#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m52 s SER 0 N 0.00 -0.90 -0.09 1.61 0.15 -1.26 -5.16 113.70 108.05 3m52 s SER 0 Ca 0.00 1.42 0.02 0.00 0.70 0.00 0.00 55.95 58.09 3m52 s SER 0 Cb 0.00 1.60 -0.02 0.00 -1.71 0.00 0.00 66.02 65.89 3m52 s SER 0 CO 0.00 -0.23 -0.13 -0.32 1.20 0.00 0.00 173.24 173.76 3m52 s MET 1 N 2.08 2.98 -0.10 5.44 1.75 -1.26 -5.12 119.30 125.07 3m52 s MET 1 Ca -0.08 -0.69 -0.22 0.00 -1.25 0.00 0.00 55.69 53.45 3m52 s MET 1 Cb -0.08 -2.52 -0.03 0.00 2.84 0.00 0.00 34.83 35.04 3m52 s MET 1 CO -0.18 0.41 0.66 0.34 -0.65 0.00 0.00 175.02 175.59 3m52 s ASP 2 N -0.16 6.88 -0.64 1.11 2.15 -1.26 -5.02 116.67 119.73 3m52 s ASP 2 Ca -0.00 1.06 0.06 0.00 0.43 0.00 0.00 52.55 54.10 3m52 s ASP 2 Cb -0.13 -2.38 0.22 0.00 -0.30 0.00 0.00 42.92 40.33 3m52 s ASP 2 CO 0.03 -0.14 0.64 2.22 -0.17 0.00 0.00 175.17 177.76 3m52 n PHE 3 N 4.06 3.18 0.31 -5.34 1.16 -1.26 -4.98 117.46 114.60 3m52 n PHE 3 Ca -0.02 -4.15 0.20 0.00 -1.87 0.00 0.00 57.45 51.61 3m52 n PHE 3 Cb 0.51 -0.55 0.99 0.00 -1.61 0.00 0.00 39.48 38.82 3m52 n PHE 3 CO 0.00 0.00 0.00 -1.00 -1.87 0.00 0.00 176.76 173.89 3m52 h PRO 4 N 4.59 0.00 0.00 3.97 0.13 -2.04 -1.37 132.00 137.28 3m52 h PRO 4 Ca 0.18 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3m52 h PRO 4 Cb 0.71 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.84 3m52 h PRO 4 CO 0.77 0.00 -0.01 1.96 -0.23 0.00 0.00 178.00 180.49 3m52 h GLN 5 N 0.00 0.00 0.00 0.86 7.50 -2.02 -2.65 115.11 118.80 3m52 h GLN 5 Ca -0.00 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.09 3m52 h GLN 5 Cb 0.23 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.75 3m52 h GLN 5 CO 0.00 0.01 -0.31 1.25 -1.50 0.00 0.00 178.83 178.28 3m52 h HIS 6 N 0.00 0.00 0.18 2.96 6.17 -1.68 -2.49 115.15 120.29 3m52 h HIS 6 Ca -0.00 0.00 0.01 0.00 0.71 0.00 0.00 60.37 61.09 3m52 h HIS 6 Cb 0.13 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 30.03 3m52 h HIS 6 CO 0.00 0.31 -0.32 0.77 0.71 0.00 0.00 177.93 179.40 3m52 h SER 7 N 0.00 -0.90 -0.60 3.26 0.02 -1.68 -1.45 113.55 112.20 3m52 h SER 7 Ca -0.00 0.10 0.14 0.00 -0.84 0.00 0.00 61.79 61.18 3m52 h SER 7 Cb 0.57 0.33 -0.03 0.00 0.14 0.00 0.00 62.40 63.41 3m52 h SER 7 CO 0.04 -0.42 0.42 1.56 -1.14 0.00 0.00 176.83 177.29 3m52 h GLN 8 N -0.58 0.20 -0.34 3.45 4.20 -1.63 -0.44 115.11 119.97 3m52 h GLN 8 Ca 0.02 -0.01 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 3m52 h GLN 8 Cb 0.58 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 3m52 h GLN 8 CO -0.15 0.13 -0.38 1.25 -0.67 0.00 0.00 178.83 179.02 3m52 h HIS 9 N 0.21 1.04 -0.03 2.96 2.76 -1.00 -2.24 115.15 118.84 3m52 h HIS 9 Ca 0.29 -0.32 -0.01 0.00 -2.20 0.00 0.00 60.37 58.13 3m52 h HIS 9 Cb 0.85 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 29.60 3m52 h HIS 9 CO -0.00 1.13 -0.01 0.28 -1.30 0.00 0.00 177.93 178.02 3m52 h VAL 10 N 0.65 1.32 -0.41 5.26 2.07 -0.04 -2.33 116.25 122.77 3m52 h VAL 10 Ca 0.05 -0.97 -0.14 0.00 0.82 0.00 0.00 66.70 66.47 3m52 h VAL 10 Cb 0.97 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 3m52 h VAL 10 CO 0.09 0.26 -0.29 0.25 0.02 0.00 0.00 177.57 177.90 3m52 h LEU 11 N -0.33 0.93 -0.64 2.57 5.85 -1.50 -0.38 115.31 121.82 3m52 h LEU 11 Ca 0.01 -0.38 0.07 0.00 0.84 0.00 0.00 57.88 58.42 3m52 h LEU 11 Cb 0.42 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 3m52 h LEU 11 CO 0.00 1.15 0.32 -0.33 -0.34 0.00 0.00 178.44 179.25 3m52 h GLU 12 N 0.76 0.57 -0.03 1.25 5.08 -1.45 -0.84 114.58 119.93 3m52 h GLU 12 Ca 0.08 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.25 3m52 h GLU 12 Cb 0.86 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 3m52 h GLU 12 CO 0.08 0.38 -0.69 1.96 -1.00 0.00 0.00 179.01 179.73 3m52 h GLN 13 N 0.59 0.14 -0.45 2.33 1.08 -1.23 -1.41 115.11 116.15 3m52 h GLN 13 Ca 0.30 -0.11 -0.10 0.00 -1.45 0.00 0.00 58.65 57.28 3m52 h GLN 13 Cb 0.25 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 3m52 h GLN 13 CO -0.22 0.77 -0.13 -0.07 -0.95 0.00 0.00 178.83 178.24 3m52 h LEU 14 N 0.09 0.83 -0.61 1.46 3.38 -0.69 -0.70 115.31 119.08 3m52 h LEU 14 Ca -0.01 -0.26 -0.14 0.00 0.09 0.00 0.00 57.88 57.56 3m52 h LEU 14 Cb 1.23 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3m52 h LEU 14 CO 0.10 0.97 -0.38 -1.13 0.09 0.00 0.00 178.44 178.09 3m52 h ASN 15 N 0.74 0.72 -0.90 -0.43 -1.24 -1.05 -2.22 115.58 111.21 3m52 h ASN 15 Ca 0.12 -0.31 0.05 0.00 0.71 0.00 0.00 56.30 56.87 3m52 h ASN 15 Cb 0.64 -0.20 -0.06 0.00 0.73 0.00 0.00 38.32 39.42 3m52 h ASN 15 CO 0.04 1.02 0.57 -0.61 -1.29 0.00 0.00 177.43 177.17 3m52 h GLN 16 N 0.56 1.03 -0.55 6.67 -0.00 -1.04 -1.68 115.11 120.11 3m52 h GLN 16 Ca 0.05 -0.06 -0.03 0.00 -0.00 0.00 0.00 58.65 58.61 3m52 h GLN 16 Cb 0.90 -0.23 -0.02 0.00 0.00 0.00 0.00 27.48 28.12 3m52 h GLN 16 CO 0.08 0.68 0.23 1.96 0.00 0.00 0.00 178.83 181.79 3m52 h GLN 17 N 1.06 0.81 -0.73 1.69 4.20 -0.84 -2.15 115.11 119.15 3m52 h GLN 17 Ca 0.38 -0.14 0.01 0.00 0.06 0.00 0.00 58.65 58.96 3m52 h GLN 17 Cb 0.12 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 3m52 h GLN 17 CO -0.16 0.69 0.47 -0.09 -0.67 0.00 0.00 178.83 179.08 3m52 h ARG 18 N 0.74 0.96 -0.51 1.46 2.43 -1.23 0.26 114.38 118.49 3m52 h ARG 18 Ca 0.18 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 3m52 h ARG 18 Cb 0.17 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 3m52 h ARG 18 CO -0.02 0.64 0.33 0.37 -1.51 0.00 0.00 179.97 179.78 3m52 h GLN 19 N 0.99 0.65 -0.20 0.20 4.15 -1.02 -3.00 115.11 116.88 3m52 h GLN 19 Ca 0.27 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.65 3m52 h GLN 19 Cb -0.10 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.44 3m52 h GLN 19 CO -0.06 0.43 0.00 1.28 -1.93 0.00 0.00 178.83 178.55 3m52 n LEU 20 N -4.75 1.86 -1.78 -2.39 4.77 -0.83 -4.94 117.00 108.94 3m52 n LEU 20 Ca 0.03 -0.79 -0.08 0.00 -0.03 0.00 0.00 56.01 55.14 3m52 n LEU 20 Cb 0.03 -0.13 0.03 0.00 -2.33 0.00 0.00 43.42 41.03 3m52 n LEU 20 CO 0.34 0.40 0.07 0.61 -1.33 0.00 0.00 177.39 177.48 3m52 n GLY 21 N 1.16 0.27 3.16 -0.72 0.00 -0.81 -5.04 105.19 103.21 3m52 n GLY 21 Ca 0.16 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 3m52 n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m52 s LEU 22 N -3.50 2.00 -2.05 0.99 1.02 0.85 -4.74 118.68 113.26 3m52 s LEU 22 Ca 0.12 -0.54 0.00 0.00 0.02 0.00 0.00 54.13 53.73 3m52 s LEU 22 Cb -0.05 -1.33 0.00 0.00 0.02 0.00 0.00 46.19 44.83 3m52 s LEU 22 CO 0.27 0.09 0.00 0.18 0.02 0.00 0.00 176.35 176.92 3m52 n LEU 23 N 3.89 -1.36 -4.72 1.79 4.77 -1.26 -4.39 117.00 115.73 3m52 n LEU 23 Ca -0.20 0.48 -0.41 0.00 -0.03 0.00 0.00 56.01 55.85 3m52 n LEU 23 Cb 0.52 -2.78 -0.04 0.00 -2.33 0.00 0.00 43.42 38.79 3m52 n LEU 23 CO 0.27 -1.06 0.63 0.00 -1.33 0.00 0.00 177.39 175.90 3m52 n ASP 25 N 3.48 1.17 -3.71 0.00 5.75 -0.79 -4.93 116.55 117.52 3m52 n ASP 25 Ca 0.04 -1.28 -0.13 0.00 -0.01 0.00 0.00 54.79 53.40 3m52 n ASP 25 Cb 0.50 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.53 3m52 n ASP 25 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3m52 s THR 27 N -3.65 0.91 -0.13 0.00 -1.32 -1.26 -1.65 115.64 108.54 3m52 s THR 27 Ca 0.32 -0.24 -0.20 0.00 -1.21 0.00 0.00 61.69 60.36 3m52 s THR 27 Cb 0.02 -0.93 -0.04 0.00 -1.51 0.00 0.00 72.50 70.04 3m52 s THR 27 CO 0.16 0.34 0.56 0.12 -2.21 0.00 0.00 174.62 173.59 3m52 s PHE 28 N 1.55 3.48 -0.23 9.09 2.19 0.32 -4.89 117.98 129.49 3m52 s PHE 28 Ca 0.01 0.96 -0.06 0.00 0.33 0.00 0.00 56.93 58.18 3m52 s PHE 28 Cb -0.13 -2.67 -0.02 0.00 -1.31 0.00 0.00 43.02 38.89 3m52 s PHE 28 CO -0.06 0.06 0.01 0.08 1.83 0.00 0.00 175.22 177.14 3m52 s VAL 29 N 1.02 3.91 -0.19 3.12 1.01 -1.26 -1.36 120.40 126.65 3m52 s VAL 29 Ca 0.29 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 3m52 s VAL 29 Cb -0.16 -2.80 0.05 0.00 0.00 0.00 0.00 36.38 33.47 3m52 s VAL 29 CO 0.12 0.39 -0.04 -0.69 0.00 0.00 0.00 175.10 174.89 3m52 s VAL 30 N 1.39 1.13 -1.61 2.92 1.01 -0.64 -4.45 120.40 120.14 3m52 s VAL 30 Ca 0.05 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 3m52 s VAL 30 Cb -0.15 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.84 3m52 s VAL 30 CO 0.01 -0.00 0.29 0.47 0.00 0.00 0.00 175.10 175.86 3m52 n ASP 31 N 4.85 -5.83 0.00 3.32 8.00 0.17 -1.99 116.55 125.06 3m52 n ASP 31 Ca -0.11 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.24 3m52 n ASP 31 Cb 0.46 -4.76 0.00 0.00 -0.02 0.00 0.00 41.12 36.81 3m52 n ASP 31 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3m52 n GLY 32 N -1.25 2.57 3.75 0.44 0.00 -1.26 -5.03 105.19 104.41 3m52 n GLY 32 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 3m52 n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m52 s VAL 33 N -2.18 4.34 -0.22 1.61 1.01 -0.84 -5.04 120.40 119.08 3m52 s VAL 33 Ca 0.00 1.93 -0.19 0.00 0.00 0.00 0.00 61.98 63.72 3m52 s VAL 33 Cb 0.00 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 3m52 s VAL 33 CO 0.00 0.44 0.54 -1.00 0.00 0.00 0.00 175.10 175.09 3m52 s HIS 34 N -0.74 3.33 -0.09 5.22 3.76 -1.26 -1.62 115.29 123.88 3m52 s HIS 34 Ca 0.41 0.75 0.03 0.00 -0.15 0.00 0.00 55.06 56.10 3m52 s HIS 34 Cb -0.24 -2.72 -0.01 0.00 1.11 0.00 0.00 32.58 30.72 3m52 s HIS 34 CO 0.29 -0.19 -0.19 -0.06 -0.85 0.00 0.00 174.74 173.74 3m52 s PHE 35 N 1.97 2.65 0.24 1.40 0.40 -0.46 -4.99 117.98 119.18 3m52 s PHE 35 Ca 0.24 -0.67 -0.30 0.00 -0.60 0.00 0.00 56.93 55.60 3m52 s PHE 35 Cb -0.16 -1.72 -0.09 0.00 0.51 0.00 0.00 43.02 41.57 3m52 s PHE 35 CO 0.09 -0.19 0.93 0.15 0.70 0.00 0.00 175.22 176.91 3m52 s LYS 36 N 0.03 4.85 0.31 0.44 -0.14 -1.26 -0.52 119.74 123.45 3m52 s LYS 36 Ca -0.07 1.47 -0.08 0.00 -1.36 0.00 0.00 55.97 55.93 3m52 s LYS 36 Cb -0.15 -3.28 0.01 0.00 -1.68 0.00 0.00 37.83 32.73 3m52 s LYS 36 CO 0.05 0.52 0.52 0.00 -0.76 0.00 0.00 175.35 175.68 3m52 s ALA 37 N -1.17 0.17 -0.22 5.17 0.00 -0.66 -4.89 121.76 120.16 3m52 s ALA 37 Ca 0.41 -1.17 -0.13 0.00 0.00 0.00 0.00 51.96 51.08 3m52 s ALA 37 Cb -0.26 1.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.87 3m52 s ALA 37 CO 0.32 -0.84 0.25 -1.01 0.00 0.00 0.00 175.76 174.48 3m52 s HIS 38 N -3.34 3.34 0.23 0.00 0.09 -1.26 -1.88 115.29 112.48 3m52 s HIS 38 Ca 0.25 0.38 -0.08 0.00 -0.00 0.00 0.00 55.06 55.61 3m52 s HIS 38 Cb -0.01 -2.36 0.39 0.00 -0.00 0.00 0.00 32.58 30.60 3m52 s HIS 38 CO 0.15 0.05 1.65 0.87 -0.00 0.00 0.00 174.74 177.46 3m52 h LYS 39 N 7.41 0.13 -0.70 1.40 1.57 -1.91 -2.30 116.57 122.17 3m52 h LYS 39 Ca -0.37 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.42 3m52 h LYS 39 Cb 1.17 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.40 3m52 h LYS 39 CO 0.68 0.09 0.44 0.00 -0.57 0.00 0.00 179.45 180.09 3m52 h ALA 40 N 1.64 0.91 -0.21 3.86 0.00 -1.98 -0.00 119.26 123.48 3m52 h ALA 40 Ca 0.38 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 3m52 h ALA 40 Cb 0.65 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3m52 h ALA 40 CO -0.59 0.23 0.12 0.28 0.00 0.00 0.00 179.25 179.29 3m52 h VAL 41 N 0.87 1.11 -0.47 0.00 2.07 -1.86 -1.16 116.25 116.80 3m52 h VAL 41 Ca 0.28 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 3m52 h VAL 41 Cb 0.00 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3m52 h VAL 41 CO -0.10 0.10 0.19 -0.07 0.02 0.00 0.00 177.57 177.71 3m52 h LEU 42 N 0.24 0.64 -1.43 2.57 3.38 -1.12 -2.36 115.31 117.24 3m52 h LEU 42 Ca 0.07 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3m52 h LEU 42 Cb 0.06 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3m52 h LEU 42 CO -0.01 0.62 0.10 0.00 0.09 0.00 0.00 178.44 179.24 3m52 h ALA 43 N 1.04 1.55 -0.04 1.53 0.00 -0.97 -0.90 119.26 121.46 3m52 h ALA 43 Ca 0.16 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3m52 h ALA 43 Cb 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3m52 h ALA 43 CO -0.01 0.34 -0.55 0.00 0.00 0.00 0.00 179.25 179.03 3m52 h ALA 44 N 1.64 1.00 0.00 0.00 0.00 -0.80 -3.27 119.26 117.83 3m52 h ALA 44 Ca 0.11 -0.50 -0.19 0.00 0.00 0.00 0.00 54.91 54.34 3m52 h ALA 44 Cb 0.16 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3m52 h ALA 44 CO -0.01 0.69 -1.61 0.00 0.00 0.00 0.00 179.25 178.32 3m52 s SER 46 N -5.63 0.28 0.40 0.00 0.15 -0.39 -4.62 113.70 103.88 3m52 s SER 46 Ca -0.04 0.24 0.08 0.00 0.70 0.00 0.00 55.95 56.93 3m52 s SER 46 Cb 0.09 0.13 0.83 0.00 -1.71 0.00 0.00 66.02 65.36 3m52 s SER 46 CO 0.82 -0.18 1.99 -0.08 1.20 0.00 0.00 173.24 176.99 3m52 h GLU 47 N 7.68 0.38 -0.14 5.44 4.57 -1.78 -0.03 114.58 130.70 3m52 h GLU 47 Ca -0.32 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 57.81 3m52 h GLU 47 Cb 1.13 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.63 3m52 h GLU 47 CO 0.33 0.36 0.06 -0.92 -1.18 0.00 0.00 179.01 177.66 3m52 h TYR 48 N 0.38 0.11 -0.39 0.92 3.20 -1.85 -0.38 116.97 118.95 3m52 h TYR 48 Ca 0.09 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.86 3m52 h TYR 48 Cb 0.16 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 3m52 h TYR 48 CO 0.00 0.06 -0.19 0.74 -1.64 0.00 0.00 178.16 177.14 3m52 h PHE 49 N 0.14 0.94 -0.49 -3.82 0.04 -1.73 -0.22 116.94 111.80 3m52 h PHE 49 Ca 0.06 -0.23 0.10 0.00 2.80 0.00 0.00 57.97 60.69 3m52 h PHE 49 Cb 0.02 -0.22 -0.08 0.00 2.20 0.00 0.00 35.95 37.87 3m52 h PHE 49 CO -0.10 0.99 -0.03 -0.22 -0.60 0.00 0.00 178.31 178.35 3m52 h LYS 50 N 0.62 0.08 -0.46 1.51 3.64 -0.94 -2.12 116.57 118.90 3m52 h LYS 50 Ca 0.09 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.36 3m52 h LYS 50 Cb 0.74 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 3m52 h LYS 50 CO 0.06 0.05 -0.13 1.98 -2.27 0.00 0.00 179.45 179.14 3m52 h MET 51 N 0.08 0.87 -0.18 1.90 4.05 -0.88 -3.04 114.93 117.73 3m52 h MET 51 Ca 0.24 -0.31 -0.05 0.00 -0.28 0.00 0.00 59.70 59.30 3m52 h MET 51 Cb 0.37 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 3m52 h MET 51 CO -0.43 0.95 -0.11 1.25 0.23 0.00 0.00 176.91 178.80 3m52 h LEU 52 N 0.77 0.27 0.00 3.39 5.85 -0.39 -1.98 115.31 123.22 3m52 h LEU 52 Ca 0.12 -0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.66 3m52 h LEU 52 Cb 0.65 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 3m52 h LEU 52 CO 0.05 0.41 -0.89 -0.26 -0.34 0.00 0.00 178.44 177.41 3m52 h PHE 53 N 0.27 0.00 0.36 1.25 0.04 -1.42 -3.20 116.94 114.24 3m52 h PHE 53 Ca 0.06 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.81 3m52 h PHE 53 Cb 0.37 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.52 3m52 h PHE 53 CO 0.01 0.52 -0.17 0.28 -0.60 0.00 0.00 178.31 178.34 3m52 h VAL 54 N 0.00 0.00 -2.06 -0.55 2.07 -1.37 -3.44 116.25 110.90 3m52 h VAL 54 Ca -0.07 -0.43 -0.43 0.00 0.82 0.00 0.00 66.70 66.60 3m52 h VAL 54 Cb 1.45 0.00 -0.32 0.00 -1.52 0.00 0.00 31.29 30.90 3m52 h VAL 54 CO 0.06 0.00 -0.75 -0.62 0.02 0.00 0.00 177.57 176.28 3m52 s ASP 55 N -4.35 1.35 0.47 0.57 -1.08 -0.77 -5.01 116.67 107.85 3m52 s ASP 55 Ca -0.07 -1.93 0.13 0.00 -0.52 0.00 0.00 52.55 50.17 3m52 s ASP 55 Cb 0.01 0.33 1.11 0.00 -1.46 0.00 0.00 42.92 42.91 3m52 s ASP 55 CO 0.21 -0.24 2.09 0.06 0.52 0.00 0.00 175.17 177.81 3m52 h GLN 56 N 6.70 0.24 0.00 4.34 3.07 -1.75 -3.08 115.11 124.63 3m52 h GLN 56 Ca 0.09 -0.01 -0.03 0.00 0.09 0.00 0.00 58.65 58.78 3m52 h GLN 56 Cb 1.02 -0.05 -0.00 0.00 0.08 0.00 0.00 27.48 28.52 3m52 h GLN 56 CO 0.22 0.16 -0.16 0.87 0.09 0.00 0.00 178.83 180.01 3m52 h LYS 57 N 0.25 0.00 -0.24 0.06 1.57 -1.95 -3.12 116.57 113.14 3m52 h LYS 57 Ca 0.11 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 3m52 h LYS 57 Cb 0.12 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.36 3m52 h LYS 57 CO -0.02 0.16 -0.17 -0.40 -0.57 0.00 0.00 179.45 178.45 3m52 n ASP 58 N -3.45 2.38 -4.65 0.86 5.68 -1.16 -4.95 116.55 111.26 3m52 n ASP 58 Ca -0.01 -3.72 -0.34 0.00 -0.50 0.00 0.00 54.79 50.22 3m52 n ASP 58 Cb 0.34 -0.59 -0.10 0.00 -1.14 0.00 0.00 41.12 39.62 3m52 n ASP 58 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3m52 s VAL 59 N -3.20 4.05 0.11 2.12 1.01 -1.18 -5.07 120.40 118.24 3m52 s VAL 59 Ca 0.42 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 3m52 s VAL 59 Cb 0.39 -2.72 -0.16 0.00 0.00 0.00 0.00 36.38 33.88 3m52 s VAL 59 CO -0.01 0.53 0.66 0.55 0.00 0.00 0.00 175.10 176.83 3m52 n VAL 60 N 1.93 1.13 -2.09 2.92 3.14 -1.26 -4.80 118.33 119.30 3m52 n VAL 60 Ca -0.17 -0.28 -0.42 0.00 -2.96 0.00 0.00 64.34 60.50 3m52 n VAL 60 Cb 0.53 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.31 3m52 n VAL 60 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 3m52 n HIS 61 N 0.51 3.48 -3.96 1.45 8.25 -1.26 -4.86 115.22 118.82 3m52 n HIS 61 Ca 0.17 -2.92 -0.29 0.00 -0.26 0.00 0.00 57.72 54.42 3m52 n HIS 61 Cb 0.17 -2.31 -0.16 0.00 1.12 0.00 0.00 29.99 28.80 3m52 n HIS 61 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3m52 s LEU 62 N 1.44 1.72 -0.44 2.41 0.20 -1.26 -5.09 118.68 117.65 3m52 s LEU 62 Ca 0.44 -0.58 -0.29 0.00 0.69 0.00 0.00 54.13 54.39 3m52 s LEU 62 Cb 0.11 -1.07 0.02 0.00 -0.43 0.00 0.00 46.19 44.82 3m52 s LEU 62 CO -0.04 -0.12 1.24 -0.62 -0.29 0.00 0.00 176.35 176.53 3m52 s ASP 63 N 1.54 6.54 -0.02 3.68 -1.08 -1.26 -4.89 116.67 121.18 3m52 s ASP 63 Ca 0.03 0.64 0.22 0.00 -0.52 0.00 0.00 52.55 52.92 3m52 s ASP 63 Cb -0.14 -2.55 0.65 0.00 -1.46 0.00 0.00 42.92 39.43 3m52 s ASP 63 CO -0.09 -1.30 1.55 2.30 0.52 0.00 0.00 175.17 178.15 3m52 n ILE 64 N 6.87 1.11 -0.31 4.11 -5.35 -1.26 -4.51 119.36 120.01 3m52 n ILE 64 Ca 0.14 -1.00 0.21 0.00 -0.27 0.00 0.00 62.75 61.83 3m52 n ILE 64 Cb 0.48 0.42 0.49 0.00 -1.74 0.00 0.00 39.64 39.29 3m52 n ILE 64 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 3m52 h SER 65 N 4.20 0.48 -0.03 7.28 0.87 -1.91 -2.00 113.55 122.44 3m52 h SER 65 Ca 0.00 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3m52 h SER 65 Cb 1.05 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 3m52 h SER 65 CO 0.04 0.12 0.00 0.59 -0.53 0.00 0.00 176.83 177.05 3m52 n ASN 66 N -4.62 2.76 -4.63 6.23 3.02 -1.26 0.42 115.26 117.18 3m52 n ASN 66 Ca 0.24 -1.92 -0.49 0.00 -0.03 0.00 0.00 54.58 52.38 3m52 n ASN 66 Cb 0.81 -0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.92 3m52 n ASN 66 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3m52 n ALA 67 N 1.16 0.11 -1.92 5.41 0.00 -0.76 -4.91 120.51 119.60 3m52 n ALA 67 Ca 0.15 0.48 -0.42 0.00 0.00 0.00 0.00 53.44 53.65 3m52 n ALA 67 Cb 0.56 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 17.78 3m52 n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m52 s ALA 68 N 0.80 3.69 0.00 0.00 0.00 -1.26 -2.72 121.76 122.26 3m52 s ALA 68 Ca 0.82 1.34 0.00 0.00 0.00 0.00 0.00 51.96 54.12 3m52 s ALA 68 Cb -0.83 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 18.71 3m52 s ALA 68 CO 0.43 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.85 3m52 n GLY 69 N 2.88 2.01 0.23 0.00 0.00 -1.26 -4.32 105.19 104.73 3m52 n GLY 69 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.20 3m52 n GLY 69 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3m52 h LEU 70 N 0.00 0.00 0.00 0.99 5.85 -1.84 -2.05 115.31 118.26 3m52 h LEU 70 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3m52 h LEU 70 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3m52 h LEU 70 CO 0.00 0.23 0.00 0.61 -0.34 0.00 0.00 178.44 178.94 3m52 n GLY 71 N -0.57 -0.42 0.03 3.75 0.00 -1.26 -2.03 105.19 104.68 3m52 n GLY 71 Ca -0.02 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 45.99 3m52 n GLY 71 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3m52 n GLN 72 N -0.71 0.88 -0.05 1.61 -0.06 -0.77 -4.78 117.38 113.51 3m52 n GLN 72 Ca 0.04 -0.10 -0.12 0.00 -2.00 0.00 0.00 57.00 54.82 3m52 n GLN 72 Cb 0.02 -1.37 -0.11 0.00 -4.06 0.00 0.00 30.24 24.72 3m52 n GLN 72 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3m52 h VAL 73 N 0.00 1.48 0.04 1.69 2.07 -1.55 -3.15 116.25 116.83 3m52 h VAL 73 Ca -0.14 -1.89 0.01 0.00 0.82 0.00 0.00 66.70 65.50 3m52 h VAL 73 Cb 1.12 2.69 -0.02 0.00 -1.52 0.00 0.00 31.29 33.56 3m52 h VAL 73 CO 0.01 0.46 -0.12 0.25 0.02 0.00 0.00 177.57 178.19 3m52 h LEU 74 N -0.89 -0.35 -0.93 2.57 5.85 -1.87 -1.66 115.31 118.03 3m52 h LEU 74 Ca -0.00 0.05 0.13 0.00 0.84 0.00 0.00 57.88 58.90 3m52 h LEU 74 Cb 0.78 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.86 3m52 h LEU 74 CO 0.00 -0.18 0.55 -0.33 -0.34 0.00 0.00 178.44 178.14 3m52 h GLU 75 N -0.23 0.80 -0.32 1.25 4.39 -1.88 -2.56 114.58 116.03 3m52 h GLU 75 Ca 0.03 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 3m52 h GLU 75 Cb 0.26 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 3m52 h GLU 75 CO -0.09 0.53 0.11 0.35 -1.16 0.00 0.00 179.01 178.74 3m52 h PHE 76 N 0.82 0.51 -0.98 4.33 3.04 -1.33 -2.13 116.94 121.21 3m52 h PHE 76 Ca 0.48 -0.05 0.15 0.00 3.98 0.00 0.00 57.97 62.54 3m52 h PHE 76 Cb 0.57 -0.15 -0.09 0.00 2.56 0.00 0.00 35.95 38.85 3m52 h PHE 76 CO -0.04 0.51 0.62 0.52 -2.02 0.00 0.00 178.31 177.90 3m52 h MET 77 N 0.37 0.81 0.00 1.11 2.86 -0.90 0.62 114.93 119.80 3m52 h MET 77 Ca 0.10 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.60 3m52 h MET 77 Cb 0.23 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 3m52 h MET 77 CO -0.00 0.54 -1.16 1.88 1.06 0.00 0.00 176.91 179.23 3m52 h TYR 78 N 0.84 0.00 0.00 -0.22 -1.99 -1.45 -3.42 116.97 110.73 3m52 h TYR 78 Ca 0.52 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.25 3m52 h TYR 78 Cb 0.70 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.43 3m52 h TYR 78 CO -0.00 0.33 -0.45 0.25 -0.00 0.00 0.00 178.16 178.29 3m52 n THR 79 N -2.83 0.00 -0.84 -2.88 -2.24 -0.81 -4.68 114.28 100.00 3m52 n THR 79 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3m52 n THR 79 Cb 0.71 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 3m52 n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3m52 n ALA 80 N -0.68 0.00 -1.77 6.98 0.00 0.21 -5.01 120.51 120.25 3m52 n ALA 80 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 3m52 n ALA 80 Cb 0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 3m52 n ALA 80 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3m52 s LYS 81 N -0.58 4.40 -0.22 0.00 -0.14 -1.26 -4.92 119.74 117.01 3m52 s LYS 81 Ca 0.00 2.08 -0.12 0.00 -1.36 0.00 0.00 55.97 56.57 3m52 s LYS 81 Cb 0.00 -3.06 0.07 0.00 -1.68 0.00 0.00 37.83 33.16 3m52 s LYS 81 CO 0.00 -0.10 0.54 -1.17 -0.76 0.00 0.00 175.35 173.86 3m52 s LEU 82 N -1.77 -0.52 -0.90 3.17 2.96 -1.26 -3.43 118.68 116.93 3m52 s LEU 82 Ca 0.49 1.19 -0.01 0.00 -0.22 0.00 0.00 54.13 55.57 3m52 s LEU 82 Cb -0.37 1.83 0.24 0.00 0.50 0.00 0.00 46.19 48.40 3m52 s LEU 82 CO 0.49 -0.22 0.90 -1.20 -1.32 0.00 0.00 176.35 175.01 3m52 n SER 83 N 4.35 4.55 -4.84 3.68 7.64 -1.26 -5.06 113.62 122.68 3m52 n SER 83 Ca -0.21 -3.22 -0.33 0.00 1.01 0.00 0.00 58.87 56.12 3m52 n SER 83 Cb 0.57 -1.04 -0.06 0.00 -1.01 0.00 0.00 64.21 62.66 3m52 n SER 83 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3m52 s LEU 84 N -1.76 4.01 -0.05 -3.43 1.43 -1.26 -4.99 118.68 112.63 3m52 s LEU 84 Ca 0.30 1.45 -0.25 0.00 -1.03 0.00 0.00 54.13 54.60 3m52 s LEU 84 Cb -0.02 -4.27 0.05 0.00 0.03 0.00 0.00 46.19 41.99 3m52 s LEU 84 CO -0.07 -0.27 0.55 -0.94 0.23 0.00 0.00 176.35 175.85 3m52 s SER 85 N -2.23 -0.50 0.30 2.29 1.04 -1.26 -5.01 113.70 108.34 3m52 s SER 85 Ca 0.57 0.53 0.12 0.00 0.48 0.00 0.00 55.95 57.65 3m52 s SER 85 Cb -0.10 0.50 0.98 0.00 0.10 0.00 0.00 66.02 67.51 3m52 s SER 85 CO 0.16 -0.53 1.39 -2.65 0.98 0.00 0.00 173.24 172.58 3m52 n PRO 86 N 1.15 -0.06 0.20 4.02 -0.01 -1.26 -0.11 135.00 138.92 3m52 n PRO 86 Ca -0.20 1.26 0.05 0.00 -0.01 0.00 0.00 63.50 64.60 3m52 n PRO 86 Cb 0.57 -2.15 0.40 0.00 -0.01 0.00 0.00 33.50 32.31 3m52 n PRO 86 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 175.50 176.42 3m52 h GLU 87 N 0.00 0.00 -0.00 -0.52 3.07 -2.01 -3.34 114.58 111.78 3m52 h GLU 87 Ca 0.66 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.52 3m52 h GLU 87 Cb 1.62 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.53 3m52 h GLU 87 CO -0.74 0.34 -0.04 0.27 -1.40 0.00 0.00 179.01 177.45 3m52 n ASN 88 N -3.84 0.63 -0.29 1.42 6.94 0.84 -4.78 115.26 116.19 3m52 n ASN 88 Ca -0.01 -0.82 0.05 0.00 -0.02 0.00 0.00 54.58 53.78 3m52 n ASN 88 Cb 0.42 0.49 0.20 0.00 -2.36 0.00 0.00 39.78 38.52 3m52 n ASN 88 CO 0.00 0.00 0.00 0.58 -1.03 0.00 0.00 177.26 176.81 3m52 h VAL 89 N 0.19 0.79 -0.03 3.53 2.07 -1.37 -2.39 116.25 119.05 3m52 h VAL 89 Ca 0.00 -0.23 -0.19 0.00 0.82 0.00 0.00 66.70 67.11 3m52 h VAL 89 Cb 0.06 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 3m52 h VAL 89 CO 0.00 0.12 -0.79 0.44 0.02 0.00 0.00 177.57 177.36 3m52 h ASP 90 N 0.66 0.31 -0.38 0.57 3.32 -1.86 0.17 116.42 119.21 3m52 h ASP 90 Ca 0.43 -0.23 -0.15 0.00 0.02 0.00 0.00 57.03 57.09 3m52 h ASP 90 Cb 0.54 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3m52 h ASP 90 CO -0.32 0.99 -0.37 0.44 -1.72 0.00 0.00 179.24 178.26 3m52 h ASP 91 N 0.16 0.98 0.04 6.45 3.32 -1.80 0.70 116.42 126.27 3m52 h ASP 91 Ca -0.04 -0.46 -0.00 0.00 0.02 0.00 0.00 57.03 56.55 3m52 h ASP 91 Cb 1.38 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.66 3m52 h ASP 91 CO 0.13 1.24 -0.02 0.58 -1.72 0.00 0.00 179.24 179.45 3m52 h VAL 92 N 0.74 1.14 -0.09 -1.35 2.07 -1.26 -2.21 116.25 115.29 3m52 h VAL 92 Ca 0.06 -0.58 0.04 0.00 0.82 0.00 0.00 66.70 67.04 3m52 h VAL 92 Cb 0.96 1.52 -0.05 0.00 -1.52 0.00 0.00 31.29 32.20 3m52 h VAL 92 CO 0.09 0.15 -0.21 0.25 0.02 0.00 0.00 177.57 177.87 3m52 h LEU 93 N -0.31 -0.64 -0.34 2.57 6.46 -0.63 0.51 115.31 122.93 3m52 h LEU 93 Ca -0.01 0.10 0.06 0.00 -0.12 0.00 0.00 57.88 57.92 3m52 h LEU 93 Cb 0.28 0.28 -0.06 0.00 -0.73 0.00 0.00 40.66 40.44 3m52 h LEU 93 CO 0.01 -0.26 -0.02 0.00 -0.62 0.00 0.00 178.44 177.55 3m52 h ALA 94 N 0.67 0.29 -0.12 1.25 0.00 -0.81 0.12 119.26 120.67 3m52 h ALA 94 Ca 0.09 0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 3m52 h ALA 94 Cb 0.41 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3m52 h ALA 94 CO -0.26 -0.41 -0.62 -0.24 0.00 0.00 0.00 179.25 177.72 3m52 h VAL 95 N 0.07 1.36 -0.40 0.00 3.04 -1.18 -2.66 116.25 116.48 3m52 h VAL 95 Ca 0.17 -1.95 -0.05 0.00 -1.01 0.00 0.00 66.70 63.86 3m52 h VAL 95 Cb 0.24 1.94 -0.02 0.00 -2.01 0.00 0.00 31.29 31.44 3m52 h VAL 95 CO -0.30 0.59 0.06 0.00 -1.01 0.00 0.00 177.57 176.92 3m52 h ALA 96 N 1.02 1.35 0.46 3.17 0.00 0.97 -1.11 119.26 125.12 3m52 h ALA 96 Ca -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3m52 h ALA 96 Cb 1.16 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3m52 h ALA 96 CO 0.11 0.45 -0.22 1.15 0.00 0.00 0.00 179.25 180.74 3m52 h THR 97 N 0.59 0.49 -0.86 0.00 2.02 -0.71 0.24 112.91 114.69 3m52 h THR 97 Ca 0.13 -0.35 0.20 0.00 0.77 0.00 0.00 66.41 67.16 3m52 h THR 97 Cb 0.28 0.64 -0.12 0.00 -1.74 0.00 0.00 68.15 67.22 3m52 h THR 97 CO 0.00 0.06 0.35 0.15 0.37 0.00 0.00 175.52 176.45 3m52 h PHE 98 N -0.84 0.58 0.00 3.16 3.04 -1.27 0.11 116.94 121.71 3m52 h PHE 98 Ca -0.06 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.93 3m52 h PHE 98 Cb 0.57 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 38.96 3m52 h PHE 98 CO 0.00 -0.03 0.00 1.28 -2.02 0.00 0.00 178.31 177.54 3m52 n LEU 99 N -5.05 0.00 -3.23 0.59 4.77 -0.44 -4.74 117.00 108.90 3m52 n LEU 99 Ca 0.20 0.26 -0.19 0.00 -0.03 0.00 0.00 56.01 56.25 3m52 n LEU 99 Cb 0.59 -0.26 0.08 0.00 -2.33 0.00 0.00 43.42 41.49 3m52 n LEU 99 CO 0.14 -0.01 0.17 0.00 -1.33 0.00 0.00 177.39 176.36 3m52 n GLN 100 N -1.26 -6.66 -3.54 3.23 1.13 0.38 -3.39 117.38 107.27 3m52 n GLN 100 Ca 0.15 0.75 -0.41 0.00 -1.94 0.00 0.00 57.00 55.54 3m52 n GLN 100 Cb 0.22 -5.52 -0.07 0.00 0.11 0.00 0.00 30.24 24.98 3m52 n GLN 100 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 3m52 s MET 101 N -5.79 2.87 0.30 -1.09 -1.94 -0.01 -4.51 119.30 109.13 3m52 s MET 101 Ca 0.32 -2.27 0.00 0.00 -1.71 0.00 0.00 55.69 52.03 3m52 s MET 101 Cb -0.14 -4.02 0.52 0.00 2.01 0.00 0.00 34.83 33.20 3m52 s MET 101 CO 0.65 -1.22 1.92 1.96 -0.01 0.00 0.00 175.02 178.32 3m52 h GLN 102 N 7.73 1.01 -0.64 2.03 1.08 -1.89 -2.14 115.11 122.29 3m52 h GLN 102 Ca -0.04 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 3m52 h GLN 102 Cb 1.02 -0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 28.19 3m52 h GLN 102 CO 0.78 0.67 0.41 0.38 -0.95 0.00 0.00 178.83 180.12 3m52 h ASP 103 N 1.04 0.75 0.28 1.46 3.04 -1.95 -1.00 116.42 120.04 3m52 h ASP 103 Ca 0.38 -0.03 -0.21 0.00 -3.24 0.00 0.00 57.03 53.93 3m52 h ASP 103 Cb 0.16 -0.19 -0.00 0.00 -1.04 0.00 0.00 39.33 38.26 3m52 h ASP 103 CO -0.14 0.56 -0.83 0.40 -2.04 0.00 0.00 179.24 177.19 3m52 h ILE 104 N 0.87 1.39 -0.57 4.15 2.04 -1.88 -2.45 117.51 121.06 3m52 h ILE 104 Ca 0.23 -2.28 0.01 0.00 1.00 0.00 0.00 64.86 63.82 3m52 h ILE 104 Cb -0.07 2.25 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 3m52 h ILE 104 CO -0.05 0.69 0.37 0.40 0.00 0.00 0.00 178.15 179.55 3m52 h ILE 105 N 0.27 1.12 -0.66 -0.67 2.04 -1.15 -1.23 117.51 117.22 3m52 h ILE 105 Ca -0.05 -0.25 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 3m52 h ILE 105 Cb 1.44 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 3m52 h ILE 105 CO 0.14 0.13 0.19 0.74 0.00 0.00 0.00 178.15 179.36 3m52 h THR 106 N 0.74 1.25 -0.12 -0.27 2.02 -1.12 -1.46 112.91 113.96 3m52 h THR 106 Ca 0.21 -0.89 0.01 0.00 0.77 0.00 0.00 66.41 66.51 3m52 h THR 106 Cb -0.05 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3m52 h THR 106 CO -0.06 0.34 0.05 0.00 0.37 0.00 0.00 175.52 176.22 3m52 h ALA 107 N 1.08 0.13 -0.21 6.16 0.00 -1.09 -1.96 119.26 123.37 3m52 h ALA 107 Ca 0.21 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.17 3m52 h ALA 107 Cb 0.32 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3m52 h ALA 107 CO -0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 179.25 178.82 3m52 h HIS 109 N 0.04 0.79 -0.34 0.00 3.86 -1.14 -1.17 115.15 117.20 3m52 h HIS 109 Ca 0.10 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.21 3m52 h HIS 109 Cb 0.14 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 3m52 h HIS 109 CO -0.20 0.41 -0.25 0.00 0.86 0.00 0.00 177.93 178.75 3m52 h ALA 110 N 1.60 0.48 -0.44 2.45 0.00 -0.87 -2.00 119.26 120.48 3m52 h ALA 110 Ca 0.33 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3m52 h ALA 110 Cb 0.29 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3m52 h ALA 110 CO -0.11 0.47 -0.17 1.25 0.00 0.00 0.00 179.25 180.69 3m52 h LEU 111 N 0.54 0.85 -1.81 0.00 5.85 -1.09 -2.89 115.31 116.77 3m52 h LEU 111 Ca 0.06 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 3m52 h LEU 111 Cb 0.82 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 3m52 h LEU 111 CO 0.07 1.01 -0.12 0.11 -0.34 0.00 0.00 178.44 179.17 3m52 h LYS 112 N 0.75 0.00 0.00 1.25 1.57 -1.14 -2.83 116.57 116.17 3m52 h LYS 112 Ca 0.11 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 3m52 h LYS 112 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 3m52 h LYS 112 CO 0.05 0.12 -0.23 0.77 -0.57 0.00 0.00 179.45 179.60 3m52 h SER 113 N 0.00 0.00 -1.78 0.86 0.02 -1.14 -3.39 113.55 108.12 3m52 h SER 113 Ca -0.00 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.48 3m52 h SER 113 Cb 0.40 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 3m52 h SER 113 CO 0.02 0.23 1.42 -0.76 -1.14 0.00 0.00 176.83 176.60 3m52 s LEU 114 N -7.36 3.32 0.00 5.07 1.02 -1.07 -5.12 118.68 114.54 3m52 s LEU 114 Ca -0.02 0.59 0.00 0.00 0.02 0.00 0.00 54.13 54.72 3m52 s LEU 114 Cb 0.13 -2.52 0.00 0.00 0.02 0.00 0.00 46.19 43.82 3m52 s LEU 114 CO 0.64 -2.61 0.00 0.00 0.02 0.00 0.00 176.35 174.40