#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xeb s LEU 3 N 0.00 1.56 -0.50 -3.43 1.43 -1.26 -4.80 118.68 111.68 1xeb s LEU 3 Ca 0.00 0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.16 1xeb s LEU 3 Cb 0.00 0.29 0.12 0.00 0.03 0.00 0.00 46.19 46.62 1xeb s LEU 3 CO 0.00 -0.04 0.40 -1.81 0.23 0.00 0.00 176.35 175.13 1xeb s ASP 4 N 0.19 5.92 0.54 2.29 1.01 -0.63 -4.92 116.67 121.07 1xeb s ASP 4 Ca -0.01 -1.80 -0.08 0.00 0.71 0.00 0.00 52.55 51.37 1xeb s ASP 4 Cb -0.02 -2.10 -0.04 0.00 1.01 0.00 0.00 42.92 41.77 1xeb s ASP 4 CO -0.01 -0.75 0.90 0.26 0.21 0.00 0.00 175.17 175.78 1xeb s TRP 5 N 1.48 3.58 -0.09 4.23 0.52 -1.26 -1.89 118.94 125.51 1xeb s TRP 5 Ca 0.04 1.05 -0.28 0.00 0.02 0.00 0.00 56.10 56.93 1xeb s TRP 5 Cb -0.27 -2.51 0.07 0.00 -1.15 0.00 0.00 33.47 29.61 1xeb s TRP 5 CO 0.01 -0.45 0.66 -0.08 0.02 0.00 0.00 176.95 177.11 1xeb s THR 6 N -2.90 0.00 -0.22 2.01 -1.32 -1.26 -4.98 115.64 106.97 1xeb s THR 6 Ca 0.51 -0.03 -0.03 0.00 -1.21 0.00 0.00 61.69 60.93 1xeb s THR 6 Cb -0.11 -0.96 0.07 0.00 -1.51 0.00 0.00 72.50 69.99 1xeb s THR 6 CO 0.48 -0.02 0.06 0.00 -2.21 0.00 0.00 174.62 172.93 1xeb s LYS 8 N 1.87 2.16 0.00 0.00 1.02 -0.36 -4.89 119.74 119.53 1xeb s LYS 8 Ca 0.02 -1.00 -0.30 0.00 0.02 0.00 0.00 55.97 54.71 1xeb s LYS 8 Cb -0.17 -2.31 -0.04 0.00 -0.52 0.00 0.00 37.83 34.79 1xeb s LYS 8 CO -0.14 0.52 1.09 -1.58 -0.92 0.00 0.00 175.35 174.32 1xeb s HIS 9 N -1.18 3.49 0.65 3.18 5.65 -1.26 -0.65 115.29 125.17 1xeb s HIS 9 Ca 0.21 1.48 0.06 0.00 0.25 0.00 0.00 55.06 57.05 1xeb s HIS 9 Cb -0.11 -3.28 0.24 0.00 -1.18 0.00 0.00 32.58 28.26 1xeb s HIS 9 CO 0.13 -0.67 1.12 1.12 -0.65 0.00 0.00 174.74 175.78 1xeb h HIS 10 N 6.94 0.00 -0.24 3.88 -0.00 -1.70 0.54 115.15 124.57 1xeb h HIS 10 Ca -0.39 0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 59.85 1xeb h HIS 10 Cb 1.20 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.60 1xeb h HIS 10 CO 0.69 0.00 -0.40 0.00 -0.00 0.00 0.00 177.93 178.21 1xeb h ALA 11 N 0.18 0.86 0.00 6.11 0.00 -1.87 -3.25 119.26 121.28 1xeb h ALA 11 Ca 0.06 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1xeb h ALA 11 Cb 1.99 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1xeb h ALA 11 CO -0.00 0.64 -0.52 -0.25 0.00 0.00 0.00 179.25 179.12 1xeb n ASP 12 N -4.03 0.52 -4.45 0.00 8.00 0.19 -4.97 116.55 111.81 1xeb n ASP 12 Ca -0.02 -0.17 -0.37 0.00 0.71 0.00 0.00 54.79 54.94 1xeb n ASP 12 Cb 0.51 0.24 0.05 0.00 -0.02 0.00 0.00 41.12 41.90 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 -1.60 0.56 -4.85 0.64 4.77 -1.23 -5.01 117.00 110.28 1xeb n LEU 13 Ca 0.05 0.66 -0.22 0.00 -0.03 0.00 0.00 56.01 56.47 1xeb n LEU 13 Cb 0.35 -1.18 -0.04 0.00 -2.33 0.00 0.00 43.42 40.23 1xeb n LEU 13 CO 0.35 -3.18 -0.15 0.42 -1.33 0.00 0.00 177.39 173.50 1xeb s THR 14 N -1.81 4.59 0.21 -5.08 -4.23 -1.26 -4.94 115.64 103.12 1xeb s THR 14 Ca 0.66 -1.29 -0.10 0.00 -1.18 0.00 0.00 61.69 59.78 1xeb s THR 14 Cb -0.40 -3.47 0.17 0.00 1.34 0.00 0.00 72.50 70.15 1xeb s THR 14 CO 0.57 -0.32 1.70 -0.07 -0.54 0.00 0.00 174.62 175.96 1xeb h LEU 15 N 1.55 -0.04 -0.72 4.79 3.38 -1.99 0.23 115.31 122.51 1xeb h LEU 15 Ca -0.49 0.12 0.10 0.00 0.09 0.00 0.00 57.88 57.71 1xeb h LEU 15 Cb 1.23 0.18 -0.08 0.00 0.09 0.00 0.00 40.66 42.08 1xeb h LEU 15 CO 0.61 -0.02 0.35 0.11 0.09 0.00 0.00 178.44 179.58 1xeb h LYS 16 N 0.23 0.56 0.18 1.13 1.57 -1.98 0.10 116.57 118.36 1xeb h LYS 16 Ca 0.32 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 1xeb h LYS 16 Cb 0.50 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1xeb h LYS 16 CO -0.43 0.37 -0.09 0.93 -0.57 0.00 0.00 179.45 179.66 1xeb h GLU 17 N 0.57 -0.23 -0.52 3.15 5.08 -1.04 0.16 114.58 121.76 1xeb h GLU 17 Ca 0.37 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.76 1xeb h GLU 17 Cb 0.43 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1xeb h GLU 17 CO -0.30 -0.01 0.33 1.25 -1.00 0.00 0.00 179.01 179.28 1xeb h LEU 18 N -0.42 0.55 -0.58 1.33 6.46 -0.50 -1.77 115.31 120.38 1xeb h LEU 18 Ca -0.02 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.72 1xeb h LEU 18 Cb 0.32 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 1xeb h LEU 18 CO 0.04 0.39 0.32 0.22 -0.62 0.00 0.00 178.44 178.80 1xeb h TYR 19 N 0.66 0.80 0.31 1.25 5.03 -0.69 -2.17 116.97 122.15 1xeb h TYR 19 Ca 0.20 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.48 1xeb h TYR 19 Cb -0.03 -0.26 -0.00 0.00 1.55 0.00 0.00 36.73 37.99 1xeb h TYR 19 CO -0.05 0.57 -0.17 0.00 -1.32 0.00 0.00 178.16 177.19 1xeb h ALA 20 N 1.15 -0.44 -0.32 1.82 0.00 -0.20 -0.32 119.26 120.95 1xeb h ALA 20 Ca 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1xeb h ALA 20 Cb 0.04 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1xeb h ALA 20 CO -0.03 -0.76 0.08 1.37 0.00 0.00 0.00 179.25 179.91 1xeb h LEU 21 N -0.45 0.42 -0.33 0.00 8.10 -1.27 -0.92 115.31 120.85 1xeb h LEU 21 Ca -0.03 -0.05 -0.20 0.00 0.11 0.00 0.00 57.88 57.71 1xeb h LEU 21 Cb 0.36 -0.11 0.00 0.00 -0.44 0.00 0.00 40.66 40.48 1xeb h LEU 21 CO 0.05 0.42 -0.73 -0.07 -4.11 0.00 0.00 178.44 174.01 1xeb h LEU 22 N 0.45 0.67 0.46 0.17 3.38 -1.21 -1.51 115.31 117.72 1xeb h LEU 22 Ca 0.11 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 1xeb h LEU 22 Cb 0.18 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1xeb h LEU 22 CO -0.00 1.19 -0.23 -0.61 0.09 0.00 0.00 178.44 178.87 1xeb h GLN 23 N 0.39 -0.61 -0.73 1.13 -0.00 -0.28 -0.18 115.11 114.84 1xeb h GLN 23 Ca -0.03 0.04 0.03 0.00 -0.00 0.00 0.00 58.65 58.69 1xeb h GLN 23 Cb 1.32 0.14 -0.05 0.00 0.00 0.00 0.00 27.48 28.89 1xeb h GLN 23 CO 0.14 -0.41 0.46 1.25 0.00 0.00 0.00 178.83 180.26 1xeb h LEU 24 N -0.64 0.75 -0.58 -2.39 5.85 -1.22 -0.13 115.31 116.96 1xeb h LEU 24 Ca -0.06 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1xeb h LEU 24 Cb 0.50 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1xeb h LEU 24 CO 0.09 0.52 0.38 0.03 -0.34 0.00 0.00 178.44 179.12 1xeb h ARG 25 N 0.89 0.76 -0.13 1.25 3.08 -1.02 -2.44 114.38 116.77 1xeb h ARG 25 Ca 0.29 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 1xeb h ARG 25 Cb 0.03 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 1xeb h ARG 25 CO -0.11 0.50 -0.01 1.15 -1.07 0.00 0.00 179.97 180.42 1xeb h THR 26 N 0.78 1.27 -1.00 2.04 2.02 -0.56 -1.51 112.91 115.96 1xeb h THR 26 Ca 0.21 -0.89 0.26 0.00 0.77 0.00 0.00 66.41 66.77 1xeb h THR 26 Cb -0.08 1.61 -0.13 0.00 -1.74 0.00 0.00 68.15 67.80 1xeb h THR 26 CO -0.05 0.26 0.58 -0.08 0.37 0.00 0.00 175.52 176.59 1xeb h GLU 27 N -0.06 0.49 0.00 6.66 4.81 -0.81 -0.69 114.58 124.98 1xeb h GLU 27 Ca 0.03 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xeb h GLU 27 Cb 0.40 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1xeb h GLU 27 CO 0.01 0.32 -0.69 0.28 -0.73 0.00 0.00 179.01 178.21 1xeb n VAL 28 N -4.94 1.33 -0.29 0.32 0.31 -0.94 -1.15 118.33 112.98 1xeb n VAL 28 Ca 0.28 0.21 -0.05 0.00 -0.01 0.00 0.00 64.34 64.77 1xeb n VAL 28 Cb 0.80 -2.30 0.07 0.00 -0.91 0.00 0.00 33.84 31.50 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 -0.91 1.06 0.00 3.52 0.05 -1.34 -0.04 116.94 119.28 1xeb h PHE 29 Ca 0.00 -0.02 -0.05 0.00 3.82 0.00 0.00 57.97 61.73 1xeb h PHE 29 Cb 0.69 -0.34 -0.01 0.00 2.00 0.00 0.00 35.95 38.29 1xeb h PHE 29 CO -0.30 0.73 -0.60 0.28 -0.18 0.00 0.00 178.31 178.25 1xeb h VAL 30 N 1.08 0.23 0.05 -0.55 2.07 -1.37 -3.35 116.25 114.41 1xeb h VAL 30 Ca 0.28 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 1xeb h VAL 30 Cb 0.00 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1xeb h VAL 30 CO -0.05 0.08 -0.02 0.58 0.02 0.00 0.00 177.57 178.17 1xeb h VAL 31 N -1.00 0.00 -0.87 2.57 2.07 -1.25 0.52 116.25 118.29 1xeb h VAL 31 Ca -0.07 -0.15 0.19 0.00 0.82 0.00 0.00 66.70 67.49 1xeb h VAL 31 Cb 0.63 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.29 1xeb h VAL 31 CO -0.04 0.00 0.40 -0.08 0.02 0.00 0.00 177.57 177.87 1xeb h GLU 32 N -0.22 0.46 -0.01 1.57 4.81 -1.08 0.14 114.58 120.26 1xeb h GLU 32 Ca -0.01 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1xeb h GLU 32 Cb 0.05 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1xeb h GLU 32 CO 0.01 0.31 -0.02 1.04 -0.73 0.00 0.00 179.01 179.62 1xeb n GLN 33 N -4.98 1.35 -3.80 1.92 6.02 -0.03 -4.96 117.38 112.89 1xeb n GLN 33 Ca 0.20 -0.60 -0.32 0.00 -0.01 0.00 0.00 57.00 56.27 1xeb n GLN 33 Cb 0.56 -1.49 0.02 0.00 1.02 0.00 0.00 30.24 30.35 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 -0.31 -1.61 -3.67 -1.09 5.02 0.48 -4.95 118.16 112.03 1xeb n LYS 34 Ca 0.20 0.39 -0.29 0.00 -2.02 0.00 0.00 58.31 56.59 1xeb n LYS 34 Cb 0.28 -4.01 -0.15 0.00 -0.02 0.00 0.00 35.03 31.12 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 5.03 3.20 -4.32 0.00 -0.04 -1.26 -4.26 135.00 133.35 1xeb n PRO 36 Ca -0.05 -3.26 -0.25 0.00 -0.04 0.00 0.00 63.50 59.90 1xeb n PRO 36 Cb 0.43 -3.30 -0.08 0.00 -0.04 0.00 0.00 33.50 30.51 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 3.03 2.56 -1.05 0.54 1.13 -1.26 -5.05 117.35 117.26 1xeb s TYR 37 Ca 0.49 -0.50 -0.23 0.00 -1.41 0.00 0.00 57.07 55.42 1xeb s TYR 37 Cb 0.06 -1.65 0.03 0.00 -1.10 0.00 0.00 41.96 39.29 1xeb s TYR 37 CO 0.02 0.40 1.62 -1.14 -2.51 0.00 0.00 175.55 173.94 1xeb s GLN 38 N -3.77 3.38 0.22 -3.49 2.00 -1.26 -4.82 119.66 111.92 1xeb s GLN 38 Ca 0.36 -1.09 -0.08 0.00 -2.00 0.00 0.00 55.36 52.56 1xeb s GLN 38 Cb 0.02 -5.32 0.30 0.00 0.80 0.00 0.00 33.01 28.81 1xeb s GLN 38 CO 0.20 -2.56 1.79 1.49 -0.50 0.00 0.00 175.29 175.72 1xeb h GLU 39 N 9.76 0.63 -5.59 1.67 4.57 -1.96 -3.27 114.58 120.39 1xeb h GLU 39 Ca 0.22 -0.04 -0.67 0.00 -1.18 0.00 0.00 59.36 57.69 1xeb h GLU 39 Cb 0.98 -0.14 -0.12 0.00 -0.16 0.00 0.00 28.75 29.31 1xeb h GLU 39 CO 1.38 0.42 1.70 0.08 -1.18 0.00 0.00 179.01 181.41 1xeb s VAL 40 N -6.07 4.33 -1.25 0.32 1.01 -1.26 -4.82 120.40 112.66 1xeb s VAL 40 Ca -0.13 -1.75 0.30 0.00 0.00 0.00 0.00 61.98 60.40 1xeb s VAL 40 Cb 0.17 -5.06 0.39 0.00 0.00 0.00 0.00 36.38 31.89 1xeb s VAL 40 CO 0.76 -1.86 1.98 -0.90 0.00 0.00 0.00 175.10 175.08 1xeb n ASP 41 N 7.72 0.04 0.00 3.32 3.85 -1.24 -4.92 116.55 125.33 1xeb n ASP 41 Ca 0.40 0.10 0.00 0.00 -0.71 0.00 0.00 54.79 54.57 1xeb n ASP 41 Cb 0.47 -0.35 0.00 0.00 -1.35 0.00 0.00 41.12 39.89 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 1.38 0.71 1.02 6.12 0.00 -1.26 -4.90 105.19 108.26 1xeb n GLY 42 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.24 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 3.20 0.03 0.99 4.77 -1.26 -4.53 117.00 120.19 1xeb n LEU 43 Ca 0.00 -1.34 -0.07 0.00 -0.03 0.00 0.00 56.01 54.56 1xeb n LEU 43 Cb 0.00 -0.16 -0.12 0.00 -2.33 0.00 0.00 43.42 40.81 1xeb n LEU 43 CO 0.00 0.65 -0.13 0.44 -1.33 0.00 0.00 177.39 177.01 1xeb h ASP 44 N 4.25 0.00 -0.78 -1.43 5.19 -1.98 -3.38 116.42 118.29 1xeb h ASP 44 Ca 0.00 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.85 1xeb h ASP 44 Cb 0.94 0.00 -0.42 0.00 0.18 0.00 0.00 39.33 40.03 1xeb h ASP 44 CO 0.00 0.98 -0.72 0.18 -3.12 0.00 0.00 179.24 176.56 1xeb n LEU 45 N -3.21 5.08 -4.36 1.55 4.77 -1.26 -4.73 117.00 114.84 1xeb n LEU 45 Ca -0.07 -4.73 -0.19 0.00 -0.03 0.00 0.00 56.01 50.99 1xeb n LEU 45 Cb 0.98 -0.38 -0.10 0.00 -2.33 0.00 0.00 43.42 41.59 1xeb n LEU 45 CO 0.46 2.08 -0.43 0.68 -1.33 0.00 0.00 177.39 178.84 1xeb s VAL 46 N -4.63 1.74 0.00 4.08 -7.23 -1.26 -5.04 120.40 108.06 1xeb s VAL 46 Ca 0.52 -2.21 0.00 0.00 -1.81 0.00 0.00 61.98 58.48 1xeb s VAL 46 Cb 0.42 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 35.26 1xeb s VAL 46 CO 0.03 -0.56 0.00 0.61 -0.31 0.00 0.00 175.10 174.88 1xeb n GLY 47 N -0.41 2.50 2.30 2.32 0.00 -1.26 -1.85 105.19 108.80 1xeb n GLY 47 Ca -0.08 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 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 0.99 5.47 -4.76 1.61 8.00 -1.26 -4.95 116.55 121.65 1xeb n ASP 48 Ca 0.00 -3.75 -0.41 0.00 0.71 0.00 0.00 54.79 51.34 1xeb n ASP 48 Cb 0.00 -0.53 -0.02 0.00 -0.02 0.00 0.00 41.12 40.54 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 -4.99 2.82 0.16 -3.53 -4.23 -0.77 -4.31 115.64 100.79 1xeb s THR 49 Ca 0.52 0.80 0.09 0.00 -1.18 0.00 0.00 61.69 61.92 1xeb s THR 49 Cb 0.42 -3.51 -0.04 0.00 1.34 0.00 0.00 72.50 70.71 1xeb s THR 49 CO -0.09 0.18 -0.13 -1.00 -0.54 0.00 0.00 174.62 173.04 1xeb s HIS 50 N -0.98 2.59 -0.15 3.99 3.76 0.59 -2.05 115.29 123.03 1xeb s HIS 50 Ca 0.50 -0.24 0.02 0.00 -0.15 0.00 0.00 55.06 55.18 1xeb s HIS 50 Cb -0.39 -1.30 0.02 0.00 1.11 0.00 0.00 32.58 32.02 1xeb s HIS 50 CO 0.50 0.47 -0.20 -1.01 -0.85 0.00 0.00 174.74 173.66 1xeb s HIS 51 N -1.52 2.59 0.42 1.40 3.76 0.17 -0.65 115.29 121.46 1xeb s HIS 51 Ca 0.22 -1.42 0.02 0.00 -0.15 0.00 0.00 55.06 53.74 1xeb s HIS 51 Cb -0.09 -1.79 -0.00 0.00 1.11 0.00 0.00 32.58 31.80 1xeb s HIS 51 CO 0.13 -0.69 0.62 -1.17 -0.85 0.00 0.00 174.74 172.78 1xeb s LEU 52 N 1.11 3.72 -0.30 0.89 2.96 -0.72 -1.22 118.68 125.12 1xeb s LEU 52 Ca -0.01 0.11 -0.10 0.00 -0.22 0.00 0.00 54.13 53.91 1xeb s LEU 52 Cb -0.14 -3.01 0.16 0.00 0.50 0.00 0.00 46.19 43.71 1xeb s LEU 52 CO -0.07 -0.65 0.84 0.00 -1.32 0.00 0.00 176.35 175.14 1xeb s ALA 54 N -2.45 -2.59 -0.11 5.97 0.00 -0.56 -2.66 121.76 119.36 1xeb s ALA 54 Ca 0.48 1.96 0.00 0.00 0.00 0.00 0.00 51.96 54.40 1xeb s ALA 54 Cb -0.10 -2.10 -0.02 0.00 0.00 0.00 0.00 23.12 20.90 1xeb s ALA 54 CO 0.36 -1.13 -0.11 -1.58 0.00 0.00 0.00 175.76 173.30 1xeb s TRP 55 N 2.74 2.84 -0.24 0.00 0.52 -0.79 -1.26 118.94 122.75 1xeb s TRP 55 Ca 0.02 -0.40 -0.00 0.00 0.02 0.00 0.00 56.10 55.75 1xeb s TRP 55 Cb -0.10 -1.80 0.06 0.00 -1.15 0.00 0.00 33.47 30.49 1xeb s TRP 55 CO -0.17 -0.03 -0.02 0.50 0.02 0.00 0.00 176.95 177.25 1xeb s ARG 56 N -0.04 1.31 -1.19 4.98 3.52 -0.57 -1.60 118.95 125.37 1xeb s ARG 56 Ca -0.02 -0.90 -0.15 0.00 -0.13 0.00 0.00 55.73 54.53 1xeb s ARG 56 Cb -0.14 -2.45 -0.01 0.00 -1.56 0.00 0.00 34.95 30.79 1xeb s ARG 56 CO 0.04 -0.65 0.74 -0.25 -0.81 0.00 0.00 175.30 174.36 1xeb n ASP 57 N 4.76 -4.29 0.00 -2.12 9.92 -1.26 -2.44 116.55 121.12 1xeb n ASP 57 Ca -0.10 -0.98 0.00 0.00 -0.53 0.00 0.00 54.79 53.18 1xeb n ASP 57 Cb 0.44 -3.52 0.00 0.00 -0.64 0.00 0.00 41.12 37.41 1xeb n ASP 57 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xeb n GLY 58 N -1.68 1.01 3.38 0.44 0.00 -1.26 -5.01 105.19 102.07 1xeb n GLY 58 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.16 2.69 -0.19 1.61 -1.52 -1.02 -5.10 119.66 115.96 1xeb s GLN 59 Ca 0.00 -0.77 -0.27 0.00 -1.95 0.00 0.00 55.36 52.37 1xeb s GLN 59 Cb 0.00 -2.35 -0.00 0.00 -0.22 0.00 0.00 33.01 30.44 1xeb s GLN 59 CO 0.00 0.46 0.94 -1.17 -0.25 0.00 0.00 175.29 175.27 1xeb s LEU 60 N -0.32 4.14 -0.08 2.90 0.20 -1.26 -1.51 118.68 122.76 1xeb s LEU 60 Ca 0.02 1.29 0.12 0.00 0.69 0.00 0.00 54.13 56.25 1xeb s LEU 60 Cb -0.13 -3.40 -0.18 0.00 -0.43 0.00 0.00 46.19 42.05 1xeb s LEU 60 CO 0.02 -0.53 0.15 0.18 -0.29 0.00 0.00 176.35 175.88 1xeb n LEU 61 N 5.75 0.00 -3.78 -0.68 4.77 -0.39 -4.78 117.00 117.89 1xeb n LEU 61 Ca 0.08 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.94 1xeb n LEU 61 Cb 0.47 0.17 -0.10 0.00 -2.33 0.00 0.00 43.42 41.63 1xeb n LEU 61 CO 0.50 0.17 -0.05 0.00 -1.33 0.00 0.00 177.39 176.69 1xeb s ALA 62 N -2.58 -0.67 0.07 -1.18 0.00 -1.20 -0.93 121.76 115.27 1xeb s ALA 62 Ca -0.06 0.53 -0.18 0.00 0.00 0.00 0.00 51.96 52.25 1xeb s ALA 62 Cb 0.06 -0.22 0.04 0.00 0.00 0.00 0.00 23.12 22.99 1xeb s ALA 62 CO 0.53 -0.18 0.41 -0.47 0.00 0.00 0.00 175.76 176.05 1xeb s TYR 63 N -0.51 -0.26 0.02 0.00 5.04 0.08 -1.50 117.35 120.23 1xeb s TYR 63 Ca -0.06 0.14 -0.28 0.00 -2.44 0.00 0.00 57.07 54.43 1xeb s TYR 63 Cb -0.04 0.24 0.07 0.00 0.35 0.00 0.00 41.96 42.58 1xeb s TYR 63 CO 0.02 -0.61 0.67 -0.48 -1.34 0.00 0.00 175.55 173.80 1xeb s LEU 64 N -2.23 -0.61 0.02 6.97 0.05 -1.09 -0.69 118.68 121.11 1xeb s LEU 64 Ca -0.03 0.44 0.06 0.00 0.05 0.00 0.00 54.13 54.65 1xeb s LEU 64 Cb -0.00 2.52 -0.03 0.00 -2.05 0.00 0.00 46.19 46.63 1xeb s LEU 64 CO -0.05 -0.73 -0.17 -0.60 -0.55 0.00 0.00 176.35 174.26 1xeb s ARG 65 N -2.14 2.18 -0.26 1.48 3.52 0.46 -1.75 118.95 122.45 1xeb s ARG 65 Ca -0.06 -0.91 0.01 0.00 -0.13 0.00 0.00 55.73 54.63 1xeb s ARG 65 Cb -0.00 -2.24 0.05 0.00 -1.56 0.00 0.00 34.95 31.19 1xeb s ARG 65 CO 0.01 0.56 -0.08 -0.51 -0.81 0.00 0.00 175.30 174.47 1xeb s LEU 66 N -1.32 3.43 -0.10 -0.88 1.43 0.17 -1.73 118.68 119.68 1xeb s LEU 66 Ca 0.14 -1.23 -0.18 0.00 -1.03 0.00 0.00 54.13 51.83 1xeb s LEU 66 Cb -0.11 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1xeb s LEU 66 CO 0.05 -0.19 0.47 -0.76 0.23 0.00 0.00 176.35 176.15 1xeb s LEU 67 N 1.19 4.30 0.31 1.79 1.02 0.89 -0.30 118.68 127.88 1xeb s LEU 67 Ca -0.06 0.83 -0.29 0.00 0.02 0.00 0.00 54.13 54.63 1xeb s LEU 67 Cb -0.19 -2.68 -0.10 0.00 0.02 0.00 0.00 46.19 43.24 1xeb s LEU 67 CO -0.04 0.04 1.33 1.51 0.02 0.00 0.00 176.35 179.20 1xeb s ASP 68 N 0.44 6.76 0.32 2.29 -4.77 -1.26 -1.68 116.67 118.78 1xeb s ASP 68 Ca 0.26 2.67 0.11 0.00 -3.30 0.00 0.00 52.55 52.29 1xeb s ASP 68 Cb -0.15 -2.64 0.95 0.00 -1.09 0.00 0.00 42.92 39.98 1xeb s ASP 68 CO 0.11 -0.56 1.70 1.55 0.70 0.00 0.00 175.17 178.67 1xeb h PRO 69 N 3.73 0.45 -0.64 2.11 0.13 -1.91 -2.32 132.00 133.56 1xeb h PRO 69 Ca -0.48 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1xeb h PRO 69 Cb 1.22 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 1xeb h PRO 69 CO 0.68 0.30 0.39 -0.24 -0.23 0.00 0.00 178.00 178.89 1xeb h VAL 70 N 0.46 1.18 -0.24 1.56 3.04 -1.93 -1.49 116.25 118.83 1xeb h VAL 70 Ca 0.67 -0.38 0.00 0.00 -1.01 0.00 0.00 66.70 65.98 1xeb h VAL 70 Cb 1.38 0.28 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 1xeb h VAL 70 CO -0.53 0.18 0.00 0.54 -1.01 0.00 0.00 177.57 176.75 1xeb n ARG 71 N -4.41 1.62 -2.77 4.17 1.74 -0.87 -4.20 116.66 111.93 1xeb n ARG 71 Ca 0.06 -0.95 -0.10 0.00 -0.77 0.00 0.00 57.85 56.09 1xeb n ARG 71 Cb 0.07 -1.25 0.04 0.00 -1.02 0.00 0.00 32.46 30.30 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 0.25 -0.06 -4.17 -1.55 8.25 -0.80 -5.02 115.22 112.11 1xeb n HIS 72 Ca 0.11 -2.76 -0.32 0.00 -0.26 0.00 0.00 57.72 54.49 1xeb n HIS 72 Cb 0.24 0.17 -0.04 0.00 1.12 0.00 0.00 29.99 31.48 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 -0.08 -2.80 -1.03 -0.41 4.71 -1.22 -1.43 120.64 118.39 1xeb n GLU 73 Ca 0.09 0.33 -0.01 0.00 -0.01 0.00 0.00 57.16 57.57 1xeb n GLU 73 Cb 0.79 -4.70 -0.00 0.00 -1.01 0.00 0.00 31.44 26.51 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 0.50 3.11 0.62 0.00 -0.63 -5.03 105.19 102.04 1xeb n GLY 74 Ca -0.10 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.32 1.52 -0.07 1.61 -0.21 -0.51 -4.39 119.66 116.30 1xeb s GLN 75 Ca 0.00 -0.54 -0.23 0.00 0.02 0.00 0.00 55.36 54.61 1xeb s GLN 75 Cb 0.00 -1.36 -0.04 0.00 1.00 0.00 0.00 33.01 32.61 1xeb s GLN 75 CO 0.00 0.24 0.67 0.54 -2.12 0.00 0.00 175.29 174.62 1xeb s VAL 76 N -0.00 5.05 -0.24 1.09 0.11 -0.13 -3.73 120.40 122.54 1xeb s VAL 76 Ca -0.02 1.39 -0.07 0.00 -2.93 0.00 0.00 61.98 60.35 1xeb s VAL 76 Cb -0.10 -4.01 -0.03 0.00 -1.53 0.00 0.00 36.38 30.71 1xeb s VAL 76 CO 0.01 0.27 0.07 -0.69 -3.33 0.00 0.00 175.10 171.44 1xeb s VAL 77 N 0.72 4.40 -0.16 2.04 1.01 -0.68 -0.24 120.40 127.51 1xeb s VAL 77 Ca 0.36 -0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.12 1xeb s VAL 77 Cb -0.18 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1xeb s VAL 77 CO 0.17 0.35 0.13 -0.63 0.00 0.00 0.00 175.10 175.12 1xeb s ILE 78 N 1.48 5.38 0.21 2.22 1.01 0.15 -0.08 121.20 131.57 1xeb s ILE 78 Ca 0.06 0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.77 1xeb s ILE 78 Cb -0.15 -3.39 0.04 0.00 0.01 0.00 0.00 42.46 38.97 1xeb s ILE 78 CO 0.04 0.53 0.55 0.61 0.00 0.00 0.00 174.94 176.67 1xeb n GLY 79 N 2.75 1.20 3.93 6.18 0.00 -0.70 -4.30 105.19 114.25 1xeb n GLY 79 Ca -0.18 -1.14 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.38 -4.62 -2.62 1.61 5.12 -1.26 -0.40 116.66 114.11 1xeb n ARG 80 Ca -0.04 0.53 -0.43 0.00 -1.93 0.00 0.00 57.85 55.98 1xeb n ARG 80 Cb 0.38 -5.20 -0.02 0.00 -1.16 0.00 0.00 32.46 26.46 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 -3.49 4.62 0.17 1.55 1.01 -1.26 -3.78 120.40 119.22 1xeb s VAL 81 Ca 0.43 1.94 -0.23 0.00 0.00 0.00 0.00 61.98 64.12 1xeb s VAL 81 Cb -0.22 -4.25 0.07 0.00 0.00 0.00 0.00 36.38 31.97 1xeb s VAL 81 CO 0.85 -0.14 0.61 0.54 0.00 0.00 0.00 175.10 176.96 1xeb s VAL 82 N 3.05 0.00 -0.08 2.92 0.11 0.13 -5.00 120.40 121.53 1xeb s VAL 82 Ca 0.47 -0.09 -0.15 0.00 -2.93 0.00 0.00 61.98 59.28 1xeb s VAL 82 Cb -0.17 -1.09 0.03 0.00 -1.53 0.00 0.00 36.38 33.63 1xeb s VAL 82 CO 0.09 -0.00 0.38 -0.94 -3.33 0.00 0.00 175.10 171.30 1xeb s SER 83 N -2.76 -0.33 0.28 3.54 1.04 -1.26 -0.74 113.70 113.47 1xeb s SER 83 Ca 0.02 0.46 -0.28 0.00 0.48 0.00 0.00 55.95 56.64 1xeb s SER 83 Cb -0.01 0.56 -0.14 0.00 0.10 0.00 0.00 66.02 66.52 1xeb s SER 83 CO -0.11 -0.31 0.91 -0.24 0.98 0.00 0.00 173.24 174.46 1xeb n SER 84 N 2.00 0.79 0.23 7.02 2.88 -0.11 -4.74 113.62 121.69 1xeb n SER 84 Ca -0.17 1.16 0.10 0.00 -1.33 0.00 0.00 58.87 58.62 1xeb n SER 84 Cb 0.57 -1.23 0.66 0.00 -0.75 0.00 0.00 64.21 63.46 1xeb n SER 84 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1xeb h SER 85 N 1.76 0.00 -0.13 -3.46 4.64 -1.97 -0.85 113.55 113.54 1xeb h SER 85 Ca -0.38 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.80 1xeb h SER 85 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1xeb h SER 85 CO 0.59 0.00 -0.46 0.00 -0.87 0.00 0.00 176.83 176.10 1xeb h ALA 86 N 1.96 0.23 -0.00 5.18 0.00 -1.98 -3.19 119.26 121.47 1xeb h ALA 86 Ca 0.04 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xeb h ALA 86 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1xeb h ALA 86 CO -0.00 0.38 -0.06 0.00 0.00 0.00 0.00 179.25 179.57 1xeb n ALA 87 N -2.53 2.55 -1.51 0.00 0.00 -0.96 -4.86 120.51 113.20 1xeb n ALA 87 Ca -0.07 -0.16 -0.47 0.00 0.00 0.00 0.00 53.44 52.74 1xeb n ALA 87 Cb 0.57 -1.43 -0.06 0.00 0.00 0.00 0.00 19.45 18.54 1xeb n ALA 87 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1xeb n ARG 88 N -1.35 1.38 -3.66 0.00 0.63 -0.36 -4.84 116.66 108.45 1xeb n ARG 88 Ca 0.10 0.36 -0.14 0.00 -0.92 0.00 0.00 57.85 57.25 1xeb n ARG 88 Cb 0.30 -2.78 -0.07 0.00 0.45 0.00 0.00 32.46 30.36 1xeb n ARG 88 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1xeb s GLY 89 N 7.98 -0.31 0.54 5.14 0.00 -1.26 -5.04 107.32 114.37 1xeb s GLY 89 Ca 1.06 0.59 0.29 0.00 0.00 0.00 0.00 44.72 46.66 1xeb s GLY 89 CO 0.43 0.32 1.94 -1.61 0.00 0.00 0.00 173.10 174.18 1xeb h GLN 90 N 3.33 0.00 0.00 2.90 4.15 -2.00 -0.04 115.11 123.46 1xeb h GLN 90 Ca -0.29 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 58.97 1xeb h GLN 90 Cb 1.18 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.84 1xeb h GLN 90 CO 0.41 0.00 -0.76 0.78 -1.93 0.00 0.00 178.83 177.33 1xeb h GLY 91 N 0.00 0.00 0.71 2.39 0.00 -1.96 -2.79 103.07 101.42 1xeb h GLY 91 Ca 0.34 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.48 1xeb h GLY 91 CO -0.00 0.00 -0.81 -2.00 0.00 0.00 0.00 176.54 173.73 1xeb h LEU 92 N 0.00 0.48 -0.58 3.11 6.46 -1.38 -2.71 115.31 120.70 1xeb h LEU 92 Ca -0.01 -0.94 0.11 0.00 -0.12 0.00 0.00 57.88 56.92 1xeb h LEU 92 Cb 1.52 -0.16 -0.08 0.00 -0.73 0.00 0.00 40.66 41.21 1xeb h LEU 92 CO 0.10 1.39 0.12 1.23 -0.62 0.00 0.00 178.44 180.65 1xeb h GLY 93 N -0.34 0.72 0.66 3.75 0.00 -1.31 0.24 103.07 106.80 1xeb h GLY 93 Ca -0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1xeb h GLY 93 CO 0.15 -0.11 -0.39 0.84 0.00 0.00 0.00 176.54 177.04 1xeb h HIS 94 N 0.25 -1.06 -0.34 5.60 -0.00 -1.53 -2.83 115.15 115.24 1xeb h HIS 94 Ca 0.30 0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.75 1xeb h HIS 94 Cb 0.44 0.40 -0.08 0.00 -0.00 0.00 0.00 27.41 28.17 1xeb h HIS 94 CO -0.25 -0.56 -0.17 1.96 -0.00 0.00 0.00 177.93 178.92 1xeb h GLN 95 N -0.85 -0.11 0.00 5.26 1.08 -1.02 0.13 115.11 119.60 1xeb h GLN 95 Ca -0.04 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1xeb h GLN 95 Cb 0.74 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.19 1xeb h GLN 95 CO -0.03 -0.07 0.00 1.28 -0.95 0.00 0.00 178.83 179.06 1xeb n LEU 96 N -5.34 0.00 0.00 1.46 4.77 0.78 -1.26 117.00 117.41 1xeb n LEU 96 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1xeb n LEU 96 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1xeb n LEU 96 CO 0.14 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.41 1xeb n GLU 98 N -0.51 0.00 0.26 3.23 2.13 0.44 -1.71 120.64 124.47 1xeb n GLU 98 Ca 0.00 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.92 1xeb n GLU 98 Cb 0.00 0.00 0.67 0.00 0.27 0.00 0.00 31.44 32.38 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 0.06 5.31 3.08 -1.40 0.13 114.38 121.57 1xeb h ARG 99 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 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 0.10 -0.03 0.00 -1.07 0.00 0.00 179.97 178.97 1xeb h ALA 100 N 1.90 -0.09 -0.73 0.04 0.00 -1.56 0.13 119.26 118.95 1xeb h ALA 100 Ca -0.00 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1xeb h ALA 100 Cb 0.22 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1xeb h ALA 100 CO 0.01 -0.30 0.47 -0.07 0.00 0.00 0.00 179.25 179.37 1xeb h LEU 101 N -0.59 0.80 -0.17 0.00 -0.00 -1.78 -0.60 115.31 112.97 1xeb h LEU 101 Ca -0.01 -0.01 0.04 0.00 -0.00 0.00 0.00 57.88 57.90 1xeb h LEU 101 Cb 0.51 -0.19 -0.07 0.00 -0.00 0.00 0.00 40.66 40.91 1xeb h LEU 101 CO 0.01 0.57 -0.46 -0.61 -0.00 0.00 0.00 178.44 177.95 1xeb h GLN 102 N 0.95 -0.48 -0.57 1.13 4.15 -0.58 0.75 115.11 120.45 1xeb h GLN 102 Ca 0.28 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.74 1xeb h GLN 102 Cb -0.05 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.72 1xeb h GLN 102 CO -0.08 -0.32 0.35 0.00 -1.93 0.00 0.00 178.83 176.85 1xeb h ALA 103 N 0.04 0.72 -0.87 3.38 0.00 -0.27 -2.50 119.26 119.75 1xeb h ALA 103 Ca 0.07 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.00 1xeb h ALA 103 Cb 0.64 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 1xeb h ALA 103 CO -0.43 0.18 0.53 0.00 0.00 0.00 0.00 179.25 179.53 1xeb h ALA 104 N 1.18 1.22 0.00 0.00 0.00 -0.40 0.44 119.26 121.72 1xeb h ALA 104 Ca 0.20 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1xeb h ALA 104 Cb -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1xeb h ALA 104 CO -0.04 0.23 -0.45 1.49 0.00 0.00 0.00 179.25 180.48 1xeb h GLU 105 N 0.94 0.00 0.00 0.00 4.81 -0.54 0.67 114.58 120.46 1xeb h GLU 105 Ca 0.40 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.40 1xeb h GLU 105 Cb 0.26 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1xeb h GLU 105 CO -0.20 0.45 -1.52 0.07 -0.73 0.00 0.00 179.01 177.07 1xeb h ARG 106 N 0.00 0.00 0.19 1.92 0.11 -0.89 -3.03 114.38 112.67 1xeb h ARG 106 Ca -0.00 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.73 1xeb h ARG 106 Cb 0.89 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.98 1xeb h ARG 106 CO 0.06 0.39 -1.74 -0.07 0.10 0.00 0.00 179.97 178.71 1xeb h LEU 107 N 0.00 0.62 -5.94 0.08 3.38 -0.05 -3.41 115.31 109.99 1xeb h LEU 107 Ca -0.21 -0.91 -0.54 0.00 0.09 0.00 0.00 57.88 56.31 1xeb h LEU 107 Cb 1.77 -0.20 -0.40 0.00 0.09 0.00 0.00 40.66 41.92 1xeb h LEU 107 CO 0.06 1.77 -1.03 0.79 0.09 0.00 0.00 178.44 180.12 1xeb n TRP 108 N -3.59 0.79 -1.61 1.13 8.01 0.23 -5.06 117.44 117.34 1xeb n TRP 108 Ca -0.24 -3.78 -0.59 0.00 -1.31 0.00 0.00 57.50 51.59 1xeb n TRP 108 Cb 1.08 -0.42 -0.08 0.00 -2.01 0.00 0.00 31.31 29.88 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 0.73 1.12 -0.17 -0.99 7.94 -1.15 -1.37 117.00 123.12 1xeb n LEU 109 Ca 0.25 1.14 -0.02 0.00 -1.11 0.00 0.00 56.01 56.26 1xeb n LEU 109 Cb 0.55 -1.03 -0.01 0.00 0.53 0.00 0.00 43.42 43.46 1xeb n LEU 109 CO 0.24 -1.19 -0.02 0.47 -1.11 0.00 0.00 177.39 175.77 1xeb n ASP 110 N 2.97 -4.57 -4.75 1.96 10.43 -1.26 -5.01 116.55 116.31 1xeb n ASP 110 Ca 0.23 0.06 -0.38 0.00 2.57 0.00 0.00 54.79 57.27 1xeb n ASP 110 Cb 0.09 -2.27 -0.06 0.00 1.84 0.00 0.00 41.12 40.72 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 -1.65 5.16 0.51 -3.53 2.01 -0.47 -5.06 115.64 112.61 1xeb s THR 111 Ca 0.00 0.85 -0.22 0.00 0.31 0.00 0.00 61.69 62.63 1xeb s THR 111 Cb 0.00 -3.76 -0.06 0.00 0.01 0.00 0.00 72.50 68.69 1xeb s THR 111 CO 0.00 0.40 1.25 -2.16 -0.69 0.00 0.00 174.62 173.43 1xeb s PRO 112 N 0.14 3.42 -0.10 4.92 0.04 -1.26 -4.78 135.00 137.39 1xeb s PRO 112 Ca 0.24 1.98 -0.03 0.00 0.04 0.00 0.00 61.00 63.23 1xeb s PRO 112 Cb -0.15 -2.30 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 1xeb s PRO 112 CO 0.10 -0.89 0.02 0.08 0.04 0.00 0.00 177.00 176.35 1xeb s VAL 113 N -1.44 4.46 0.07 -0.36 1.01 -0.43 -0.95 120.40 122.76 1xeb s VAL 113 Ca 0.68 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.52 1xeb s VAL 113 Cb -0.34 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 1xeb s VAL 113 CO 0.40 0.60 -0.14 -0.47 0.00 0.00 0.00 175.10 175.49 1xeb s TYR 114 N -0.80 1.22 0.06 5.22 6.14 0.67 -0.99 117.35 128.88 1xeb s TYR 114 Ca 0.12 -0.46 -0.23 0.00 0.64 0.00 0.00 57.07 57.14 1xeb s TYR 114 Cb -0.12 -0.69 0.06 0.00 0.42 0.00 0.00 41.96 41.63 1xeb s TYR 114 CO 0.02 0.06 0.54 -0.48 0.64 0.00 0.00 175.55 176.34 1xeb s LEU 115 N -1.75 -0.20 -0.28 6.97 -0.00 -1.26 -0.67 118.68 121.49 1xeb s LEU 115 Ca -0.02 0.16 -0.07 0.00 -0.00 0.00 0.00 54.13 54.20 1xeb s LEU 115 Cb -0.10 2.24 -0.01 0.00 -0.00 0.00 0.00 46.19 48.32 1xeb s LEU 115 CO 0.02 -0.77 0.08 -0.55 -0.00 0.00 0.00 176.35 175.14 1xeb s SER 116 N -2.10 5.17 0.27 1.48 0.15 -1.26 -4.55 113.70 112.86 1xeb s SER 116 Ca -0.04 -0.44 0.12 0.00 0.70 0.00 0.00 55.95 56.28 1xeb s SER 116 Cb -0.00 -1.92 -0.05 0.00 -1.71 0.00 0.00 66.02 62.34 1xeb s SER 116 CO -0.03 -0.12 -0.18 0.00 1.20 0.00 0.00 173.24 174.11 1xeb s ALA 117 N 1.57 2.79 0.36 5.45 0.00 -0.59 -4.90 121.76 126.43 1xeb s ALA 117 Ca 0.05 -1.83 -0.28 0.00 0.00 0.00 0.00 51.96 49.90 1xeb s ALA 117 Cb -0.16 -0.33 -0.12 0.00 0.00 0.00 0.00 23.12 22.51 1xeb s ALA 117 CO 0.03 0.29 1.39 1.04 0.00 0.00 0.00 175.76 178.52 1xeb n GLN 118 N -0.58 2.41 -0.19 0.00 6.02 -1.26 -0.28 117.38 123.49 1xeb n GLN 118 Ca -0.06 0.84 -0.02 0.00 -0.01 0.00 0.00 57.00 57.76 1xeb n GLN 118 Cb 0.60 -2.51 0.05 0.00 1.02 0.00 0.00 30.24 29.40 1xeb n GLN 118 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xeb h ALA 119 N 2.74 0.32 -0.71 -1.58 0.00 -0.55 -2.46 119.26 117.01 1xeb h ALA 119 Ca -0.49 0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1xeb h ALA 119 Cb 1.26 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 19.52 1xeb h ALA 119 CO 0.63 -0.47 0.29 1.12 0.00 0.00 0.00 179.25 180.83 1xeb h HIS 120 N -0.03 1.06 0.00 0.00 2.07 -1.90 -2.77 115.15 113.57 1xeb h HIS 120 Ca 0.28 -0.07 0.00 0.00 -2.85 0.00 0.00 60.37 57.73 1xeb h HIS 120 Cb 0.46 -0.32 0.00 0.00 2.57 0.00 0.00 27.41 30.12 1xeb h HIS 120 CO -0.51 0.80 0.00 1.28 -3.07 0.00 0.00 177.93 176.43 1xeb n LEU 121 N -4.30 0.37 -0.21 6.12 4.77 -0.93 -3.89 117.00 118.94 1xeb n LEU 121 Ca 0.06 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1xeb n LEU 121 Cb 0.17 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1xeb n LEU 121 CO 0.40 0.09 0.15 1.67 -1.33 0.00 0.00 177.39 178.37 1xeb n GLN 122 N 0.02 0.39 -0.02 3.23 7.27 -1.05 -2.55 117.38 124.66 1xeb n GLN 122 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.02 1xeb n GLN 122 Cb 0.09 -1.08 -0.02 0.00 2.41 0.00 0.00 30.24 31.64 1xeb n GLN 122 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xeb n ALA 123 N -0.17 2.62 -0.19 1.69 0.00 -1.25 -4.13 120.51 119.08 1xeb n ALA 123 Ca 0.00 -0.19 0.06 0.00 0.00 0.00 0.00 53.44 53.31 1xeb n ALA 123 Cb 0.04 0.44 0.34 0.00 0.00 0.00 0.00 19.45 20.26 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 -0.15 0.79 0.05 0.00 5.03 -1.81 -0.51 116.97 120.36 1xeb h TYR 124 Ca -0.12 0.02 -0.15 0.00 2.58 0.00 0.00 58.73 61.06 1xeb h TYR 124 Cb 1.11 -0.26 0.01 0.00 1.55 0.00 0.00 36.73 39.14 1xeb h TYR 124 CO -0.01 0.43 -0.62 1.88 -1.32 0.00 0.00 178.16 178.51 1xeb h TYR 125 N 0.79 0.53 -1.03 -3.82 0.05 -1.83 -3.15 116.97 108.50 1xeb h TYR 125 Ca 0.31 -0.33 0.27 0.00 0.05 0.00 0.00 58.73 59.04 1xeb h TYR 125 Cb 0.20 -0.05 -0.12 0.00 1.01 0.00 0.00 36.73 37.77 1xeb h TYR 125 CO -0.00 1.18 0.63 0.78 -1.05 0.00 0.00 178.16 179.70 1xeb h GLY 126 N -0.27 1.70 -0.62 3.88 0.00 -1.51 0.38 103.07 106.64 1xeb h GLY 126 Ca -0.09 -0.26 0.34 0.00 0.00 0.00 0.00 47.33 47.32 1xeb h GLY 126 CO 0.12 -0.26 0.54 3.21 0.00 0.00 0.00 176.54 180.15 1xeb h ARG 127 N 0.46 0.24 -0.25 4.80 2.47 -1.08 1.08 114.38 122.10 1xeb h ARG 127 Ca 0.66 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.36 1xeb h ARG 127 Cb 1.45 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.72 1xeb h ARG 127 CO -0.44 0.16 0.00 0.66 0.56 0.00 0.00 179.97 180.91 1xeb n TYR 128 N -5.11 0.34 0.00 3.04 4.01 0.13 -4.87 117.16 114.70 1xeb n TYR 128 Ca 0.32 -0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 1xeb n TYR 128 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.06 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 1.01 1.01 3.86 2.72 0.00 0.37 -5.07 105.19 109.09 1xeb n GLY 129 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 3.49 -0.08 1.61 0.08 -1.17 -4.49 117.98 115.42 1xeb s PHE 130 Ca 0.00 1.24 -0.08 0.00 0.12 0.00 0.00 56.93 58.21 1xeb s PHE 130 Cb 0.00 -2.62 0.02 0.00 -0.57 0.00 0.00 43.02 39.85 1xeb s PHE 130 CO 0.00 -0.32 0.22 0.08 -0.10 0.00 0.00 175.22 175.11 1xeb s VAL 131 N -2.63 0.00 0.29 -0.44 1.01 -0.59 -4.09 120.40 113.95 1xeb s VAL 131 Ca 0.55 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 1xeb s VAL 131 Cb -0.10 -0.33 -0.12 0.00 0.00 0.00 0.00 36.38 35.83 1xeb s VAL 131 CO 0.36 -0.01 1.62 0.00 0.00 0.00 0.00 175.10 177.06 1xeb n ALA 132 N 2.90 2.62 -0.31 5.51 0.00 -1.26 -1.18 120.51 128.79 1xeb n ALA 132 Ca -0.13 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1xeb n ALA 132 Cb 0.58 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.56 1xeb n ALA 132 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1xeb n VAL 133 N 2.34 0.00 -4.31 0.00 0.24 0.20 -4.89 118.33 111.91 1xeb n VAL 133 Ca 0.09 -0.31 -0.16 0.00 -2.04 0.00 0.00 64.34 61.92 1xeb n VAL 133 Cb 0.37 1.31 -0.10 0.00 -1.47 0.00 0.00 33.84 33.94 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 -0.13 0.48 0.92 3.34 -4.23 -1.15 -4.98 115.64 109.89 1xeb s THR 134 Ca 0.00 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.38 1xeb s THR 134 Cb 0.00 -2.61 0.14 0.00 1.34 0.00 0.00 72.50 71.38 1xeb s THR 134 CO 0.00 0.00 1.15 -0.70 -0.54 0.00 0.00 174.62 174.53 1xeb s GLU 135 N -4.02 1.05 0.06 3.99 2.56 -1.26 -4.61 118.70 116.47 1xeb s GLU 135 Ca 0.38 0.22 -0.27 0.00 0.00 0.00 0.00 54.97 55.30 1xeb s GLU 135 Cb 0.07 -1.84 -0.05 0.00 2.00 0.00 0.00 34.13 34.31 1xeb s GLU 135 CO 0.14 -2.24 0.84 0.54 -0.56 0.00 0.00 175.26 173.97 1xeb s VAL 136 N -3.32 4.66 0.13 3.70 0.11 -1.26 -4.51 120.40 119.92 1xeb s VAL 136 Ca 0.65 1.79 -0.01 0.00 -2.93 0.00 0.00 61.98 61.48 1xeb s VAL 136 Cb -0.14 -4.19 -0.04 0.00 -1.53 0.00 0.00 36.38 30.48 1xeb s VAL 136 CO 0.53 0.34 0.04 -0.72 -3.33 0.00 0.00 175.10 171.96 1xeb s TYR 137 N 0.02 0.88 -0.06 1.54 -0.85 -0.17 -5.00 117.35 113.71 1xeb s TYR 137 Ca 0.42 -1.18 -0.17 0.00 -0.52 0.00 0.00 57.07 55.61 1xeb s TYR 137 Cb -0.21 -0.50 -0.05 0.00 0.38 0.00 0.00 41.96 41.57 1xeb s TYR 137 CO 0.25 -0.45 0.46 -0.51 -1.52 0.00 0.00 175.55 173.78 1xeb s LEU 138 N -3.05 4.37 0.00 -3.49 2.01 -1.26 0.52 118.68 117.77 1xeb s LEU 138 Ca 0.22 0.91 0.00 0.00 0.01 0.00 0.00 54.13 55.27 1xeb s LEU 138 Cb 0.07 -2.68 0.00 0.00 0.01 0.00 0.00 46.19 43.60 1xeb s LEU 138 CO 0.01 0.14 0.00 1.21 1.01 0.00 0.00 176.35 178.72 1xeb n GLU 139 N 2.84 1.39 -1.33 1.70 2.13 -1.26 -4.89 120.64 121.22 1xeb n GLU 139 Ca -0.10 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.33 1xeb n GLU 139 Cb 0.52 -0.73 -0.03 0.00 0.27 0.00 0.00 31.44 31.47 1xeb n GLU 139 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1xeb n PRO 143 N -1.35 2.32 -2.90 5.31 -0.04 -1.25 -5.22 135.00 131.87 1xeb n PRO 143 Ca 0.00 -2.12 -0.18 0.00 -0.04 0.00 0.00 63.50 61.17 1xeb n PRO 143 Cb 0.23 -2.98 0.04 0.00 -0.04 0.00 0.00 33.50 30.74 1xeb n PRO 143 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1xeb n HIS 144 N 6.11 -1.82 -3.68 0.54 8.25 0.18 0.14 115.22 124.95 1xeb n HIS 144 Ca 0.53 -1.80 -0.14 0.00 -0.26 0.00 0.00 57.72 56.05 1xeb n HIS 144 Cb 0.34 -0.42 -0.08 0.00 1.12 0.00 0.00 29.99 30.95 1xeb n HIS 144 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1xeb s ILE 145 N -2.06 0.01 0.57 1.59 2.07 0.62 -1.00 121.20 122.99 1xeb s ILE 145 Ca 0.41 -0.06 -0.06 0.00 -1.41 0.00 0.00 60.65 59.54 1xeb s ILE 145 Cb -0.03 -0.75 0.00 0.00 0.13 0.00 0.00 42.46 41.80 1xeb s ILE 145 CO 0.26 -0.03 0.88 -0.83 -1.91 0.00 0.00 174.94 173.31 1xeb s GLY 146 N -0.11 1.59 0.00 1.50 0.00 -1.26 -1.55 107.32 107.49 1xeb s GLY 146 Ca -0.03 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1xeb s GLY 146 CO 0.02 -0.40 0.00 -0.96 0.00 0.00 0.00 173.10 171.76 1xeb n ARG 148 N -2.52 0.00 -3.78 2.90 -4.01 -0.33 0.62 116.66 109.54 1xeb n ARG 148 Ca 0.04 0.00 -0.13 0.00 -1.04 0.00 0.00 57.85 56.72 1xeb n ARG 148 Cb 0.57 0.00 -0.10 0.00 -3.04 0.00 0.00 32.46 29.89 1xeb n ARG 148 CO 0.00 0.00 0.00 -0.98 -3.04 0.00 0.00 177.63 173.61 1xeb s ARG 149 N -2.00 0.49 0.00 2.89 1.70 -0.16 -1.55 118.95 120.32 1xeb s ARG 149 Ca 0.00 0.06 0.00 0.00 -0.47 0.00 0.00 55.73 55.32 1xeb s ARG 149 Cb 0.00 0.22 0.00 0.00 -0.57 0.00 0.00 34.95 34.60 1xeb s ARG 149 CO 0.00 -0.11 0.44 0.00 -1.08 0.00 0.00 175.30 174.56