#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 4.82 0.51 -1.43 1.01 -0.48 -4.93 116.67 116.16 1xeb s ASP 4 Ca 0.00 -1.67 -0.05 0.00 0.71 0.00 0.00 52.55 51.54 1xeb s ASP 4 Cb 0.00 -1.67 -0.02 0.00 1.01 0.00 0.00 42.92 42.24 1xeb s ASP 4 CO 0.00 -0.32 0.81 0.26 0.21 0.00 0.00 175.17 176.13 1xeb s TRP 5 N 1.11 3.45 -0.29 4.23 0.52 -1.26 -1.31 118.94 125.39 1xeb s TRP 5 Ca 0.00 0.73 -0.24 0.00 0.02 0.00 0.00 56.10 56.61 1xeb s TRP 5 Cb -0.20 -2.44 0.16 0.00 -1.15 0.00 0.00 33.47 29.84 1xeb s TRP 5 CO -0.04 -0.45 1.23 -0.08 0.02 0.00 0.00 176.95 177.62 1xeb s THR 6 N -2.81 0.00 -0.39 2.01 -1.32 -1.26 -4.99 115.64 106.89 1xeb s THR 6 Ca 0.49 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.99 1xeb s THR 6 Cb -0.10 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.00 1xeb s THR 6 CO 0.45 0.00 0.16 0.00 -2.21 0.00 0.00 174.62 173.01 1xeb s LYS 8 N 0.80 3.18 0.41 0.00 1.02 -0.96 -4.86 119.74 119.33 1xeb s LYS 8 Ca 0.14 -0.62 -0.24 0.00 0.02 0.00 0.00 55.97 55.27 1xeb s LYS 8 Cb -0.21 -2.87 -0.08 0.00 -0.52 0.00 0.00 37.83 34.15 1xeb s LYS 8 CO -0.09 0.56 1.11 -1.58 -0.92 0.00 0.00 175.35 174.42 1xeb s HIS 9 N -1.56 3.14 0.12 3.18 5.65 -1.26 -1.14 115.29 123.42 1xeb s HIS 9 Ca 0.32 1.60 0.24 0.00 0.25 0.00 0.00 55.06 57.48 1xeb s HIS 9 Cb -0.12 -3.25 1.32 0.00 -1.18 0.00 0.00 32.58 29.35 1xeb s HIS 9 CO 0.26 -0.99 1.72 1.12 -0.65 0.00 0.00 174.74 176.19 1xeb h HIS 10 N 2.47 0.00 0.00 3.88 2.07 -1.74 0.93 115.15 122.76 1xeb h HIS 10 Ca -0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 1xeb h HIS 10 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 1xeb h HIS 10 CO 0.56 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 175.42 1xeb h ALA 11 N 1.69 1.00 -0.01 6.11 0.00 -1.90 -3.21 119.26 122.94 1xeb h ALA 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xeb h ALA 11 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1xeb h ALA 11 CO 0.00 0.00 -0.47 -0.25 0.00 0.00 0.00 179.25 178.53 1xeb n ASP 12 N -2.91 1.79 -4.72 0.00 8.00 0.32 -4.98 116.55 114.05 1xeb n ASP 12 Ca 0.03 -1.37 -0.38 0.00 0.71 0.00 0.00 54.79 53.78 1xeb n ASP 12 Cb 0.43 0.45 0.05 0.00 -0.02 0.00 0.00 41.12 42.03 1xeb n ASP 12 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1xeb n LEU 13 N -0.23 5.16 -4.92 0.64 4.77 -1.21 -5.01 117.00 116.20 1xeb n LEU 13 Ca 0.09 0.94 -0.20 0.00 -0.03 0.00 0.00 56.01 56.81 1xeb n LEU 13 Cb 0.44 -1.54 -0.02 0.00 -2.33 0.00 0.00 43.42 39.97 1xeb n LEU 13 CO 0.29 -0.86 -0.03 0.42 -1.33 0.00 0.00 177.39 175.88 1xeb s THR 14 N -1.33 4.05 0.23 -5.08 -4.23 -1.26 -4.94 115.64 103.09 1xeb s THR 14 Ca 0.73 -1.17 -0.06 0.00 -1.18 0.00 0.00 61.69 60.01 1xeb s THR 14 Cb -0.42 -3.38 0.19 0.00 1.34 0.00 0.00 72.50 70.23 1xeb s THR 14 CO 0.48 -0.20 1.80 -0.07 -0.54 0.00 0.00 174.62 176.09 1xeb h LEU 15 N 1.12 0.58 -0.94 4.79 3.38 -1.99 -1.09 115.31 121.15 1xeb h LEU 15 Ca -0.46 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.50 1xeb h LEU 15 Cb 1.25 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 1xeb h LEU 15 CO 0.57 0.34 0.13 0.11 0.09 0.00 0.00 178.44 179.67 1xeb h LYS 16 N 0.71 0.90 0.19 1.13 1.79 -1.98 -0.31 116.57 118.99 1xeb h LYS 16 Ca 0.36 -0.20 -0.01 0.00 -2.18 0.00 0.00 60.65 58.63 1xeb h LYS 16 Cb 0.33 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1xeb h LYS 16 CO -0.24 0.82 -0.09 0.93 -1.08 0.00 0.00 179.45 179.78 1xeb h GLU 17 N 0.87 -0.24 -0.02 3.15 5.08 -1.73 0.28 114.58 121.96 1xeb h GLU 17 Ca 0.19 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.58 1xeb h GLU 17 Cb 0.33 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1xeb h GLU 17 CO 0.00 0.04 -0.09 1.25 -1.00 0.00 0.00 179.01 179.21 1xeb h LEU 18 N -0.51 -0.26 0.10 1.33 6.46 -1.12 0.14 115.31 121.45 1xeb h LEU 18 Ca -0.03 0.04 0.02 0.00 -0.12 0.00 0.00 57.88 57.79 1xeb h LEU 18 Cb 0.39 0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 1xeb h LEU 18 CO 0.04 -0.13 -0.20 0.22 -0.62 0.00 0.00 178.44 177.76 1xeb h TYR 19 N -0.14 -0.51 -0.28 1.25 5.03 -1.04 -1.80 116.97 119.47 1xeb h TYR 19 Ca 0.04 0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.43 1xeb h TYR 19 Cb 0.20 0.21 -0.08 0.00 1.55 0.00 0.00 36.73 38.62 1xeb h TYR 19 CO -0.17 -0.28 -0.27 0.00 -1.32 0.00 0.00 178.16 176.12 1xeb h ALA 20 N 0.45 -0.15 -0.32 1.82 0.00 0.08 0.12 119.26 121.26 1xeb h ALA 20 Ca 0.03 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1xeb h ALA 20 Cb 0.39 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1xeb h ALA 20 CO -0.11 -0.69 0.04 1.37 0.00 0.00 0.00 179.25 179.85 1xeb h LEU 21 N -0.26 0.43 -0.31 0.00 8.10 -0.58 -1.65 115.31 121.04 1xeb h LEU 21 Ca 0.15 -0.06 -0.20 0.00 0.11 0.00 0.00 57.88 57.88 1xeb h LEU 21 Cb 0.49 -0.11 0.00 0.00 -0.44 0.00 0.00 40.66 40.60 1xeb h LEU 21 CO -0.43 0.47 -0.69 -0.07 -4.11 0.00 0.00 178.44 173.62 1xeb h LEU 22 N 0.46 0.77 -0.35 0.17 3.38 -0.52 -1.92 115.31 117.30 1xeb h LEU 22 Ca 0.11 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1xeb h LEU 22 Cb 0.24 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1xeb h LEU 22 CO 0.00 1.24 0.18 -0.61 0.09 0.00 0.00 178.44 179.34 1xeb h GLN 23 N 0.47 0.50 0.01 1.13 -0.00 -0.26 0.28 115.11 117.23 1xeb h GLN 23 Ca -0.02 -0.07 -0.00 0.00 -0.00 0.00 0.00 58.65 58.56 1xeb h GLN 23 Cb 1.28 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 28.67 1xeb h GLN 23 CO 0.13 0.43 -0.00 1.25 0.00 0.00 0.00 178.83 180.64 1xeb h LEU 24 N 0.43 -0.01 -2.03 -2.39 5.85 -1.34 -1.21 115.31 114.62 1xeb h LEU 24 Ca 0.12 -0.26 0.11 0.00 0.84 0.00 0.00 57.88 58.69 1xeb h LEU 24 Cb 0.09 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1xeb h LEU 24 CO -0.02 0.25 0.28 0.03 -0.34 0.00 0.00 178.44 178.65 1xeb h ARG 25 N -0.27 0.00 0.13 1.25 3.08 -1.19 -1.72 114.38 115.66 1xeb h ARG 25 Ca -0.00 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 1xeb h ARG 25 Cb 0.27 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.34 1xeb h ARG 25 CO 0.00 0.00 -0.94 1.15 -1.07 0.00 0.00 179.97 179.11 1xeb h THR 26 N 0.00 1.43 -0.05 2.04 2.02 -0.58 -2.76 112.91 115.01 1xeb h THR 26 Ca 0.18 -2.47 -0.05 0.00 0.77 0.00 0.00 66.41 64.84 1xeb h THR 26 Cb 0.73 3.00 -0.01 0.00 -1.74 0.00 0.00 68.15 70.13 1xeb h THR 26 CO -0.00 0.72 -0.21 1.05 0.37 0.00 0.00 175.52 177.45 1xeb h GLU 27 N -0.15 0.08 0.00 6.66 4.11 -0.35 0.79 114.58 125.72 1xeb h GLU 27 Ca -0.16 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.26 1xeb h GLU 27 Cb 1.71 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.95 1xeb h GLU 27 CO 0.18 0.28 -0.16 0.28 0.07 0.00 0.00 179.01 179.66 1xeb h VAL 28 N 0.07 0.00 -0.35 -1.06 2.07 -1.53 0.19 116.25 115.64 1xeb h VAL 28 Ca 0.01 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1xeb h VAL 28 Cb 0.41 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 1xeb h VAL 28 CO 0.03 0.00 0.14 -0.26 0.02 0.00 0.00 177.57 177.50 1xeb h PHE 29 N -0.43 0.54 0.06 1.57 -1.00 -1.61 0.13 116.94 116.19 1xeb h PHE 29 Ca 0.00 -0.04 -0.21 0.00 2.81 0.00 0.00 57.97 60.53 1xeb h PHE 29 Cb 0.16 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.55 1xeb h PHE 29 CO -0.07 0.49 -1.08 0.28 -1.61 0.00 0.00 178.31 176.32 1xeb h VAL 30 N 0.43 1.16 0.00 -0.55 2.07 -1.19 -3.34 116.25 114.82 1xeb h VAL 30 Ca 0.12 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.31 1xeb h VAL 30 Cb 0.18 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1xeb h VAL 30 CO -0.01 0.57 -0.06 0.58 0.02 0.00 0.00 177.57 178.67 1xeb h VAL 31 N -0.64 0.00 0.00 2.57 2.07 -0.89 -0.89 116.25 118.48 1xeb h VAL 31 Ca -0.25 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1xeb h VAL 31 Cb 1.48 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1xeb h VAL 31 CO -0.03 0.00 0.00 1.05 0.02 0.00 0.00 177.57 178.61 1xeb h GLU 32 N -0.20 0.00 -0.04 1.57 4.11 -0.56 -0.65 114.58 118.80 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 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1xeb h GLU 32 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 179.01 180.12 1xeb n GLN 33 N -2.90 2.01 -3.55 1.06 6.02 0.44 -5.00 117.38 115.47 1xeb n GLN 33 Ca -0.00 -1.47 -0.26 0.00 -0.01 0.00 0.00 57.00 55.25 1xeb n GLN 33 Cb 0.21 -1.47 0.05 0.00 1.02 0.00 0.00 30.24 30.05 1xeb n GLN 33 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1xeb n LYS 34 N 0.78 -1.45 -3.57 -1.09 3.00 -0.25 -4.95 118.16 110.63 1xeb n LYS 34 Ca 0.17 0.62 -0.27 0.00 -0.00 0.00 0.00 58.31 58.82 1xeb n LYS 34 Cb 0.48 -4.52 -0.16 0.00 0.00 0.00 0.00 35.03 30.83 1xeb n LYS 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xeb n PRO 36 N 5.27 2.80 -3.98 0.00 -0.04 -1.26 -4.43 135.00 133.36 1xeb n PRO 36 Ca -0.06 -1.90 -0.23 0.00 -0.04 0.00 0.00 63.50 61.27 1xeb n PRO 36 Cb 0.45 -2.71 -0.06 0.00 -0.04 0.00 0.00 33.50 31.15 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 2.98 2.73 -0.77 0.54 1.13 -1.26 -5.04 117.35 117.64 1xeb s TYR 37 Ca 0.54 -0.41 -0.26 0.00 -1.41 0.00 0.00 57.07 55.53 1xeb s TYR 37 Cb 0.14 -1.79 0.01 0.00 -1.10 0.00 0.00 41.96 39.22 1xeb s TYR 37 CO -0.04 0.23 1.59 -1.14 -2.51 0.00 0.00 175.55 173.67 1xeb s GLN 38 N -3.92 2.99 0.27 -3.49 2.00 -1.26 -4.81 119.66 111.44 1xeb s GLN 38 Ca 0.40 -0.14 0.04 0.00 -2.00 0.00 0.00 55.36 53.66 1xeb s GLN 38 Cb -0.02 -4.58 0.36 0.00 0.80 0.00 0.00 33.01 29.57 1xeb s GLN 38 CO 0.24 -2.52 1.65 1.49 -0.50 0.00 0.00 175.29 175.65 1xeb h GLU 39 N 11.71 0.35 -4.54 1.67 4.57 -1.96 -3.33 114.58 123.06 1xeb h GLU 39 Ca -0.14 -0.17 -0.74 0.00 -1.18 0.00 0.00 59.36 57.13 1xeb h GLU 39 Cb 1.07 0.00 -0.16 0.00 -0.16 0.00 0.00 28.75 29.50 1xeb h GLU 39 CO 1.28 0.71 1.64 0.28 -1.18 0.00 0.00 179.01 181.74 1xeb n VAL 40 N -4.02 4.23 1.12 0.32 0.31 -1.26 -4.81 118.33 114.21 1xeb n VAL 40 Ca -0.02 -4.55 0.10 0.00 -0.01 0.00 0.00 64.34 59.87 1xeb n VAL 40 Cb 0.50 -2.43 0.56 0.00 -0.91 0.00 0.00 33.84 31.56 1xeb n VAL 40 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1xeb n ASP 41 N 5.48 0.00 0.00 4.52 3.85 -1.25 -4.88 116.55 124.26 1xeb n ASP 41 Ca 0.39 -0.30 0.00 0.00 -0.71 0.00 0.00 54.79 54.17 1xeb n ASP 41 Cb 0.41 -0.16 0.00 0.00 -1.35 0.00 0.00 41.12 40.03 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 0.38 0.59 0.92 6.12 0.00 -1.26 -4.90 105.19 107.04 1xeb n GLY 42 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 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 2.93 0.09 0.99 4.77 -1.26 -4.56 117.00 119.96 1xeb n LEU 43 Ca 0.00 -1.11 -0.12 0.00 -0.03 0.00 0.00 56.01 54.74 1xeb n LEU 43 Cb 0.00 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 40.93 1xeb n LEU 43 CO 0.00 0.53 0.06 0.44 -1.33 0.00 0.00 177.39 177.09 1xeb h ASP 44 N 4.26 0.31 -1.53 -1.43 3.45 -1.98 -3.38 116.42 116.10 1xeb h ASP 44 Ca 0.00 -0.31 -0.62 0.00 0.43 0.00 0.00 57.03 56.54 1xeb h ASP 44 Cb 0.92 -0.10 -0.40 0.00 -0.56 0.00 0.00 39.33 39.19 1xeb h ASP 44 CO 0.00 1.20 -0.43 0.18 -1.57 0.00 0.00 179.24 178.62 1xeb n LEU 45 N -3.53 5.21 -4.09 1.55 4.77 -1.26 -4.73 117.00 114.92 1xeb n LEU 45 Ca -0.06 -5.12 -0.09 0.00 -0.03 0.00 0.00 56.01 50.72 1xeb n LEU 45 Cb 0.95 -0.55 -0.10 0.00 -2.33 0.00 0.00 43.42 41.39 1xeb n LEU 45 CO 0.51 2.15 -0.37 0.68 -1.33 0.00 0.00 177.39 179.03 1xeb s VAL 46 N -5.39 0.33 0.00 4.08 -7.23 -1.26 -5.05 120.40 105.87 1xeb s VAL 46 Ca 0.49 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 59.03 1xeb s VAL 46 Cb 0.41 -1.28 0.00 0.00 0.56 0.00 0.00 36.38 36.07 1xeb s VAL 46 CO -0.21 -0.84 0.00 0.61 -0.31 0.00 0.00 175.10 174.35 1xeb n GLY 47 N 0.42 2.91 1.88 2.32 0.00 -1.26 -2.24 105.19 109.21 1xeb n GLY 47 Ca -0.16 0.27 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 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 4.43 3.15 -4.77 1.61 8.00 -1.26 -4.94 116.55 122.78 1xeb n ASP 48 Ca 0.00 -3.22 -0.39 0.00 0.71 0.00 0.00 54.79 51.89 1xeb n ASP 48 Cb 0.00 -0.41 -0.01 0.00 -0.02 0.00 0.00 41.12 40.69 1xeb n ASP 48 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1xeb s THR 49 N -3.72 2.82 0.20 -3.53 -4.23 -0.95 -4.35 115.64 101.89 1xeb s THR 49 Ca 0.41 0.69 0.10 0.00 -1.18 0.00 0.00 61.69 61.71 1xeb s THR 49 Cb 0.38 -3.39 -0.04 0.00 1.34 0.00 0.00 72.50 70.79 1xeb s THR 49 CO -0.02 0.07 -0.11 -1.00 -0.54 0.00 0.00 174.62 173.02 1xeb s HIS 50 N -1.35 2.57 -0.20 3.99 3.76 0.63 -2.25 115.29 122.44 1xeb s HIS 50 Ca 0.59 -0.25 0.01 0.00 -0.15 0.00 0.00 55.06 55.26 1xeb s HIS 50 Cb -0.34 -1.23 0.04 0.00 1.11 0.00 0.00 32.58 32.16 1xeb s HIS 50 CO 0.43 0.54 -0.09 -1.01 -0.85 0.00 0.00 174.74 173.77 1xeb s HIS 51 N -1.85 2.31 0.22 1.40 3.76 -0.30 -1.54 115.29 119.29 1xeb s HIS 51 Ca 0.26 -1.54 -0.00 0.00 -0.15 0.00 0.00 55.06 53.62 1xeb s HIS 51 Cb -0.08 -1.58 -0.04 0.00 1.11 0.00 0.00 32.58 31.98 1xeb s HIS 51 CO 0.15 -0.73 0.40 -1.17 -0.85 0.00 0.00 174.74 172.54 1xeb s LEU 52 N 1.43 4.21 -0.30 0.89 2.96 -0.81 -2.28 118.68 124.78 1xeb s LEU 52 Ca -0.02 0.39 -0.07 0.00 -0.22 0.00 0.00 54.13 54.22 1xeb s LEU 52 Cb -0.16 -3.17 0.17 0.00 0.50 0.00 0.00 46.19 43.53 1xeb s LEU 52 CO -0.08 -0.07 0.73 0.00 -1.32 0.00 0.00 176.35 175.62 1xeb s ALA 54 N -1.91 -2.46 -0.10 5.97 0.00 -0.23 -2.25 121.76 120.78 1xeb s ALA 54 Ca 0.38 1.92 -0.09 0.00 0.00 0.00 0.00 51.96 54.18 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 0.30 -1.21 0.19 -1.58 0.00 0.00 0.00 175.76 173.46 1xeb s TRP 55 N 2.83 3.62 -0.53 0.00 0.52 -0.42 -0.74 118.94 124.22 1xeb s TRP 55 Ca 0.08 0.62 0.04 0.00 0.02 0.00 0.00 56.10 56.86 1xeb s TRP 55 Cb -0.12 -2.01 0.16 0.00 -1.15 0.00 0.00 33.47 30.34 1xeb s TRP 55 CO -0.18 0.71 0.38 0.50 0.02 0.00 0.00 176.95 178.37 1xeb s ARG 56 N -1.01 1.60 -0.52 4.98 6.06 0.45 -1.39 118.95 129.12 1xeb s ARG 56 Ca 0.17 -2.57 -0.18 0.00 -2.50 0.00 0.00 55.73 50.65 1xeb s ARG 56 Cb -0.13 -2.41 0.02 0.00 0.06 0.00 0.00 34.95 32.49 1xeb s ARG 56 CO 0.06 -1.30 0.63 -0.25 -2.50 0.00 0.00 175.30 171.95 1xeb n ASP 57 N 2.67 -7.06 0.00 -2.12 8.00 -1.26 -3.48 116.55 113.29 1xeb n ASP 57 Ca 0.21 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.84 1xeb n ASP 57 Cb 0.40 -4.13 0.00 0.00 -0.02 0.00 0.00 41.12 37.36 1xeb n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xeb n GLY 58 N -0.63 0.43 2.90 0.44 0.00 -1.26 -5.00 105.19 102.07 1xeb n GLY 58 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.58 0.06 -0.19 1.61 -0.21 -1.23 -5.12 119.66 114.01 1xeb s GLN 59 Ca 0.00 0.29 -0.29 0.00 0.02 0.00 0.00 55.36 55.38 1xeb s GLN 59 Cb 0.00 -0.16 -0.00 0.00 1.00 0.00 0.00 33.01 33.85 1xeb s GLN 59 CO 0.00 -0.14 1.13 -1.17 -2.12 0.00 0.00 175.29 172.99 1xeb s LEU 60 N 0.97 4.14 -0.14 2.90 1.98 -1.26 -0.41 118.68 126.86 1xeb s LEU 60 Ca -0.08 1.52 0.09 0.00 -2.89 0.00 0.00 54.13 52.78 1xeb s LEU 60 Cb -0.10 -3.54 -0.15 0.00 0.66 0.00 0.00 46.19 43.06 1xeb s LEU 60 CO -0.04 -0.69 0.00 0.18 -1.89 0.00 0.00 176.35 173.91 1xeb n LEU 61 N 6.34 0.65 -3.94 -0.68 4.77 0.08 -4.72 117.00 119.50 1xeb n LEU 61 Ca 0.13 -0.02 -0.16 0.00 -0.03 0.00 0.00 56.01 55.92 1xeb n LEU 61 Cb 0.46 0.12 -0.15 0.00 -2.33 0.00 0.00 43.42 41.52 1xeb n LEU 61 CO 0.54 0.42 -0.40 0.00 -1.33 0.00 0.00 177.39 176.62 1xeb s ALA 62 N -2.32 0.44 -0.14 -1.18 0.00 -1.18 0.18 121.76 117.56 1xeb s ALA 62 Ca -0.10 -0.16 -0.21 0.00 0.00 0.00 0.00 51.96 51.50 1xeb s ALA 62 Cb 0.04 -0.17 0.05 0.00 0.00 0.00 0.00 23.12 23.05 1xeb s ALA 62 CO 0.50 0.07 0.53 -0.47 0.00 0.00 0.00 175.76 176.39 1xeb s TYR 63 N 0.12 -0.54 0.07 0.00 5.04 0.54 -1.07 117.35 121.51 1xeb s TYR 63 Ca -0.01 1.18 -0.18 0.00 -2.44 0.00 0.00 57.07 55.63 1xeb s TYR 63 Cb -0.05 0.23 0.04 0.00 0.35 0.00 0.00 41.96 42.53 1xeb s TYR 63 CO -0.00 -0.37 0.41 -0.48 -1.34 0.00 0.00 175.55 173.77 1xeb s LEU 64 N -0.29 0.38 0.09 6.97 0.05 -0.96 0.65 118.68 125.56 1xeb s LEU 64 Ca -0.05 -0.10 0.07 0.00 0.05 0.00 0.00 54.13 54.10 1xeb s LEU 64 Cb -0.03 1.79 -0.04 0.00 -2.05 0.00 0.00 46.19 45.86 1xeb s LEU 64 CO 0.03 -0.73 -0.13 -0.60 -0.55 0.00 0.00 176.35 174.38 1xeb s ARG 65 N -2.93 2.09 -0.13 1.48 3.52 0.40 -1.93 118.95 121.45 1xeb s ARG 65 Ca -0.02 -1.02 0.01 0.00 -0.13 0.00 0.00 55.73 54.57 1xeb s ARG 65 Cb 0.00 -2.27 0.02 0.00 -1.56 0.00 0.00 34.95 31.14 1xeb s ARG 65 CO -0.06 0.52 -0.16 -0.51 -0.81 0.00 0.00 175.30 174.29 1xeb s LEU 66 N -1.99 1.75 -0.16 -0.88 1.02 -0.59 -1.84 118.68 115.99 1xeb s LEU 66 Ca 0.19 -0.48 -0.09 0.00 0.02 0.00 0.00 54.13 53.77 1xeb s LEU 66 Cb -0.11 -1.17 -0.05 0.00 0.02 0.00 0.00 46.19 44.88 1xeb s LEU 66 CO 0.11 -0.01 0.15 -0.76 0.02 0.00 0.00 176.35 175.86 1xeb s LEU 67 N 1.20 4.29 0.34 1.79 1.02 -0.28 -0.27 118.68 126.78 1xeb s LEU 67 Ca -0.01 0.36 -0.28 0.00 0.02 0.00 0.00 54.13 54.22 1xeb s LEU 67 Cb -0.14 -2.12 -0.10 0.00 0.02 0.00 0.00 46.19 43.86 1xeb s LEU 67 CO -0.06 0.27 1.24 1.51 0.02 0.00 0.00 176.35 179.33 1xeb s ASP 68 N -0.23 6.78 0.23 2.29 -4.77 -1.26 -2.33 116.67 117.38 1xeb s ASP 68 Ca 0.12 2.54 -0.07 0.00 -3.30 0.00 0.00 52.55 51.84 1xeb s ASP 68 Cb -0.12 -2.64 0.41 0.00 -1.09 0.00 0.00 42.92 39.49 1xeb s ASP 68 CO 0.01 -0.51 1.69 1.55 0.70 0.00 0.00 175.17 178.61 1xeb h PRO 69 N 3.26 0.25 -0.55 2.11 0.13 -1.91 -2.68 132.00 132.60 1xeb h PRO 69 Ca -0.48 -0.01 0.09 0.00 -0.87 0.00 0.00 66.00 64.72 1xeb h PRO 69 Cb 1.23 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 1xeb h PRO 69 CO 0.65 0.16 0.37 0.28 -0.23 0.00 0.00 178.00 179.23 1xeb h VAL 70 N 0.25 0.91 -0.27 1.56 2.07 -1.93 0.31 116.25 119.16 1xeb h VAL 70 Ca 0.39 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.78 1xeb h VAL 70 Cb 0.64 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1xeb h VAL 70 CO -0.49 0.07 0.00 0.54 0.02 0.00 0.00 177.57 177.71 1xeb n ARG 71 N -4.47 1.75 -2.92 1.57 1.74 -1.01 -4.32 116.66 109.01 1xeb n ARG 71 Ca 0.08 -1.16 -0.13 0.00 -0.77 0.00 0.00 57.85 55.88 1xeb n ARG 71 Cb 0.34 -1.32 0.03 0.00 -1.02 0.00 0.00 32.46 30.49 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 0.41 -0.61 -4.16 -1.55 8.25 0.02 -5.01 115.22 112.57 1xeb n HIS 72 Ca 0.13 -3.00 -0.33 0.00 -0.26 0.00 0.00 57.72 54.26 1xeb n HIS 72 Cb 0.30 0.29 -0.03 0.00 1.12 0.00 0.00 29.99 31.67 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 0.13 -3.07 -1.50 -0.41 4.71 -1.21 -1.67 120.64 117.62 1xeb n GLU 73 Ca 0.14 0.36 -0.05 0.00 -0.01 0.00 0.00 57.16 57.60 1xeb n GLU 73 Cb 0.72 -4.86 -0.02 0.00 -1.01 0.00 0.00 31.44 26.28 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 -1.62 0.55 2.86 0.62 0.00 -0.72 -5.03 105.19 101.85 1xeb n GLY 74 Ca -0.05 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.10 0.82 0.02 1.61 -0.21 -0.67 -4.45 119.66 113.68 1xeb s GLN 75 Ca 0.00 -0.06 -0.30 0.00 0.02 0.00 0.00 55.36 55.02 1xeb s GLN 75 Cb 0.00 -0.93 -0.04 0.00 1.00 0.00 0.00 33.01 33.05 1xeb s GLN 75 CO 0.00 -0.15 1.04 0.54 -2.12 0.00 0.00 175.29 174.60 1xeb s VAL 76 N 1.24 4.60 -0.23 1.09 0.11 -0.68 -3.97 120.40 122.56 1xeb s VAL 76 Ca -0.06 1.88 -0.07 0.00 -2.93 0.00 0.00 61.98 60.80 1xeb s VAL 76 Cb -0.14 -4.20 -0.03 0.00 -1.53 0.00 0.00 36.38 30.48 1xeb s VAL 76 CO -0.02 0.15 0.05 -0.69 -3.33 0.00 0.00 175.10 171.27 1xeb s VAL 77 N 0.97 4.27 -0.09 2.04 1.01 -0.99 -0.11 120.40 127.51 1xeb s VAL 77 Ca 0.54 -0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.22 1xeb s VAL 77 Cb -0.24 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 1xeb s VAL 77 CO 0.29 0.38 0.25 -0.63 0.00 0.00 0.00 175.10 175.38 1xeb s ILE 78 N 1.29 5.31 0.25 2.22 1.01 0.12 -1.13 121.20 130.28 1xeb s ILE 78 Ca 0.05 0.47 -0.21 0.00 0.00 0.00 0.00 60.65 60.95 1xeb s ILE 78 Cb -0.15 -3.54 0.05 0.00 0.01 0.00 0.00 42.46 38.83 1xeb s ILE 78 CO 0.03 0.57 0.86 -0.83 0.00 0.00 0.00 174.94 175.56 1xeb s GLY 79 N -0.77 -0.01 -1.42 6.18 0.00 -0.77 -4.29 107.32 106.25 1xeb s GLY 79 Ca 0.18 -0.27 -0.08 0.00 0.00 0.00 0.00 44.72 44.54 1xeb s GLY 79 CO 0.07 0.26 0.92 0.54 0.00 0.00 0.00 173.10 174.88 1xeb n ARG 80 N -0.51 -5.68 -2.37 2.90 5.12 -1.26 -0.45 116.66 114.39 1xeb n ARG 80 Ca -0.05 0.64 -0.42 0.00 -1.93 0.00 0.00 57.85 56.09 1xeb n ARG 80 Cb 0.60 -5.45 -0.02 0.00 -1.16 0.00 0.00 32.46 26.42 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 -3.43 3.82 0.07 1.55 1.01 -1.26 -3.83 120.40 118.33 1xeb s VAL 81 Ca 0.40 0.75 0.02 0.00 0.00 0.00 0.00 61.98 63.16 1xeb s VAL 81 Cb -0.20 -4.35 -0.03 0.00 0.00 0.00 0.00 36.38 31.80 1xeb s VAL 81 CO 0.81 -1.03 -0.08 0.54 0.00 0.00 0.00 175.10 175.35 1xeb s VAL 82 N 5.90 0.62 -0.03 2.92 0.11 0.21 -5.00 120.40 125.13 1xeb s VAL 82 Ca 0.56 -1.42 -0.03 0.00 -2.93 0.00 0.00 61.98 58.16 1xeb s VAL 82 Cb -0.12 -1.04 0.01 0.00 -1.53 0.00 0.00 36.38 33.71 1xeb s VAL 82 CO 0.28 -0.57 0.08 -0.94 -3.33 0.00 0.00 175.10 170.62 1xeb s SER 83 N -2.16 -0.07 0.19 3.54 1.04 -1.26 -0.34 113.70 114.64 1xeb s SER 83 Ca -0.01 0.17 -0.32 0.00 0.48 0.00 0.00 55.95 56.26 1xeb s SER 83 Cb -0.04 0.14 -0.15 0.00 0.10 0.00 0.00 66.02 66.07 1xeb s SER 83 CO -0.02 -0.05 1.19 -0.24 0.98 0.00 0.00 173.24 175.10 1xeb n SER 84 N 3.31 1.54 0.20 7.02 2.88 0.47 -4.84 113.62 124.20 1xeb n SER 84 Ca -0.16 1.14 0.05 0.00 -1.33 0.00 0.00 58.87 58.58 1xeb n SER 84 Cb 0.57 -1.25 0.43 0.00 -0.75 0.00 0.00 64.21 63.21 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 3.41 0.00 0.23 -3.46 0.87 -1.98 -2.80 113.55 109.82 1xeb h SER 85 Ca -0.43 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.00 1xeb h SER 85 Cb 1.33 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.28 1xeb h SER 85 CO 0.70 0.32 -0.50 0.00 -0.53 0.00 0.00 176.83 176.83 1xeb h ALA 86 N 1.68 0.94 -0.48 6.23 0.00 -1.98 -3.15 119.26 122.49 1xeb h ALA 86 Ca -0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 1xeb h ALA 86 Cb 0.64 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1xeb h ALA 86 CO 0.04 0.66 0.11 0.00 0.00 0.00 0.00 179.25 180.07 1xeb n ALA 87 N -2.48 3.78 -1.76 0.00 0.00 -1.06 -4.98 120.51 114.02 1xeb n ALA 87 Ca -0.02 -1.52 -0.36 0.00 0.00 0.00 0.00 53.44 51.54 1xeb n ALA 87 Cb 0.55 -1.15 0.03 0.00 0.00 0.00 0.00 19.45 18.88 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 -2.26 3.11 0.00 0.00 1.81 -1.19 -3.13 118.95 117.28 1xeb s ARG 88 Ca 0.39 1.88 0.00 0.00 -1.72 0.00 0.00 55.73 56.28 1xeb s ARG 88 Cb 0.30 -2.04 0.00 0.00 -0.45 0.00 0.00 34.95 32.76 1xeb s ARG 88 CO 0.10 -1.11 0.00 0.41 -0.68 0.00 0.00 175.30 174.03 1xeb n GLY 89 N 0.53 1.80 0.32 -3.53 0.00 -1.26 -4.87 105.19 98.18 1xeb n GLY 89 Ca 0.12 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.21 1xeb n GLY 89 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xeb n GLN 90 N -2.00 1.42 -3.12 1.61 6.02 -1.18 -4.91 117.38 115.21 1xeb n GLN 90 Ca 0.00 -0.64 -0.14 0.00 -0.01 0.00 0.00 57.00 56.22 1xeb n GLN 90 Cb 0.00 -1.25 0.07 0.00 1.02 0.00 0.00 30.24 30.08 1xeb n GLN 90 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xeb n GLY 91 N 0.89 -0.26 0.11 1.08 0.00 -1.26 -4.96 105.19 100.79 1xeb n GLY 91 Ca 0.11 0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.46 0.19 -0.77 0.99 3.38 -1.91 -3.27 115.31 112.46 1xeb h LEU 92 Ca -0.48 -0.74 0.15 0.00 0.09 0.00 0.00 57.88 56.90 1xeb h LEU 92 Cb 1.27 -0.06 -0.15 0.00 0.09 0.00 0.00 40.66 41.81 1xeb h LEU 92 CO 0.40 1.52 -0.21 1.23 0.09 0.00 0.00 178.44 181.47 1xeb h GLY 93 N -0.37 0.51 1.00 0.83 0.00 -1.96 0.85 103.07 103.93 1xeb h GLY 93 Ca -0.30 0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1xeb h GLY 93 CO -0.05 -0.29 0.37 0.45 0.00 0.00 0.00 176.54 177.02 1xeb h HIS 94 N -0.01 0.90 -0.49 5.60 3.86 -1.99 -1.77 115.15 121.25 1xeb h HIS 94 Ca 0.37 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.52 1xeb h HIS 94 Cb 0.57 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 1xeb h HIS 94 CO -0.62 0.64 0.16 1.96 0.86 0.00 0.00 177.93 180.93 1xeb h GLN 95 N 0.90 0.72 -0.08 2.45 4.20 0.08 -1.76 115.11 121.62 1xeb h GLN 95 Ca 0.23 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1xeb h GLN 95 Cb 0.03 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.68 1xeb h GLN 95 CO -0.04 0.63 0.00 1.28 -0.67 0.00 0.00 178.83 180.03 1xeb n LEU 96 N -4.32 0.08 0.00 1.46 4.77 0.24 -1.80 117.00 117.43 1xeb n LEU 96 Ca 0.04 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1xeb n LEU 96 Cb 0.18 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1xeb n LEU 96 CO 0.39 0.02 0.00 1.21 -1.33 0.00 0.00 177.39 177.68 1xeb n GLU 98 N -0.18 0.00 0.20 3.23 2.13 -0.66 0.54 120.64 125.90 1xeb n GLU 98 Ca 0.00 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.88 1xeb n GLU 98 Cb 0.02 0.00 0.38 0.00 0.27 0.00 0.00 31.44 32.11 1xeb n GLU 98 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1xeb h ARG 99 N 0.00 0.00 0.73 5.31 2.43 -1.59 -2.07 114.38 119.19 1xeb h ARG 99 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1xeb h ARG 99 Cb 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1xeb h ARG 99 CO 0.00 0.34 -0.35 0.00 -1.51 0.00 0.00 179.97 178.45 1xeb h ALA 100 N 1.66 -0.98 -0.16 2.80 0.00 -0.13 -2.60 119.26 119.86 1xeb h ALA 100 Ca -0.00 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.74 1xeb h ALA 100 Cb 0.83 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1xeb h ALA 100 CO 0.04 -0.91 0.17 -0.07 0.00 0.00 0.00 179.25 178.49 1xeb h LEU 101 N -1.26 0.00 0.44 0.00 4.07 -1.79 -2.01 115.31 114.75 1xeb h LEU 101 Ca -0.10 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.84 1xeb h LEU 101 Cb 0.75 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.49 1xeb h LEU 101 CO 0.16 0.00 -0.21 -0.61 -1.08 0.00 0.00 178.44 176.70 1xeb h GLN 102 N 0.00 -0.57 -0.05 1.13 4.15 -1.19 -2.66 115.11 115.93 1xeb h GLN 102 Ca 0.08 0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.52 1xeb h GLN 102 Cb 0.42 0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.23 1xeb h GLN 102 CO -0.00 -0.27 -0.03 0.00 -1.93 0.00 0.00 178.83 176.60 1xeb h ALA 103 N -0.43 1.87 -0.12 3.38 0.00 -1.03 -2.42 119.26 120.50 1xeb h ALA 103 Ca -0.06 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xeb h ALA 103 Cb 0.56 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1xeb h ALA 103 CO 0.10 0.10 0.07 0.00 0.00 0.00 0.00 179.25 179.52 1xeb h ALA 104 N 1.91 0.15 -0.48 0.00 0.00 -1.26 0.16 119.26 119.74 1xeb h ALA 104 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xeb h ALA 104 Cb 0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1xeb h ALA 104 CO 0.00 -0.32 0.30 1.49 0.00 0.00 0.00 179.25 180.73 1xeb h GLU 105 N 0.11 0.64 0.00 0.00 4.81 -1.08 0.22 114.58 119.27 1xeb h GLU 105 Ca 0.04 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1xeb h GLU 105 Cb 0.06 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 1xeb h GLU 105 CO -0.01 0.44 -0.11 0.07 -0.73 0.00 0.00 179.01 178.68 1xeb h ARG 106 N 0.66 0.00 -0.89 1.92 0.11 -1.31 -2.13 114.38 112.73 1xeb h ARG 106 Ca 0.18 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.25 1xeb h ARG 106 Cb -0.05 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 30.99 1xeb h ARG 106 CO -0.04 0.82 0.55 -0.07 0.10 0.00 0.00 179.97 181.33 1xeb h LEU 107 N -1.00 1.06 -5.97 0.08 3.38 -0.65 -3.34 115.31 108.88 1xeb h LEU 107 Ca -0.03 -0.06 -0.51 0.00 0.09 0.00 0.00 57.88 57.37 1xeb h LEU 107 Cb 0.85 -0.27 -0.40 0.00 0.09 0.00 0.00 40.66 40.94 1xeb h LEU 107 CO -0.02 0.81 -1.13 0.79 0.09 0.00 0.00 178.44 178.98 1xeb n TRP 108 N -4.41 0.33 -1.54 1.13 8.01 0.75 -5.08 117.44 116.63 1xeb n TRP 108 Ca 0.10 -3.77 -0.51 0.00 -1.31 0.00 0.00 57.50 52.01 1xeb n TRP 108 Cb 0.05 -0.41 -0.05 0.00 -2.01 0.00 0.00 31.31 28.89 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 0.58 0.90 -3.64 -0.99 7.94 -0.80 -2.57 117.00 118.43 1xeb n LEU 109 Ca 0.24 1.14 -0.22 0.00 -1.11 0.00 0.00 56.01 56.06 1xeb n LEU 109 Cb 0.60 -1.12 0.06 0.00 0.53 0.00 0.00 43.42 43.50 1xeb n LEU 109 CO 0.21 -1.58 0.10 0.47 -1.11 0.00 0.00 177.39 175.48 1xeb n ASP 110 N 1.98 -3.40 -4.09 1.96 10.43 -1.26 -5.01 116.55 117.16 1xeb n ASP 110 Ca 0.17 -0.68 -0.27 0.00 2.57 0.00 0.00 54.79 56.58 1xeb n ASP 110 Cb 0.20 -4.59 -0.17 0.00 1.84 0.00 0.00 41.12 38.41 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 -3.42 1.43 0.37 -3.53 2.01 -1.06 -5.11 115.64 106.33 1xeb s THR 111 Ca 0.27 -0.66 -0.28 0.00 0.31 0.00 0.00 61.69 61.33 1xeb s THR 111 Cb -0.13 -1.28 -0.11 0.00 0.01 0.00 0.00 72.50 71.00 1xeb s THR 111 CO 0.77 0.42 1.44 -2.16 -0.69 0.00 0.00 174.62 174.40 1xeb s PRO 112 N 0.53 4.14 -0.10 4.92 0.04 -1.26 -4.77 135.00 138.50 1xeb s PRO 112 Ca -0.15 2.48 -0.06 0.00 0.04 0.00 0.00 61.00 63.31 1xeb s PRO 112 Cb -0.16 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 1xeb s PRO 112 CO 0.05 -0.47 0.13 0.08 0.04 0.00 0.00 177.00 176.83 1xeb s VAL 113 N -1.13 5.37 0.11 -0.36 1.01 -0.20 -1.68 120.40 123.52 1xeb s VAL 113 Ca 0.52 0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.69 1xeb s VAL 113 Cb -0.45 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1xeb s VAL 113 CO 0.60 0.58 -0.18 -0.47 0.00 0.00 0.00 175.10 175.63 1xeb s TYR 114 N -1.05 1.65 -0.10 5.22 6.14 0.85 -0.40 117.35 129.65 1xeb s TYR 114 Ca 0.16 -0.45 -0.30 0.00 0.64 0.00 0.00 57.07 57.12 1xeb s TYR 114 Cb -0.12 -0.88 0.08 0.00 0.42 0.00 0.00 41.96 41.46 1xeb s TYR 114 CO 0.06 0.20 0.75 -0.48 0.64 0.00 0.00 175.55 176.72 1xeb s LEU 115 N -2.12 -0.61 -1.02 6.97 0.05 -1.26 0.16 118.68 120.85 1xeb s LEU 115 Ca 0.07 0.73 -0.11 0.00 0.05 0.00 0.00 54.13 54.88 1xeb s LEU 115 Cb -0.08 2.39 0.25 0.00 -2.05 0.00 0.00 46.19 46.70 1xeb s LEU 115 CO 0.04 -0.52 1.00 -0.55 -0.55 0.00 0.00 176.35 175.78 1xeb s SER 116 N -1.00 7.12 0.46 1.48 0.15 -1.26 -4.55 113.70 116.10 1xeb s SER 116 Ca -0.08 -3.26 -0.18 0.00 0.70 0.00 0.00 55.95 53.13 1xeb s SER 116 Cb -0.01 -2.22 -0.09 0.00 -1.71 0.00 0.00 66.02 62.00 1xeb s SER 116 CO 0.07 -0.40 0.94 0.00 1.20 0.00 0.00 173.24 175.05 1xeb s ALA 117 N -0.67 3.09 0.00 5.45 0.00 -0.79 -4.74 121.76 124.10 1xeb s ALA 117 Ca 0.27 0.23 -0.30 0.00 0.00 0.00 0.00 51.96 52.16 1xeb s ALA 117 Cb -0.10 -3.08 -0.06 0.00 0.00 0.00 0.00 23.12 19.89 1xeb s ALA 117 CO -0.08 -0.03 1.49 -0.65 0.00 0.00 0.00 175.76 176.49 1xeb s GLN 118 N -3.60 4.25 0.04 0.00 -0.21 -1.26 -0.50 119.66 118.37 1xeb s GLN 118 Ca 0.59 2.07 -0.03 0.00 0.02 0.00 0.00 55.36 58.02 1xeb s GLN 118 Cb -0.10 -3.64 0.05 0.00 1.00 0.00 0.00 33.01 30.32 1xeb s GLN 118 CO 0.23 -0.66 0.25 0.00 -2.12 0.00 0.00 175.29 172.99 1xeb n ALA 119 N 5.72 -0.01 0.51 6.09 0.00 -0.99 0.29 120.51 132.13 1xeb n ALA 119 Ca 0.14 0.16 0.06 0.00 0.00 0.00 0.00 53.44 53.81 1xeb n ALA 119 Cb 0.43 -0.08 0.29 0.00 0.00 0.00 0.00 19.45 20.09 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 -4.24 0.00 -0.84 0.00 1.44 -1.26 -2.95 115.22 107.37 1xeb n HIS 120 Ca 0.02 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.81 1xeb n HIS 120 Cb 0.07 -0.39 0.37 0.00 0.12 0.00 0.00 29.99 30.16 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 -1.39 5.23 0.05 2.39 4.77 0.14 -4.55 117.00 123.65 1xeb n LEU 121 Ca 0.05 -2.81 -0.11 0.00 -0.03 0.00 0.00 56.01 53.11 1xeb n LEU 121 Cb 0.12 -0.63 -0.05 0.00 -2.33 0.00 0.00 43.42 40.53 1xeb n LEU 121 CO 0.10 0.69 0.79 1.56 -1.33 0.00 0.00 177.39 179.20 1xeb h GLN 122 N 3.72 -0.19 -0.66 3.23 4.20 -1.70 -1.69 115.11 122.02 1xeb h GLN 122 Ca 0.00 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.79 1xeb h GLN 122 Cb 1.77 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 29.53 1xeb h GLN 122 CO 0.39 -0.12 0.35 0.00 -0.67 0.00 0.00 178.83 178.77 1xeb h ALA 123 N 0.78 0.89 -0.14 3.87 0.00 -1.88 0.72 119.26 123.50 1xeb h ALA 123 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xeb h ALA 123 Cb 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1xeb h ALA 123 CO -0.12 -0.00 0.00 0.98 0.00 0.00 0.00 179.25 180.11 1xeb n TYR 124 N -4.83 0.00 0.26 0.00 -0.00 -0.71 -1.67 117.16 110.22 1xeb n TYR 124 Ca 0.09 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 58.11 1xeb n TYR 124 Cb 0.20 -0.48 0.73 0.00 -0.00 0.00 0.00 39.34 39.80 1xeb n TYR 124 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.86 178.74 1xeb h TYR 125 N 0.00 0.00 -0.22 2.98 0.05 -1.24 -1.35 116.97 117.19 1xeb h TYR 125 Ca 0.00 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.81 1xeb h TYR 125 Cb 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 1xeb h TYR 125 CO -0.40 0.11 0.15 0.78 -1.05 0.00 0.00 178.16 177.75 1xeb h GLY 126 N 0.71 0.21 1.98 3.88 0.00 0.12 0.51 103.07 110.48 1xeb h GLY 126 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1xeb h GLY 126 CO 0.01 0.07 0.00 0.54 0.00 0.00 0.00 176.54 177.16 1xeb n ARG 127 N -4.50 0.01 0.00 4.80 5.12 -0.51 -2.41 116.66 119.18 1xeb n ARG 127 Ca 0.01 0.10 0.11 0.00 -1.93 0.00 0.00 57.85 56.14 1xeb n ARG 127 Cb 0.16 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 29.95 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 -1.49 0.00 0.00 -1.55 4.01 0.17 -4.94 117.16 113.36 1xeb n TYR 128 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1xeb n TYR 128 Cb 0.27 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 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 1.48 1.17 3.82 2.72 0.00 -0.96 -5.06 105.19 108.36 1xeb n GLY 129 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 3.67 -0.01 1.61 0.08 -0.77 -4.27 117.98 116.28 1xeb s PHE 130 Ca 0.00 1.25 0.03 0.00 0.12 0.00 0.00 56.93 58.34 1xeb s PHE 130 Cb 0.00 -2.51 -0.01 0.00 -0.57 0.00 0.00 43.02 39.94 1xeb s PHE 130 CO 0.00 0.42 -0.11 0.08 -0.10 0.00 0.00 175.22 175.51 1xeb s VAL 131 N -1.41 0.91 0.50 -0.44 1.01 -0.10 -4.00 120.40 116.87 1xeb s VAL 131 Ca 0.38 -0.48 -0.23 0.00 0.00 0.00 0.00 61.98 61.66 1xeb s VAL 131 Cb -0.17 -0.77 -0.06 0.00 0.00 0.00 0.00 36.38 35.38 1xeb s VAL 131 CO 0.20 0.26 1.32 0.00 0.00 0.00 0.00 175.10 176.88 1xeb s ALA 132 N -0.17 2.96 0.00 5.51 0.00 -1.26 -0.43 121.76 128.38 1xeb s ALA 132 Ca 0.03 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.24 1xeb s ALA 132 Cb -0.06 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1xeb s ALA 132 CO -0.00 -1.13 0.13 1.33 0.00 0.00 0.00 175.76 176.09 1xeb n VAL 133 N -0.67 0.00 -4.31 0.00 0.24 0.98 -4.83 118.33 109.74 1xeb n VAL 133 Ca 0.08 -0.19 -0.18 0.00 -2.04 0.00 0.00 64.34 62.02 1xeb n VAL 133 Cb 0.45 1.44 -0.06 0.00 -1.47 0.00 0.00 33.84 34.21 1xeb n VAL 133 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1xeb n THR 134 N -0.11 0.00 -1.58 3.34 -2.24 -1.23 -4.97 114.28 107.49 1xeb n THR 134 Ca 0.00 -1.89 -0.09 0.00 -2.27 0.00 0.00 64.05 59.80 1xeb n THR 134 Cb 0.11 0.80 0.06 0.00 -2.10 0.00 0.00 70.33 69.20 1xeb n THR 134 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1xeb n GLU 135 N -0.62 -0.22 -3.37 -0.78 4.07 -1.26 -4.66 120.64 113.80 1xeb n GLU 135 Ca 0.00 -0.74 -0.38 0.00 -0.06 0.00 0.00 57.16 55.99 1xeb n GLU 135 Cb 0.48 -0.39 -0.06 0.00 -0.06 0.00 0.00 31.44 31.41 1xeb n GLU 135 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1xeb s VAL 136 N -1.67 4.86 0.23 6.31 0.11 -1.26 -4.30 120.40 124.69 1xeb s VAL 136 Ca 0.24 1.04 -0.07 0.00 -2.93 0.00 0.00 61.98 60.26 1xeb s VAL 136 Cb -0.01 -3.81 -0.02 0.00 -1.53 0.00 0.00 36.38 31.01 1xeb s VAL 136 CO 0.17 0.55 0.32 -0.72 -3.33 0.00 0.00 175.10 172.09 1xeb s TYR 137 N -1.12 0.78 -0.27 1.54 -0.85 0.26 -4.89 117.35 112.80 1xeb s TYR 137 Ca 0.27 -1.06 -0.14 0.00 -0.52 0.00 0.00 57.07 55.62 1xeb s TYR 137 Cb -0.18 -0.17 -0.04 0.00 0.38 0.00 0.00 41.96 41.95 1xeb s TYR 137 CO 0.17 -0.85 0.31 -0.51 -1.52 0.00 0.00 175.55 173.15 1xeb s LEU 138 N -3.10 4.04 -0.93 -3.49 2.01 -1.26 0.22 118.68 116.17 1xeb s LEU 138 Ca 0.30 0.20 -0.01 0.00 0.01 0.00 0.00 54.13 54.63 1xeb s LEU 138 Cb 0.03 -2.33 0.26 0.00 0.01 0.00 0.00 46.19 44.16 1xeb s LEU 138 CO 0.11 -0.14 1.05 1.21 1.01 0.00 0.00 176.35 179.60 1xeb n GLU 139 N 5.21 3.33 -1.80 1.70 2.13 -0.59 -4.63 120.64 126.00 1xeb n GLU 139 Ca -0.10 -4.55 -0.01 0.00 0.66 0.00 0.00 57.16 53.16 1xeb n GLU 139 Cb 0.51 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.80 1xeb n GLU 139 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1xeb n ASP 140 N 1.68 -3.22 -3.99 4.31 8.00 -1.26 -4.41 116.55 117.66 1xeb n ASP 140 Ca 0.25 0.06 -0.39 0.00 0.71 0.00 0.00 54.79 55.42 1xeb n ASP 140 Cb 0.37 -1.90 0.01 0.00 -0.02 0.00 0.00 41.12 39.58 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 -0.77 -3.88 -3.39 -2.24 9.92 -1.26 -4.96 116.55 109.97 1xeb n ASP 141 Ca 0.01 -1.14 0.02 0.00 -0.53 0.00 0.00 54.79 53.15 1xeb n ASP 141 Cb 0.27 -1.45 -0.04 0.00 -0.64 0.00 0.00 41.12 39.26 1xeb n ASP 141 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1xeb s ILE 142 N -3.49 -0.35 -0.09 0.53 -1.16 -1.26 -5.10 121.20 110.28 1xeb s ILE 142 Ca 0.35 0.00 -0.32 0.00 -0.51 0.00 0.00 60.65 60.18 1xeb s ILE 142 Cb -0.20 -1.00 -0.10 0.00 0.61 0.00 0.00 42.46 41.78 1xeb s ILE 142 CO 0.88 0.00 2.00 -0.81 -2.81 0.00 0.00 174.94 174.20 1xeb n PRO 143 N 4.71 2.30 -4.42 3.50 -0.04 -1.25 -1.54 135.00 138.25 1xeb n PRO 143 Ca -0.10 0.80 -0.20 0.00 -0.04 0.00 0.00 63.50 63.96 1xeb n PRO 143 Cb 0.54 -2.87 -0.10 0.00 -0.04 0.00 0.00 33.50 31.03 1xeb n PRO 143 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1xeb s HIS 144 N 5.25 1.88 -0.14 0.54 3.76 0.60 -2.34 115.29 124.84 1xeb s HIS 144 Ca 0.94 -0.94 -0.09 0.00 -0.15 0.00 0.00 55.06 54.82 1xeb s HIS 144 Cb -0.55 -1.19 0.05 0.00 1.11 0.00 0.00 32.58 32.00 1xeb s HIS 144 CO 0.45 0.00 0.34 -1.50 -0.85 0.00 0.00 174.74 173.18 1xeb s ILE 145 N -3.32 -0.02 0.93 0.60 2.07 0.34 0.89 121.20 122.69 1xeb s ILE 145 Ca 0.35 0.08 -0.14 0.00 -1.41 0.00 0.00 60.65 59.53 1xeb s ILE 145 Cb 0.08 -0.49 0.15 0.00 0.13 0.00 0.00 42.46 42.33 1xeb s ILE 145 CO 0.14 0.03 1.19 -0.83 -1.91 0.00 0.00 174.94 173.56 1xeb s GLY 146 N 0.97 1.62 -0.25 1.50 0.00 -1.26 -1.88 107.32 108.02 1xeb s GLY 146 Ca -0.06 -0.75 -0.28 0.00 0.00 0.00 0.00 44.72 43.63 1xeb s GLY 146 CO -0.07 -0.12 1.21 1.09 0.00 0.00 0.00 173.10 175.20 1xeb s ARG 148 N -5.50 0.31 0.00 2.90 1.70 0.43 -0.01 118.95 118.78 1xeb s ARG 148 Ca 0.66 0.19 0.05 0.00 -0.47 0.00 0.00 55.73 56.17 1xeb s ARG 148 Cb -0.11 0.15 0.04 0.00 -0.57 0.00 0.00 34.95 34.46 1xeb s ARG 148 CO 0.53 -0.07 0.67 -2.13 -1.08 0.00 0.00 175.30 173.21