1xeb n VAL 30 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1xeb h VAL 31 N -0.99 0.00 -0.58 2.52 2.07 -1.09 0.59 116.25 118.77 1xeb h VAL 31 Ca 0.00 -0.22 0.12 0.00 0.82 0.00 0.00 66.70 67.42 1xeb h VAL 31 Cb 0.97 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.63 1xeb h VAL 31 CO 0.00 0.00 -0.12 -0.33 0.02 0.00 0.00 177.57 177.14 1xeb h GLU 32 N -0.42 0.02 0.00 1.57 5.08 -1.18 0.13 114.58 119.78 1xeb h GLU 32 Ca -0.02 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1xeb h GLU 32 Cb 0.16 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1xeb h GLU 32 CO 0.03 0.01 0.00 1.04 -1.00 0.00 0.00 179.01 179.09 1xeb n GLN 33 N -5.38 0.01 -3.77 2.33 6.02 -0.97 -4.91 117.38 110.71 1xeb n GLN 33 Ca 0.07 0.16 -0.24 0.00 -0.01 0.00 0.00 57.00 56.98 1xeb n GLN 33 Cb 0.31 -1.51 0.02 0.00 1.02 0.00 0.00 30.24 30.08 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 -1.52 -4.84 -3.92 -1.09 5.02 0.46 -4.95 118.16 107.32 1xeb n LYS 34 Ca 0.05 0.59 -0.30 0.00 -2.02 0.00 0.00 58.31 56.62 1xeb n LYS 34 Cb 0.24 -5.16 -0.14 0.00 -0.02 0.00 0.00 35.03 29.94 1xeb n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xeb s PRO 36 N 0.50 3.30 0.33 0.00 0.04 -1.26 -4.32 135.00 133.58 1xeb s PRO 36 Ca 0.14 -1.43 0.05 0.00 0.04 0.00 0.00 61.00 59.80 1xeb s PRO 36 Cb -0.22 -5.37 -0.07 0.00 0.04 0.00 0.00 34.50 28.89 1xeb s PRO 36 CO -0.06 -2.93 0.01 1.52 0.04 0.00 0.00 177.00 175.58 1xeb s TYR 37 N 7.14 2.08 -0.99 0.56 1.13 -1.26 -5.06 117.35 120.96 1xeb s TYR 37 Ca 0.59 -0.81 -0.24 0.00 -1.41 0.00 0.00 57.07 55.21 1xeb s TYR 37 Cb 0.01 -1.33 -0.03 0.00 -1.10 0.00 0.00 41.96 39.50 1xeb s TYR 37 CO 0.06 0.20 1.86 -1.14 -2.51 0.00 0.00 175.55 174.01 1xeb s GLN 38 N -3.80 2.77 0.22 -3.49 2.00 -1.26 -4.78 119.66 111.33 1xeb s GLN 38 Ca 0.34 -0.66 -0.08 0.00 -2.00 0.00 0.00 55.36 52.96 1xeb s GLN 38 Cb 0.07 -5.16 0.19 0.00 0.80 0.00 0.00 33.01 28.90 1xeb s GLN 38 CO 0.15 -3.25 1.84 1.49 -0.50 0.00 0.00 175.29 175.02 1xeb h GLU 39 N 10.60 1.19 -5.35 1.67 4.57 -1.97 -3.31 114.58 121.99 1xeb h GLU 39 Ca 0.15 -0.14 -0.70 0.00 -1.18 0.00 0.00 59.36 57.49 1xeb h GLU 39 Cb 0.99 -0.23 -0.13 0.00 -0.16 0.00 0.00 28.75 29.22 1xeb h GLU 39 CO 1.26 0.88 1.64 0.08 -1.18 0.00 0.00 179.01 181.69 1xeb s VAL 40 N -5.82 4.53 -1.91 0.32 1.01 -1.26 -4.82 120.40 112.45 1xeb s VAL 40 Ca -0.13 -2.05 0.31 0.00 0.00 0.00 0.00 61.98 60.12 1xeb s VAL 40 Cb 0.16 -5.02 0.81 0.00 0.00 0.00 0.00 36.38 32.33 1xeb s VAL 40 CO 0.82 -1.80 2.17 -0.90 0.00 0.00 0.00 175.10 175.39 1xeb n ASP 41 N 7.15 0.08 0.00 3.32 3.85 -1.25 -4.92 116.55 124.77 1xeb n ASP 41 Ca 0.40 -0.86 0.00 0.00 -0.71 0.00 0.00 54.79 53.62 1xeb n ASP 41 Cb 0.46 -0.05 0.00 0.00 -1.35 0.00 0.00 41.12 40.17 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 1.07 0.49 0.75 6.12 0.00 -1.26 -4.89 105.19 107.45 1xeb n GLY 42 Ca 0.22 -0.19 0.06 0.00 0.00 0.00 0.00 46.02 46.11 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 3.16 0.02 0.99 4.77 -1.26 -4.62 117.00 120.06 1xeb n LEU 43 Ca 0.00 -2.12 -0.03 0.00 -0.03 0.00 0.00 56.01 53.83 1xeb n LEU 43 Cb 0.00 -0.29 -0.09 0.00 -2.33 0.00 0.00 43.42 40.70 1xeb n LEU 43 CO 0.00 0.75 -0.30 0.44 -1.33 0.00 0.00 177.39 176.95 1xeb h ASP 44 N 2.23 0.00 -1.49 -1.43 5.19 -1.99 -3.41 116.42 115.52 1xeb h ASP 44 Ca 0.00 0.00 -0.54 0.00 -0.62 0.00 0.00 57.03 55.87 1xeb h ASP 44 Cb 0.85 0.00 -0.42 0.00 0.18 0.00 0.00 39.33 39.94 1xeb h ASP 44 CO 0.03 0.72 -0.84 0.18 -3.12 0.00 0.00 179.24 176.21 1xeb n LEU 45 N -2.98 3.86 -3.95 1.55 4.77 -1.26 -4.73 117.00 114.26 1xeb n LEU 45 Ca -0.11 -4.92 -0.10 0.00 -0.03 0.00 0.00 56.01 50.85 1xeb n LEU 45 Cb 0.90 -0.24 -0.11 0.00 -2.33 0.00 0.00 43.42 41.65 1xeb n LEU 45 CO 0.44 2.10 -0.31 0.68 -1.33 0.00 0.00 177.39 178.97 1xeb s VAL 46 N -4.82 0.10 0.00 4.08 -7.23 -1.26 -5.05 120.40 106.22 1xeb s VAL 46 Ca 0.43 -0.87 0.00 0.00 -1.81 0.00 0.00 61.98 59.74 1xeb s VAL 46 Cb 0.40 -0.32 0.00 0.00 0.56 0.00 0.00 36.38 37.02 1xeb s VAL 46 CO -0.13 -0.48 0.00 0.61 -0.31 0.00 0.00 175.10 174.79 1xeb n GLY 47 N 1.54 3.60 0.63 2.32 0.00 -1.26 -2.71 105.19 109.32 1xeb n GLY 47 Ca -0.24 0.16 0.06 0.00 0.00 0.00 0.00 46.02 46.00 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 6.19 1.69 -4.73 1.61 8.00 -1.26 -4.96 116.55 123.09 1xeb n ASP 48 Ca 0.00 -3.80 -0.41 0.00 0.71 0.00 0.00 54.79 51.29 1xeb n ASP 48 Cb 0.00 -0.52 0.01 0.00 -0.02 0.00 0.00 41.12 40.59 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 -1.04 2.39 -4.42 -3.53 -2.24 -1.10 -4.40 114.28 99.93 1xeb n THR 49 Ca 0.18 -0.50 -0.26 0.00 -2.27 0.00 0.00 64.05 61.21 1xeb n THR 49 Cb 0.71 -1.72 -0.11 0.00 -2.10 0.00 0.00 70.33 67.11 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 -1.16 2.24 -0.25 4.78 3.76 0.18 -1.87 115.29 122.96 1xeb s HIS 50 Ca 0.58 -0.37 0.01 0.00 -0.15 0.00 0.00 55.06 55.14 1xeb s HIS 50 Cb -0.50 -1.08 0.06 0.00 1.11 0.00 0.00 32.58 32.17 1xeb s HIS 50 CO 0.60 0.52 -0.05 -1.01 -0.85 0.00 0.00 174.74 173.95 1xeb s HIS 51 N -1.88 2.66 0.58 1.40 3.76 0.34 -1.17 115.29 120.98 1xeb s HIS 51 Ca 0.22 -1.97 -0.09 0.00 -0.15 0.00 0.00 55.06 53.07 1xeb s HIS 51 Cb -0.07 -1.76 -0.03 0.00 1.11 0.00 0.00 32.58 31.83 1xeb s HIS 51 CO 0.10 -0.81 0.95 -1.17 -0.85 0.00 0.00 174.74 172.95 1xeb s LEU 52 N 1.30 3.34 -0.30 0.89 0.20 -0.18 -1.86 118.68 122.07 1xeb s LEU 52 Ca -0.05 1.19 -0.09 0.00 0.69 0.00 0.00 54.13 55.87 1xeb s LEU 52 Cb -0.19 -4.17 0.17 0.00 -0.43 0.00 0.00 46.19 41.57 1xeb s LEU 52 CO -0.07 -0.82 0.79 0.00 -0.29 0.00 0.00 176.35 175.96 1xeb s ALA 54 N -3.04 -2.55 0.09 5.97 0.00 -0.88 -2.18 121.76 119.17 1xeb s ALA 54 Ca 0.53 1.92 0.05 0.00 0.00 0.00 0.00 51.96 54.46 1xeb s ALA 54 Cb -0.11 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 1xeb s ALA 54 CO 0.50 -1.18 -0.02 -1.58 0.00 0.00 0.00 175.76 173.48 1xeb s TRP 55 N 2.80 2.95 -0.31 0.00 0.52 -0.45 -1.41 118.94 123.04 1xeb s TRP 55 Ca 0.05 -0.04 0.00 0.00 0.02 0.00 0.00 56.10 56.13 1xeb s TRP 55 Cb -0.11 -1.53 0.14 0.00 -1.15 0.00 0.00 33.47 30.82 1xeb s TRP 55 CO -0.18 0.47 0.31 0.50 0.02 0.00 0.00 176.95 178.07 1xeb s ARG 56 N -2.25 0.40 -0.47 4.98 3.52 -1.02 -0.95 118.95 123.16 1xeb s ARG 56 Ca 0.25 -0.32 -0.11 0.00 -0.13 0.00 0.00 55.73 55.41 1xeb s ARG 56 Cb -0.12 -0.68 0.02 0.00 -1.56 0.00 0.00 34.95 32.61 1xeb s ARG 56 CO 0.17 -1.07 0.43 -0.25 -0.81 0.00 0.00 175.30 173.77 1xeb n ASP 57 N 5.05 -3.49 0.00 -2.12 10.43 -1.26 -3.83 116.55 121.33 1xeb n ASP 57 Ca 0.01 -0.45 0.00 0.00 2.57 0.00 0.00 54.79 56.92 1xeb n ASP 57 Cb 0.46 -1.10 0.00 0.00 1.84 0.00 0.00 41.12 42.32 1xeb n ASP 57 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1xeb n GLY 58 N -0.82 2.21 3.93 0.44 0.00 -1.26 -5.08 105.19 104.62 1xeb n GLY 58 Ca -0.16 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 3.32 -0.24 1.61 1.11 -1.25 -5.07 119.66 119.14 1xeb s GLN 59 Ca 0.00 -0.22 -0.21 0.00 0.01 0.00 0.00 55.36 54.94 1xeb s GLN 59 Cb 0.00 -2.52 -0.02 0.00 -1.01 0.00 0.00 33.01 29.46 1xeb s GLN 59 CO 0.00 -0.15 0.67 -1.17 0.01 0.00 0.00 175.29 174.65 1xeb s LEU 60 N -4.56 4.09 -0.01 2.90 0.20 -1.26 -2.44 118.68 117.59 1xeb s LEU 60 Ca 0.46 0.80 0.14 0.00 0.69 0.00 0.00 54.13 56.22 1xeb s LEU 60 Cb -0.10 -2.93 -0.19 0.00 -0.43 0.00 0.00 46.19 42.54 1xeb s LEU 60 CO 0.40 -0.37 0.40 0.18 -0.29 0.00 0.00 176.35 176.66 1xeb n LEU 61 N 5.58 0.23 -3.85 -0.68 4.77 -0.50 -4.67 117.00 117.88 1xeb n LEU 61 Ca 0.00 -0.18 -0.12 0.00 -0.03 0.00 0.00 56.01 55.69 1xeb n LEU 61 Cb 0.49 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 1xeb n LEU 61 CO 0.44 0.06 -0.14 0.00 -1.33 0.00 0.00 177.39 176.42 1xeb s ALA 62 N -2.71 -0.42 -0.09 -1.18 0.00 -1.19 -0.51 121.76 115.67 1xeb s ALA 62 Ca -0.01 0.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.67 1xeb s ALA 62 Cb 0.09 0.05 0.09 0.00 0.00 0.00 0.00 23.12 23.36 1xeb s ALA 62 CO 0.57 -0.20 0.81 -0.47 0.00 0.00 0.00 175.76 176.47 1xeb s TYR 63 N -1.18 -0.53 -0.14 0.00 5.04 0.11 -2.08 117.35 118.58 1xeb s TYR 63 Ca -0.13 0.88 -0.30 0.00 -2.44 0.00 0.00 57.07 55.09 1xeb s TYR 63 Cb -0.06 0.43 0.10 0.00 0.35 0.00 0.00 41.96 42.78 1xeb s TYR 63 CO 0.02 -0.51 0.88 -0.48 -1.34 0.00 0.00 175.55 174.12 1xeb s LEU 64 N -1.24 -0.50 -0.06 6.97 0.05 -0.93 -0.91 118.68 122.06 1xeb s LEU 64 Ca -0.06 0.62 0.02 0.00 0.05 0.00 0.00 54.13 54.75 1xeb s LEU 64 Cb -0.00 2.13 -0.03 0.00 -2.05 0.00 0.00 46.19 46.24 1xeb s LEU 64 CO 0.05 -0.41 -0.10 -0.60 -0.55 0.00 0.00 176.35 174.74 1xeb s ARG 65 N -0.91 2.65 -0.14 1.48 3.52 -0.78 -1.01 118.95 123.76 1xeb s ARG 65 Ca -0.04 -0.62 0.02 0.00 -0.13 0.00 0.00 55.73 54.95 1xeb s ARG 65 Cb -0.01 -2.50 0.00 0.00 -1.56 0.00 0.00 34.95 30.89 1xeb s ARG 65 CO 0.04 0.63 -0.19 -0.51 -0.81 0.00 0.00 175.30 174.46 1xeb s LEU 66 N -0.74 2.29 -0.20 -0.88 1.02 -0.32 -2.01 118.68 117.83 1xeb s LEU 66 Ca 0.11 -0.53 -0.09 0.00 0.02 0.00 0.00 54.13 53.64 1xeb s LEU 66 Cb -0.11 -1.50 -0.05 0.00 0.02 0.00 0.00 46.19 44.56 1xeb s LEU 66 CO 0.01 0.09 0.12 -0.76 0.02 0.00 0.00 176.35 175.83 1xeb s LEU 67 N 0.76 4.08 0.44 1.79 1.02 0.70 -0.65 118.68 126.82 1xeb s LEU 67 Ca -0.07 0.16 -0.26 0.00 0.02 0.00 0.00 54.13 53.98 1xeb s LEU 67 Cb -0.16 -2.06 -0.09 0.00 0.02 0.00 0.00 46.19 43.91 1xeb s LEU 67 CO -0.00 0.16 1.40 1.51 0.02 0.00 0.00 176.35 179.44 1xeb s ASP 68 N 0.50 6.01 0.49 2.29 -4.77 -1.26 -1.94 116.67 117.99 1xeb s ASP 68 Ca 0.07 2.87 0.14 0.00 -3.30 0.00 0.00 52.55 52.33 1xeb s ASP 68 Cb -0.12 -2.65 1.16 0.00 -1.09 0.00 0.00 42.92 40.22 1xeb s ASP 68 CO -0.00 -1.08 2.11 1.55 0.70 0.00 0.00 175.17 178.44 1xeb h PRO 69 N 2.45 0.07 0.00 2.11 0.13 -1.91 -3.04 132.00 131.81 1xeb h PRO 69 Ca -0.51 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.58 1xeb h PRO 69 Cb 1.26 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1xeb h PRO 69 CO 0.62 0.09 -0.19 -0.24 -0.23 0.00 0.00 178.00 178.05 1xeb h VAL 70 N 0.07 0.87 -0.38 1.56 3.04 -1.91 -0.79 116.25 118.71 1xeb h VAL 70 Ca 0.02 -0.71 0.00 0.00 -1.01 0.00 0.00 66.70 65.00 1xeb h VAL 70 Cb 0.06 1.41 0.00 0.00 -2.01 0.00 0.00 31.29 30.75 1xeb h VAL 70 CO 0.00 0.18 0.00 0.54 -1.01 0.00 0.00 177.57 177.28 1xeb n ARG 71 N -3.93 2.17 -2.82 4.17 1.74 -1.15 -4.34 116.66 112.50 1xeb n ARG 71 Ca -0.02 -1.79 -0.12 0.00 -0.77 0.00 0.00 57.85 55.15 1xeb n ARG 71 Cb 0.27 -1.44 0.01 0.00 -1.02 0.00 0.00 32.46 30.29 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 0.98 0.77 -4.09 -1.55 8.25 -0.65 -5.01 115.22 113.92 1xeb n HIS 72 Ca 0.18 -3.07 -0.31 0.00 -0.26 0.00 0.00 57.72 54.26 1xeb n HIS 72 Cb 0.46 -0.34 -0.02 0.00 1.12 0.00 0.00 29.99 31.21 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 0.03 -3.28 -1.07 -0.41 4.71 -1.20 -1.30 120.64 118.12 1xeb n GLU 73 Ca 0.13 0.39 -0.02 0.00 -0.01 0.00 0.00 57.16 57.65 1xeb n GLU 73 Cb 0.77 -4.82 -0.01 0.00 -1.01 0.00 0.00 31.44 26.37 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 -1.72 0.57 3.19 0.62 0.00 -0.39 -5.03 105.19 102.42 1xeb n GLY 74 Ca -0.11 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.68 1.37 0.08 1.61 -0.21 -0.42 -4.55 119.66 115.86 1xeb s GLN 75 Ca 0.00 -0.72 -0.26 0.00 0.02 0.00 0.00 55.36 54.40 1xeb s GLN 75 Cb 0.00 -1.37 -0.06 0.00 1.00 0.00 0.00 33.01 32.58 1xeb s GLN 75 CO 0.00 0.36 0.82 0.08 -2.12 0.00 0.00 175.29 174.43 1xeb s VAL 76 N -0.55 4.61 -0.24 1.09 1.01 -0.70 -3.49 120.40 122.13 1xeb s VAL 76 Ca 0.06 1.76 -0.01 0.00 0.00 0.00 0.00 61.98 63.79 1xeb s VAL 76 Cb -0.07 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.16 1xeb s VAL 76 CO 0.00 0.38 -0.08 -0.69 0.00 0.00 0.00 175.10 174.71 1xeb s VAL 77 N -0.22 2.79 -0.13 2.92 1.01 -0.82 -0.70 120.40 125.25 1xeb s VAL 77 Ca 0.40 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.30 1xeb s VAL 77 Cb -0.22 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1xeb s VAL 77 CO 0.25 0.24 0.12 -0.63 0.00 0.00 0.00 175.10 175.08 1xeb s ILE 78 N 1.32 5.36 0.23 2.22 1.01 -0.04 -0.21 121.20 131.09 1xeb s ILE 78 Ca 0.01 0.16 -0.08 0.00 0.00 0.00 0.00 60.65 60.73 1xeb s ILE 78 Cb -0.16 -3.34 0.03 0.00 0.01 0.00 0.00 42.46 39.00 1xeb s ILE 78 CO -0.05 0.60 0.45 0.61 0.00 0.00 0.00 174.94 176.54 1xeb n GLY 79 N 2.18 1.45 2.96 6.18 0.00 -0.85 -4.21 105.19 112.91 1xeb n GLY 79 Ca -0.19 -1.17 -0.21 0.00 0.00 0.00 0.00 46.02 44.45 1xeb n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xeb n ARG 80 N -0.31 -3.76 -1.92 1.61 5.12 -1.26 -1.87 116.66 114.27 1xeb n ARG 80 Ca -0.05 0.76 -0.42 0.00 -1.93 0.00 0.00 57.85 56.21 1xeb n ARG 80 Cb 0.34 -5.53 -0.03 0.00 -1.16 0.00 0.00 32.46 26.08 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 -3.02 3.37 -0.03 1.55 1.01 -1.26 -4.20 120.40 117.81 1xeb s VAL 81 Ca 0.25 0.37 -0.08 0.00 0.00 0.00 0.00 61.98 62.53 1xeb s VAL 81 Cb -0.12 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.74 1xeb s VAL 81 CO 0.31 -0.35 0.17 0.54 0.00 0.00 0.00 175.10 175.77 1xeb s VAL 82 N 7.42 0.04 0.01 2.92 0.11 -0.09 -5.03 120.40 125.79 1xeb s VAL 82 Ca 0.83 -0.37 0.02 0.00 -2.93 0.00 0.00 61.98 59.53 1xeb s VAL 82 Cb -0.24 -0.37 -0.01 0.00 -1.53 0.00 0.00 36.38 34.23 1xeb s VAL 82 CO 0.33 -0.20 -0.05 -0.94 -3.33 0.00 0.00 175.10 170.90 1xeb s SER 83 N -0.72 0.62 0.52 3.54 1.04 -1.26 0.10 113.70 117.54 1xeb s SER 83 Ca -0.08 -0.20 -0.22 0.00 0.48 0.00 0.00 55.95 55.93 1xeb s SER 83 Cb -0.05 -0.04 -0.06 0.00 0.10 0.00 0.00 66.02 65.98 1xeb s SER 83 CO 0.01 -0.01 1.32 -0.55 0.98 0.00 0.00 173.24 174.99 1xeb s SER 84 N -0.48 5.50 0.00 7.02 0.15 0.34 -4.88 113.70 121.34 1xeb s SER 84 Ca -0.01 2.68 0.23 0.00 0.70 0.00 0.00 55.95 59.55 1xeb s SER 84 Cb -0.04 -2.63 1.35 0.00 -1.71 0.00 0.00 66.02 62.99 1xeb s SER 84 CO -0.00 -1.41 1.76 -1.20 1.20 0.00 0.00 173.24 173.59 1xeb n SER 85 N -0.86 0.00 -0.06 5.45 7.64 -1.26 -3.40 113.62 121.14 1xeb n SER 85 Ca 0.09 -0.62 -0.04 0.00 1.01 0.00 0.00 58.87 59.32 1xeb n SER 85 Cb 0.45 -0.05 -0.04 0.00 -1.01 0.00 0.00 64.21 63.57 1xeb n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xeb h ALA 86 N 3.39 0.00 0.00 -0.43 0.00 -1.95 -3.34 119.26 116.93 1xeb h ALA 86 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1xeb h ALA 86 Cb 0.03 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1xeb h ALA 86 CO 0.00 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1xeb n ALA 87 N -2.77 2.54 -2.32 0.00 0.00 -1.24 -5.25 120.51 111.47 1xeb n ALA 87 Ca -0.03 -0.17 -0.43 0.00 0.00 0.00 0.00 53.44 52.81 1xeb n ALA 87 Cb 0.14 -1.48 -0.02 0.00 0.00 0.00 0.00 19.45 18.09 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 -2.25 3.68 0.00 0.00 0.52 -1.22 -5.08 118.95 114.61 1xeb s ARG 88 Ca 0.37 1.15 0.00 0.00 -0.52 0.00 0.00 55.73 56.74 1xeb s ARG 88 Cb 0.20 -4.00 0.00 0.00 0.52 0.00 0.00 34.95 31.67 1xeb s ARG 88 CO 0.39 -1.42 0.00 -0.11 0.02 0.00 0.00 175.30 174.17 1xeb n LEU 92 N 8.53 0.00 0.17 2.53 -0.00 -1.26 -5.04 117.00 121.93 1xeb n LEU 92 Ca 0.17 0.00 0.02 0.00 -0.00 0.00 0.00 56.01 56.20 1xeb n LEU 92 Cb 0.47 0.00 0.30 0.00 -0.00 0.00 0.00 43.42 44.19 1xeb n LEU 92 CO 0.67 0.00 0.64 1.23 -0.00 0.00 0.00 177.39 179.93 1xeb h GLY 93 N 0.00 0.00 1.65 -3.96 0.00 -1.98 -2.05 103.07 96.74 1xeb h GLY 93 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1xeb h GLY 93 CO 0.00 0.00 0.18 0.84 0.00 0.00 0.00 176.54 177.56 1xeb h HIS 94 N 0.00 0.26 0.01 5.60 -0.00 -2.04 -1.22 115.15 117.76 1xeb h HIS 94 Ca -0.00 0.01 -0.20 0.00 -0.00 0.00 0.00 60.37 60.17 1xeb h HIS 94 Cb 0.87 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 28.18 1xeb h HIS 94 CO 0.00 0.16 -0.92 1.96 -0.00 0.00 0.00 177.93 179.13 1xeb h GLN 95 N 0.28 0.18 0.00 5.26 4.20 -1.87 -2.74 115.11 120.42 1xeb h GLN 95 Ca 0.11 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1xeb h GLN 95 Cb 0.10 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1xeb h GLN 95 CO -0.02 0.98 0.00 1.28 -0.67 0.00 0.00 178.83 180.39 1xeb n LEU 96 N -3.62 0.00 0.00 1.46 4.77 -0.46 -0.89 117.00 118.26 1xeb n LEU 96 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1xeb n LEU 96 Cb 0.83 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 1xeb n LEU 96 CO 0.48 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.92 1xeb n GLU 98 N -0.08 0.00 0.16 3.23 1.02 -1.03 0.64 120.64 124.58 1xeb n GLU 98 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 1xeb n GLU 98 Cb 0.00 0.00 0.29 0.00 -0.02 0.00 0.00 31.44 31.71 1xeb n GLU 98 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xeb h ARG 99 N 0.00 0.05 0.63 3.49 3.08 -1.30 -1.67 114.38 118.66 1xeb h ARG 99 Ca 0.00 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1xeb h ARG 99 Cb 0.00 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 1xeb h ARG 99 CO 0.00 0.47 -0.30 0.00 -1.07 0.00 0.00 179.97 179.07 1xeb h ALA 100 N 1.53 -0.85 -0.67 0.04 0.00 -0.01 0.57 119.26 119.87 1xeb h ALA 100 Ca 0.00 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.79 1xeb h ALA 100 Cb 0.77 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 1xeb h ALA 100 CO 0.06 -0.87 0.31 -0.07 0.00 0.00 0.00 179.25 178.68 1xeb h LEU 101 N -1.06 0.39 -1.17 0.00 4.07 -1.78 0.23 115.31 115.99 1xeb h LEU 101 Ca -0.09 0.06 0.06 0.00 0.08 0.00 0.00 57.88 57.99 1xeb h LEU 101 Cb 0.70 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.38 1xeb h LEU 101 CO 0.14 0.22 0.57 -0.61 -1.08 0.00 0.00 178.44 177.69 1xeb h GLN 102 N 0.54 0.99 0.00 1.13 4.15 -1.09 -1.47 115.11 119.36 1xeb h GLN 102 Ca 0.33 -0.06 -0.18 0.00 0.77 0.00 0.00 58.65 59.51 1xeb h GLN 102 Cb 0.36 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 1xeb h GLN 102 CO -0.27 0.65 -0.83 0.00 -1.93 0.00 0.00 178.83 176.45 1xeb h ALA 103 N 1.51 0.63 -0.85 3.38 0.00 0.29 -3.19 119.26 121.03 1xeb h ALA 103 Ca 0.37 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1xeb h ALA 103 Cb 0.16 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1xeb h ALA 103 CO -0.13 0.99 0.51 0.00 0.00 0.00 0.00 179.25 180.61 1xeb h ALA 104 N 1.13 1.29 -0.12 0.00 0.00 0.38 -2.41 119.26 119.54 1xeb h ALA 104 Ca -0.02 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 1xeb h ALA 104 Cb 1.45 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1xeb h ALA 104 CO 0.11 0.60 -0.68 1.49 0.00 0.00 0.00 179.25 180.78 1xeb h GLU 105 N 1.17 0.48 -0.00 0.00 4.81 -1.45 0.12 114.58 119.72 1xeb h GLU 105 Ca 0.31 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1xeb h GLU 105 Cb -0.04 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1xeb h GLU 105 CO -0.06 0.99 -0.09 2.89 -0.73 0.00 0.00 179.01 182.02 1xeb n ARG 106 N -3.88 0.34 -0.08 1.92 1.85 -1.14 -2.56 116.66 113.11 1xeb n ARG 106 Ca -0.04 -0.07 -0.10 0.00 -1.00 0.00 0.00 57.85 56.64 1xeb n ARG 106 Cb 0.68 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 30.51 1xeb n ARG 106 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1xeb n LEU 107 N -1.27 2.35 -3.16 2.89 4.77 -0.92 -4.84 117.00 116.82 1xeb n LEU 107 Ca 0.11 -0.07 -0.20 0.00 -0.03 0.00 0.00 56.01 55.82 1xeb n LEU 107 Cb 0.29 -0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 40.93 1xeb n LEU 107 CO 0.26 0.68 -0.18 0.79 -1.33 0.00 0.00 177.39 177.61 1xeb n TRP 108 N -2.88 -1.55 -1.58 -1.77 8.01 0.42 -5.10 117.44 112.99 1xeb n TRP 108 Ca -0.28 -2.87 -0.49 0.00 -1.31 0.00 0.00 57.50 52.56 1xeb n TRP 108 Cb 0.84 0.45 -0.04 0.00 -2.01 0.00 0.00 31.31 30.55 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 2.34 1.57 0.00 -0.99 7.94 -1.06 -2.23 117.00 124.57 1xeb n LEU 109 Ca 0.23 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.28 1xeb n LEU 109 Cb 0.52 -1.22 0.00 0.00 0.53 0.00 0.00 43.42 43.25 1xeb n LEU 109 CO 0.09 -1.29 0.00 0.47 -1.11 0.00 0.00 177.39 175.54 1xeb n ASP 110 N 1.98 0.00 -4.71 1.96 10.43 -1.26 -4.95 116.55 120.00 1xeb n ASP 110 Ca 0.15 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 57.09 1xeb n ASP 110 Cb 0.25 -0.58 -0.03 0.00 1.84 0.00 0.00 41.12 42.60 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 -1.18 2.76 0.61 -3.53 2.01 -0.95 -4.96 115.64 110.40 1xeb s THR 111 Ca 0.00 0.49 -0.18 0.00 0.31 0.00 0.00 61.69 62.31 1xeb s THR 111 Cb 0.00 -3.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.17 1xeb s THR 111 CO 0.00 0.03 1.21 -2.16 -0.69 0.00 0.00 174.62 173.01 1xeb s PRO 112 N 1.45 2.90 -0.08 4.92 0.04 -1.26 -4.80 135.00 138.16 1xeb s PRO 112 Ca 0.70 1.83 0.02 0.00 0.04 0.00 0.00 61.00 63.59 1xeb s PRO 112 Cb -0.42 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.17 1xeb s PRO 112 CO 0.31 -1.27 -0.12 0.08 0.04 0.00 0.00 177.00 176.05 1xeb s VAL 113 N -1.61 3.22 0.15 -0.36 1.01 0.13 -1.72 120.40 121.22 1xeb s VAL 113 Ca 0.78 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 62.19 1xeb s VAL 113 Cb -0.31 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1xeb s VAL 113 CO 0.34 0.57 -0.17 -0.47 0.00 0.00 0.00 175.10 175.37 1xeb s TYR 114 N -0.36 1.72 -0.07 5.22 6.14 0.12 0.12 117.35 130.23 1xeb s TYR 114 Ca 0.04 -0.49 -0.28 0.00 0.64 0.00 0.00 57.07 56.98 1xeb s TYR 114 Cb -0.12 -0.87 0.06 0.00 0.42 0.00 0.00 41.96 41.45 1xeb s TYR 114 CO 0.02 0.28 0.63 -0.48 0.64 0.00 0.00 175.55 176.64 1xeb s LEU 115 N -2.58 -0.45 -0.77 6.97 -0.00 -1.26 -0.86 118.68 119.73 1xeb s LEU 115 Ca 0.14 0.73 -0.16 0.00 -0.00 0.00 0.00 54.13 54.83 1xeb s LEU 115 Cb -0.06 2.34 0.17 0.00 -0.00 0.00 0.00 46.19 48.65 1xeb s LEU 115 CO 0.06 -0.54 0.79 -0.44 -0.00 0.00 0.00 176.35 176.22 1xeb s SER 116 N -1.00 6.55 0.36 1.48 0.01 -1.26 -4.57 113.70 115.27 1xeb s SER 116 Ca -0.10 -2.21 -0.17 0.00 1.31 0.00 0.00 55.95 54.78 1xeb s SER 116 Cb -0.01 -2.27 -0.10 0.00 0.21 0.00 0.00 66.02 63.85 1xeb s SER 116 CO 0.08 -0.81 0.81 0.00 0.41 0.00 0.00 173.24 173.72 1xeb s ALA 117 N 1.34 3.23 0.31 1.44 0.00 -0.90 -4.86 121.76 122.31 1xeb s ALA 117 Ca 0.18 0.16 -0.29 0.00 0.00 0.00 0.00 51.96 52.01 1xeb s ALA 117 Cb -0.14 -2.90 -0.10 0.00 0.00 0.00 0.00 23.12 19.98 1xeb s ALA 117 CO -0.05 0.27 1.28 -0.65 0.00 0.00 0.00 175.76 176.61 1xeb s GLN 118 N -3.02 4.40 0.37 0.00 -0.21 -1.26 -0.47 119.66 119.46 1xeb s GLN 118 Ca 0.56 2.14 0.13 0.00 0.02 0.00 0.00 55.36 58.21 1xeb s GLN 118 Cb -0.10 -3.10 0.94 0.00 1.00 0.00 0.00 33.01 31.75 1xeb s GLN 118 CO 0.16 -0.14 1.81 0.00 -2.12 0.00 0.00 175.29 175.00 1xeb h ALA 119 N 3.67 1.99 0.00 6.09 0.00 -1.12 -0.48 119.26 129.41 1xeb h ALA 119 Ca -0.48 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1xeb h ALA 119 Cb 1.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1xeb h ALA 119 CO 0.67 -0.34 0.00 -2.39 0.00 0.00 0.00 179.25 177.19 1xeb n HIS 120 N -4.64 0.00 -0.16 0.00 1.44 -1.26 -2.42 115.22 108.18 1xeb n HIS 120 Ca 0.22 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 56.00 1xeb n HIS 120 Cb 0.68 -0.23 0.17 0.00 0.12 0.00 0.00 29.99 30.73 1xeb n HIS 120 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1xeb n LEU 121 N -1.23 3.03 -0.12 2.39 4.77 -0.19 -4.65 117.00 120.99 1xeb n LEU 121 Ca 0.10 -1.94 -0.05 0.00 -0.03 0.00 0.00 56.01 54.09 1xeb n LEU 121 Cb 0.14 -0.26 0.01 0.00 -2.33 0.00 0.00 43.42 40.98 1xeb n LEU 121 CO 0.14 0.75 0.72 -0.61 -1.33 0.00 0.00 177.39 177.06 1xeb h GLN 122 N 2.38 -0.11 -0.37 3.23 4.15 -1.53 -0.43 115.11 122.41 1xeb h GLN 122 Ca 0.00 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.48 1xeb h GLN 122 Cb 0.76 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.42 1xeb h GLN 122 CO 0.00 -0.07 0.08 0.00 -1.93 0.00 0.00 178.83 176.91 1xeb h ALA 123 N 1.18 0.41 0.26 3.38 0.00 -1.84 -1.54 119.26 121.10 1xeb h ALA 123 Ca 0.20 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1xeb h ALA 123 Cb 0.42 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1xeb h ALA 123 CO -0.49 -0.32 -0.43 -0.92 0.00 0.00 0.00 179.25 177.09 1xeb h TYR 124 N 0.21 -1.21 0.00 0.00 5.03 -1.52 -1.78 116.97 117.71 1xeb h TYR 124 Ca 0.18 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.51 1xeb h TYR 124 Cb 0.20 0.49 -0.00 0.00 1.55 0.00 0.00 36.73 38.98 1xeb h TYR 124 CO -0.19 -0.56 -0.01 1.88 -1.32 0.00 0.00 178.16 177.97 1xeb h TYR 125 N -0.76 0.00 -0.15 -3.82 0.05 -0.96 -1.08 116.97 110.25 1xeb h TYR 125 Ca -0.01 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.69 1xeb h TYR 125 Cb 0.73 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.46 1xeb h TYR 125 CO -0.31 0.01 -0.27 0.78 -1.05 0.00 0.00 178.16 177.31 1xeb h GLY 126 N 0.73 0.29 1.73 3.88 0.00 -0.38 -1.98 103.07 107.35 1xeb h GLY 126 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1xeb h GLY 126 CO 0.00 0.21 0.00 0.54 0.00 0.00 0.00 176.54 177.29 1xeb n ARG 127 N -4.14 0.05 -0.14 4.80 5.12 -0.41 -1.17 116.66 120.76 1xeb n ARG 127 Ca -0.01 0.30 0.05 0.00 -1.93 0.00 0.00 57.85 56.27 1xeb n ARG 127 Cb 0.38 -1.50 0.12 0.00 -1.16 0.00 0.00 32.46 30.30 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 -1.37 0.29 0.00 -1.55 4.01 -0.77 -4.97 117.16 112.80 1xeb n TYR 128 Ca 0.02 -0.68 0.00 0.00 -0.16 0.00 0.00 57.90 57.08 1xeb n TYR 128 Cb 0.05 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 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 -0.45 1.99 3.77 2.72 0.00 -0.32 -5.05 105.19 107.85 1xeb n GLY 129 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.47 2.83 0.01 1.61 0.08 -1.05 -4.70 117.98 114.28 1xeb s PHE 130 Ca 0.00 1.33 0.05 0.00 0.12 0.00 0.00 56.93 58.43 1xeb s PHE 130 Cb 0.00 -3.80 -0.01 0.00 -0.57 0.00 0.00 43.02 38.64 1xeb s PHE 130 CO 0.00 -2.32 -0.14 0.08 -0.10 0.00 0.00 175.22 172.74 1xeb s VAL 131 N -1.16 1.15 0.16 -0.44 1.01 -0.37 -4.18 120.40 116.57 1xeb s VAL 131 Ca 0.52 -0.76 -0.32 0.00 0.00 0.00 0.00 61.98 61.43 1xeb s VAL 131 Cb -0.42 -0.98 -0.10 0.00 0.00 0.00 0.00 36.38 34.88 1xeb s VAL 131 CO 0.56 0.22 1.60 0.00 0.00 0.00 0.00 175.10 177.48 1xeb s ALA 132 N -0.51 3.79 -0.65 5.51 0.00 -1.26 -0.88 121.76 127.76 1xeb s ALA 132 Ca 0.04 1.38 0.06 0.00 0.00 0.00 0.00 51.96 53.45 1xeb s ALA 132 Cb -0.06 -3.64 0.01 0.00 0.00 0.00 0.00 23.12 19.43 1xeb s ALA 132 CO 0.00 -0.84 0.55 1.33 0.00 0.00 0.00 175.76 176.80 1xeb n VAL 133 N 4.07 0.00 -4.12 0.00 0.24 0.22 -4.86 118.33 113.88 1xeb n VAL 133 Ca 0.14 -0.45 -0.09 0.00 -2.04 0.00 0.00 64.34 61.91 1xeb n VAL 133 Cb 0.38 1.09 -0.10 0.00 -1.47 0.00 0.00 33.84 33.75 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 -0.90 0.15 0.97 3.34 -4.23 -1.13 -4.96 115.64 108.87 1xeb s THR 134 Ca 0.06 -1.85 -0.14 0.00 -1.18 0.00 0.00 61.69 58.58 1xeb s THR 134 Cb 0.05 -1.82 0.17 0.00 1.34 0.00 0.00 72.50 72.24 1xeb s THR 134 CO 0.14 -0.67 1.17 -0.70 -0.54 0.00 0.00 174.62 174.01 1xeb s GLU 135 N -3.99 0.68 0.29 3.99 2.56 -1.26 -4.42 118.70 116.54 1xeb s GLU 135 Ca 0.17 0.11 -0.28 0.00 0.00 0.00 0.00 54.97 54.97 1xeb s GLU 135 Cb 0.08 -1.80 -0.09 0.00 2.00 0.00 0.00 34.13 34.31 1xeb s GLU 135 CO -0.03 -2.47 0.99 0.54 -0.56 0.00 0.00 175.26 173.73 1xeb s VAL 136 N -3.34 3.93 0.21 3.70 0.11 -1.26 -4.46 120.40 119.29 1xeb s VAL 136 Ca 0.67 1.81 -0.00 0.00 -2.93 0.00 0.00 61.98 61.52 1xeb s VAL 136 Cb -0.12 -4.10 -0.04 0.00 -1.53 0.00 0.00 36.38 30.59 1xeb s VAL 136 CO 0.54 0.33 0.11 -0.72 -3.33 0.00 0.00 175.10 172.03 1xeb s TYR 137 N -1.33 1.26 -0.03 1.54 -0.85 -0.16 -4.96 117.35 112.82 1xeb s TYR 137 Ca 0.46 -1.30 -0.00 0.00 -0.52 0.00 0.00 57.07 55.70 1xeb s TYR 137 Cb -0.25 -0.66 -0.04 0.00 0.38 0.00 0.00 41.96 41.39 1xeb s TYR 137 CO 0.32 -0.53 0.03 -0.51 -1.52 0.00 0.00 175.55 173.33 1xeb s LEU 138 N -3.20 3.65 -0.17 -3.49 1.02 -1.26 -0.51 118.68 114.72 1xeb s LEU 138 Ca 0.37 0.08 -0.04 0.00 0.02 0.00 0.00 54.13 54.56 1xeb s LEU 138 Cb 0.07 -2.03 0.08 0.00 0.02 0.00 0.00 46.19 44.33 1xeb s LEU 138 CO 0.12 0.31 0.27 -0.70 0.02 0.00 0.00 176.35 176.36 1xeb s GLU 139 N -1.42 0.19 -1.46 1.70 2.12 -0.81 -4.82 118.70 114.20 1xeb s GLU 139 Ca 0.19 0.57 -0.08 0.00 0.36 0.00 0.00 54.97 56.00 1xeb s GLU 139 Cb -0.12 -0.42 0.03 0.00 0.26 0.00 0.00 34.13 33.89 1xeb s GLU 139 CO 0.09 -0.44 0.85 -0.25 -0.54 0.00 0.00 175.26 174.97 1xeb n ASP 140 N 5.34 -5.67 -1.40 -1.70 8.00 -1.26 -1.71 116.55 118.15 1xeb n ASP 140 Ca -0.06 -0.48 -0.17 0.00 0.71 0.00 0.00 54.79 54.80 1xeb n ASP 140 Cb 0.50 -4.54 -0.06 0.00 -0.02 0.00 0.00 41.12 37.00 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 -2.71 -5.04 -4.03 -2.24 10.43 -1.26 -4.99 116.55 106.71 1xeb n ASP 141 Ca -0.03 0.35 -0.27 0.00 2.57 0.00 0.00 54.79 57.41 1xeb n ASP 141 Cb 0.57 -4.05 -0.17 0.00 1.84 0.00 0.00 41.12 39.32 1xeb n ASP 141 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 1xeb s ILE 142 N -2.66 1.36 0.25 0.53 1.10 -0.69 -5.11 121.20 115.97 1xeb s ILE 142 Ca 0.00 -0.57 -0.30 0.00 -0.51 0.00 0.00 60.65 59.27 1xeb s ILE 142 Cb 0.00 -1.25 -0.10 0.00 0.15 0.00 0.00 42.46 41.26 1xeb s ILE 142 CO 0.00 0.41 1.45 -2.16 -2.11 0.00 0.00 174.94 172.53 1xeb s PRO 143 N 0.97 4.26 0.17 3.50 0.04 -1.26 -1.93 135.00 140.74 1xeb s PRO 143 Ca -0.08 2.32 0.01 0.00 0.04 0.00 0.00 61.00 63.29 1xeb s PRO 143 Cb -0.15 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1xeb s PRO 143 CO -0.01 -0.44 0.03 -1.01 0.04 0.00 0.00 177.00 175.62 1xeb s HIS 144 N 0.00 1.12 -0.12 0.56 3.76 0.33 -0.63 115.29 120.31 1xeb s HIS 144 Ca 0.60 -1.12 -0.07 0.00 -0.15 0.00 0.00 55.06 54.32 1xeb s HIS 144 Cb -0.42 -0.63 0.05 0.00 1.11 0.00 0.00 32.58 32.68 1xeb s HIS 144 CO 0.43 -0.35 0.28 -1.50 -0.85 0.00 0.00 174.74 172.76 1xeb s ILE 145 N -3.82 -0.03 0.93 0.60 2.07 0.38 -0.99 121.20 120.34 1xeb s ILE 145 Ca 0.26 0.12 -0.14 0.00 -1.41 0.00 0.00 60.65 59.47 1xeb s ILE 145 Cb 0.07 -0.43 0.16 0.00 0.13 0.00 0.00 42.46 42.38 1xeb s ILE 145 CO 0.04 0.05 1.19 -0.83 -1.91 0.00 0.00 174.94 173.48 1xeb s GLY 146 N 1.13 1.63 -0.02 1.50 0.00 -1.26 -2.11 107.32 108.19 1xeb s GLY 146 Ca -0.08 -0.78 -0.29 0.00 0.00 0.00 0.00 44.72 43.57 1xeb s GLY 146 CO -0.08 -0.15 0.90 1.09 0.00 0.00 0.00 173.10 174.86 1xeb s ARG 148 N -5.53 0.79 -0.03 2.90 1.70 -0.06 0.72 118.95 119.45 1xeb s ARG 148 Ca 0.67 -0.27 0.00 0.00 -0.47 0.00 0.00 55.73 55.65 1xeb s ARG 148 Cb -0.10 0.37 0.03 0.00 -0.57 0.00 0.00 34.95 34.67 1xeb s ARG 148 CO 0.52 -0.34 0.02 0.50 -1.08 0.00 0.00 175.30 174.92 1xeb s ARG 149 N -3.01 0.09 0.00 3.89 3.52 0.33 -1.24 118.95 122.54 1xeb s ARG 149 Ca 0.05 0.16 0.00 0.00 -0.13 0.00 0.00 55.73 55.81 1xeb s ARG 149 Cb -0.01 -0.36 0.00 0.00 -1.56 0.00 0.00 34.95 33.02 1xeb s ARG 149 CO -0.08 -0.17 0.00 0.00 -0.81 0.00 0.00 175.30 174.24