#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibf s ASP 2 N 0.00 1.66 -0.10 1.08 2.15 -1.26 -4.58 116.67 115.62 1ibf s ASP 2 Ca 0.00 -0.29 0.03 0.00 0.43 0.00 0.00 52.55 52.72 1ibf s ASP 2 Cb 0.00 0.11 0.01 0.00 -0.30 0.00 0.00 42.92 42.74 1ibf s ASP 2 CO 0.00 -0.32 -0.19 -0.76 -0.17 0.00 0.00 175.17 173.72 1ibf s LEU 3 N 2.25 1.92 0.17 -1.34 1.02 -1.25 -5.03 118.68 116.41 1ibf s LEU 3 Ca 0.04 -0.48 -0.30 0.00 0.02 0.00 0.00 54.13 53.42 1ibf s LEU 3 Cb -0.15 -1.21 -0.07 0.00 0.02 0.00 0.00 46.19 44.77 1ibf s LEU 3 CO -0.10 0.09 1.05 -0.89 0.02 0.00 0.00 176.35 176.53 1ibf s THR 4 N 0.59 4.02 -0.24 5.49 2.01 -1.26 -3.49 115.64 122.75 1ibf s THR 4 Ca -0.14 1.76 -0.02 0.00 0.31 0.00 0.00 61.69 63.60 1ibf s THR 4 Cb -0.17 -4.12 0.02 0.00 0.01 0.00 0.00 72.50 68.24 1ibf s THR 4 CO 0.05 0.31 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.53 1ibf s VAL 5 N -0.30 2.88 0.17 3.82 1.01 0.17 -4.95 120.40 123.20 1ibf s VAL 5 Ca 0.48 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 1ibf s VAL 5 Cb -0.28 -2.44 -0.08 0.00 0.00 0.00 0.00 36.38 33.58 1ibf s VAL 5 CO 0.34 0.23 1.17 -0.54 0.00 0.00 0.00 175.10 176.29 1ibf s LYS 6 N 1.34 4.52 -0.03 2.72 -0.14 -1.26 -0.77 119.74 126.11 1ibf s LYS 6 Ca 0.01 1.81 0.04 0.00 -1.36 0.00 0.00 55.97 56.48 1ibf s LYS 6 Cb -0.16 -3.26 -0.03 0.00 -1.68 0.00 0.00 37.83 32.70 1ibf s LYS 6 CO -0.05 -0.05 -0.15 -1.64 -0.76 0.00 0.00 175.35 172.70 1ibf s MET 7 N -0.17 2.42 -0.02 1.68 -1.94 -0.78 -4.30 119.30 116.18 1ibf s MET 7 Ca 0.52 -0.75 0.06 0.00 -1.71 0.00 0.00 55.69 53.81 1ibf s MET 7 Cb -0.31 -2.33 -0.01 0.00 2.01 0.00 0.00 34.83 34.18 1ibf s MET 7 CO 0.35 0.61 -0.21 0.99 -0.01 0.00 0.00 175.02 176.75 1ibf s THR 8 N -0.76 1.70 -0.04 2.05 2.01 0.14 -2.14 115.64 118.59 1ibf s THR 8 Ca 0.12 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 60.91 1ibf s THR 8 Cb -0.11 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 1ibf s THR 8 CO 0.01 0.48 1.30 -0.62 -0.69 0.00 0.00 174.62 175.10 1ibf s ASP 9 N -0.40 6.95 0.26 3.53 -1.08 -0.45 -0.83 116.67 124.65 1ibf s ASP 9 Ca 0.06 1.94 0.04 0.00 -0.52 0.00 0.00 52.55 54.07 1ibf s ASP 9 Cb -0.09 -2.56 0.35 0.00 -1.46 0.00 0.00 42.92 39.16 1ibf s ASP 9 CO -0.00 -0.66 1.64 -0.07 0.52 0.00 0.00 175.17 176.60 1ibf h LEU 10 N 8.41 0.34 -0.10 -1.34 3.38 -1.45 0.20 115.31 124.75 1ibf h LEU 10 Ca -0.35 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 57.32 1ibf h LEU 10 Cb 1.16 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.83 1ibf h LEU 10 CO 0.90 0.75 -0.49 -0.61 0.09 0.00 0.00 178.44 179.07 1ibf h GLN 11 N 0.26 0.50 0.00 1.13 5.75 -1.89 -3.36 115.11 117.51 1ibf h GLN 11 Ca 0.02 -0.41 0.00 0.00 -0.15 0.00 0.00 58.65 58.10 1ibf h GLN 11 Cb 0.91 0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.54 1ibf h GLN 11 CO 0.07 1.04 -1.57 0.25 -2.65 0.00 0.00 178.83 175.98 1ibf n THR 12 N -4.25 0.18 -0.92 2.39 -2.24 -1.24 -4.96 114.28 103.26 1ibf n THR 12 Ca -0.08 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1ibf n THR 12 Cb 0.60 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1ibf n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ibf n GLY 13 N 1.26 0.53 3.83 3.38 0.00 0.70 -4.99 105.19 109.90 1ibf n GLY 13 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1ibf n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ibf s LYS 14 N -0.45 3.89 0.39 1.61 1.02 -1.24 -4.77 119.74 120.19 1ibf s LYS 14 Ca 0.00 0.28 -0.27 0.00 0.02 0.00 0.00 55.97 55.99 1ibf s LYS 14 Cb 0.00 -3.25 -0.10 0.00 -0.52 0.00 0.00 37.83 33.96 1ibf s LYS 14 CO 0.00 0.63 1.48 -2.14 -0.92 0.00 0.00 175.35 174.40 1ibf s PRO 15 N -0.81 4.00 0.00 -1.68 0.02 -1.26 -1.34 135.00 133.94 1ibf s PRO 15 Ca 0.21 2.55 0.01 0.00 0.02 0.00 0.00 61.00 63.80 1ibf s PRO 15 Cb -0.15 -2.89 0.02 0.00 0.02 0.00 0.00 34.50 31.49 1ibf s PRO 15 CO 0.10 -0.61 0.87 1.33 -0.33 0.00 0.00 177.00 178.37 1ibf n VAL 16 N 0.30 0.70 0.00 3.83 0.24 -0.91 -4.84 118.33 117.65 1ibf n VAL 16 Ca 0.02 -0.85 0.00 0.00 -2.04 0.00 0.00 64.34 61.47 1ibf n VAL 16 Cb 0.40 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 1ibf n VAL 16 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ibf n GLY 17 N -0.27 0.71 3.21 7.63 0.00 -1.25 -0.28 105.19 114.94 1ibf n GLY 17 Ca 0.01 -2.03 -0.12 0.00 0.00 0.00 0.00 46.02 43.88 1ibf n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ibf s THR 18 N -1.61 0.22 -0.05 2.61 -4.23 -0.89 -1.87 115.64 109.82 1ibf s THR 18 Ca 0.00 -1.97 -0.01 0.00 -1.18 0.00 0.00 61.69 58.53 1ibf s THR 18 Cb 0.00 -2.35 0.03 0.00 1.34 0.00 0.00 72.50 71.52 1ibf s THR 18 CO 0.00 -0.19 0.02 -0.63 -0.54 0.00 0.00 174.62 173.28 1ibf s ILE 19 N -3.99 0.16 -0.17 2.99 1.01 0.05 -0.92 121.20 120.33 1ibf s ILE 19 Ca 0.33 0.21 -0.16 0.00 0.00 0.00 0.00 60.65 61.03 1ibf s ILE 19 Cb 0.07 -0.34 -0.04 0.00 0.01 0.00 0.00 42.46 42.17 1ibf s ILE 19 CO 0.08 0.20 0.41 -0.70 0.00 0.00 0.00 174.94 174.94 1ibf s GLU 20 N 1.78 4.23 -0.18 2.79 2.12 -0.16 -0.65 118.70 128.63 1ibf s GLU 20 Ca 0.01 0.27 -0.07 0.00 0.36 0.00 0.00 54.97 55.54 1ibf s GLU 20 Cb -0.13 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 1ibf s GLU 20 CO -0.04 0.05 0.05 -0.51 -0.54 0.00 0.00 175.26 174.27 1ibf s LEU 21 N 1.03 3.70 -0.02 2.70 1.02 -1.23 -1.00 118.68 124.88 1ibf s LEU 21 Ca 0.21 0.03 0.02 0.00 0.02 0.00 0.00 54.13 54.41 1ibf s LEU 21 Cb -0.15 -1.93 0.00 0.00 0.02 0.00 0.00 46.19 44.14 1ibf s LEU 21 CO 0.08 0.16 -0.08 -0.44 0.02 0.00 0.00 176.35 176.09 1ibf s SER 22 N 0.44 1.05 0.04 2.29 0.01 -0.40 -3.96 113.70 113.17 1ibf s SER 22 Ca 0.02 -0.16 -0.23 0.00 1.31 0.00 0.00 55.95 56.90 1ibf s SER 22 Cb -0.13 -0.28 -0.06 0.00 0.21 0.00 0.00 66.02 65.76 1ibf s SER 22 CO 0.01 0.05 0.67 -1.58 0.41 0.00 0.00 173.24 172.80 1ibf s GLN 23 N 0.22 4.40 0.24 12.44 2.00 -1.26 0.73 119.66 138.42 1ibf s GLN 23 Ca -0.03 0.90 0.01 0.00 -2.00 0.00 0.00 55.36 54.24 1ibf s GLN 23 Cb -0.08 -3.33 -0.04 0.00 0.80 0.00 0.00 33.01 30.36 1ibf s GLN 23 CO 0.00 0.40 0.15 0.54 -0.50 0.00 0.00 175.29 175.88 1ibf s ASN 24 N -0.37 0.72 0.00 6.67 2.20 -0.08 -4.93 114.94 119.14 1ibf s ASN 24 Ca 0.34 -1.46 0.01 0.00 -0.94 0.00 0.00 52.86 50.81 1ibf s ASN 24 Cb -0.20 0.37 0.08 0.00 -2.00 0.00 0.00 41.25 39.50 1ibf s ASN 24 CO 0.21 -0.86 0.57 2.29 -2.94 0.00 0.00 177.10 176.36 1ibf n LYS 25 N -0.39 0.50 0.00 3.55 2.85 -1.26 -2.37 118.16 121.04 1ibf n LYS 25 Ca 0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 1ibf n LYS 25 Cb 0.65 -1.04 0.00 0.00 -0.65 0.00 0.00 35.03 33.99 1ibf n LYS 25 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1ibf n TYR 26 N -0.54 0.00 -0.81 5.58 4.02 -1.26 -5.13 117.16 119.02 1ibf n TYR 26 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1ibf n TYR 26 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1ibf n TYR 26 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ibf n GLY 27 N 0.66 0.19 3.52 2.72 0.00 -1.00 -4.07 105.19 107.21 1ibf n GLY 27 Ca 0.00 -1.33 -0.36 0.00 0.00 0.00 0.00 46.02 44.34 1ibf n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibf s VAL 28 N -3.58 4.46 -0.00 1.61 1.01 -0.17 -0.90 120.40 122.82 1ibf s VAL 28 Ca 0.00 -0.14 -0.18 0.00 0.00 0.00 0.00 61.98 61.67 1ibf s VAL 28 Cb 0.00 -3.04 -0.06 0.00 0.00 0.00 0.00 36.38 33.28 1ibf s VAL 28 CO 0.00 0.40 0.50 -0.83 0.00 0.00 0.00 175.10 175.17 1ibf s GLY 29 N 1.04 2.54 -0.25 4.51 0.00 0.22 -1.36 107.32 114.03 1ibf s GLY 29 Ca 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 44.72 44.67 1ibf s GLY 29 CO 0.03 0.47 -0.09 -1.36 0.00 0.00 0.00 173.10 172.14 1ibf s PHE 30 N -0.59 3.16 -0.35 1.90 0.40 0.25 -1.28 117.98 121.47 1ibf s PHE 30 Ca 0.27 -2.00 -0.03 0.00 -0.60 0.00 0.00 56.93 54.57 1ibf s PHE 30 Cb -0.17 -1.99 0.07 0.00 0.51 0.00 0.00 43.02 41.44 1ibf s PHE 30 CO 0.15 -0.83 0.10 0.42 0.70 0.00 0.00 175.22 175.76 1ibf s ILE 31 N 1.20 3.31 0.36 0.64 1.01 -0.17 -0.24 121.20 127.31 1ibf s ILE 31 Ca -0.05 -1.52 -0.17 0.00 0.00 0.00 0.00 60.65 58.91 1ibf s ILE 31 Cb -0.18 -3.01 -0.10 0.00 0.01 0.00 0.00 42.46 39.18 1ibf s ILE 31 CO -0.05 -0.31 0.81 -2.16 0.00 0.00 0.00 174.94 173.23 1ibf s PRO 32 N 1.26 4.08 -0.41 2.79 0.04 -1.26 -0.98 135.00 140.52 1ibf s PRO 32 Ca -0.00 0.83 0.09 0.00 0.04 0.00 0.00 61.00 61.95 1ibf s PRO 32 Cb -0.21 -2.34 0.28 0.00 0.04 0.00 0.00 34.50 32.27 1ibf s PRO 32 CO -0.01 0.09 0.69 -1.91 0.04 0.00 0.00 177.00 175.90 1ibf n GLU 33 N -0.46 0.82 -4.26 4.56 4.07 -0.09 -4.19 120.64 121.09 1ibf n GLU 33 Ca 0.05 -2.92 -0.24 0.00 -0.06 0.00 0.00 57.16 53.98 1ibf n GLU 33 Cb 0.53 -1.37 -0.08 0.00 -0.06 0.00 0.00 31.44 30.46 1ibf n GLU 33 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1ibf s LEU 34 N -1.54 3.07 0.30 4.31 1.43 -1.05 -2.09 118.68 123.10 1ibf s LEU 34 Ca 0.35 -0.94 -0.05 0.00 -1.03 0.00 0.00 54.13 52.46 1ibf s LEU 34 Cb 0.24 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.99 1ibf s LEU 34 CO -0.12 -0.28 0.42 0.00 0.23 0.00 0.00 176.35 176.61 1ibf s ALA 35 N -2.50 0.60 -1.38 4.21 0.00 0.62 -2.52 121.76 120.79 1ibf s ALA 35 Ca 0.36 -1.40 -0.09 0.00 0.00 0.00 0.00 51.96 50.83 1ibf s ALA 35 Cb -0.00 1.17 0.02 0.00 0.00 0.00 0.00 23.12 24.31 1ibf s ALA 35 CO 0.20 -0.78 1.15 -0.25 0.00 0.00 0.00 175.76 176.09 1ibf n ASP 36 N -1.01 -5.99 -4.42 0.00 8.00 -0.99 -4.78 116.55 107.36 1ibf n ASP 36 Ca 0.01 -0.58 -0.28 0.00 0.71 0.00 0.00 54.79 54.65 1ibf n ASP 36 Cb 0.62 -4.88 -0.12 0.00 -0.02 0.00 0.00 41.12 36.72 1ibf n ASP 36 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ibf s LEU 37 N -7.27 2.44 0.08 0.64 1.43 -0.97 -5.09 118.68 109.94 1ibf s LEU 37 Ca 0.57 -0.77 -0.31 0.00 -1.03 0.00 0.00 54.13 52.60 1ibf s LEU 37 Cb -0.26 -1.26 -0.06 0.00 0.03 0.00 0.00 46.19 44.64 1ibf s LEU 37 CO 0.74 0.15 1.26 0.42 0.23 0.00 0.00 176.35 179.15 1ibf s THR 38 N -1.35 3.82 0.54 5.49 -4.23 -1.26 -4.14 115.64 114.52 1ibf s THR 38 Ca 0.18 1.30 -0.20 0.00 -1.18 0.00 0.00 61.69 61.80 1ibf s THR 38 Cb -0.09 -3.84 -0.08 0.00 1.34 0.00 0.00 72.50 69.83 1ibf s THR 38 CO 0.08 0.10 0.79 -2.65 -0.54 0.00 0.00 174.62 172.40 1ibf n PRO 39 N 3.95 0.82 0.00 3.99 -0.02 -1.26 -4.74 135.00 137.75 1ibf n PRO 39 Ca 0.10 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1ibf n PRO 39 Cb 0.45 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1ibf n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ibf n GLY 40 N 1.48 0.18 3.80 -1.23 0.00 0.45 -4.92 105.19 104.96 1ibf n GLY 40 Ca 0.12 -2.30 -0.38 0.00 0.00 0.00 0.00 46.02 43.46 1ibf n GLY 40 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ibf s MET 41 N -0.17 4.06 0.03 1.61 -1.94 -1.26 -0.68 119.30 120.94 1ibf s MET 41 Ca 0.00 0.46 0.08 0.00 -1.71 0.00 0.00 55.69 54.52 1ibf s MET 41 Cb 0.00 -3.27 -0.02 0.00 2.01 0.00 0.00 34.83 33.54 1ibf s MET 41 CO 0.00 0.56 -0.23 -1.01 -0.01 0.00 0.00 175.02 174.33 1ibf s HIS 42 N -0.68 1.99 0.26 -0.03 3.76 0.48 -3.70 115.29 117.37 1ibf s HIS 42 Ca 0.25 -0.38 -0.30 0.00 -0.15 0.00 0.00 55.06 54.47 1ibf s HIS 42 Cb -0.17 -1.21 -0.11 0.00 1.11 0.00 0.00 32.58 32.20 1ibf s HIS 42 CO 0.13 0.07 1.56 0.20 -0.85 0.00 0.00 174.74 175.85 1ibf s GLY 43 N -1.01 2.06 -0.19 -2.22 0.00 0.87 -1.25 107.32 105.57 1ibf s GLY 43 Ca 0.09 1.49 -0.03 0.00 0.00 0.00 0.00 44.72 46.27 1ibf s GLY 43 CO 0.01 2.51 0.05 -0.12 0.00 0.00 0.00 173.10 175.55 1ibf s PHE 44 N 0.17 0.83 0.06 1.90 5.36 -1.26 -0.42 117.98 124.63 1ibf s PHE 44 Ca 0.64 -0.75 -0.04 0.00 -0.96 0.00 0.00 56.93 55.81 1ibf s PHE 44 Cb -0.46 -0.96 -0.02 0.00 -0.34 0.00 0.00 43.02 41.24 1ibf s PHE 44 CO 0.44 -0.60 0.06 -1.01 -1.46 0.00 0.00 175.22 172.65 1ibf s HIS 45 N 1.92 0.35 0.04 10.12 3.76 -1.07 -2.41 115.29 128.00 1ibf s HIS 45 Ca 0.00 -0.81 -0.18 0.00 -0.15 0.00 0.00 55.06 53.93 1ibf s HIS 45 Cb -0.17 -0.24 -0.06 0.00 1.11 0.00 0.00 32.58 33.22 1ibf s HIS 45 CO -0.09 -0.42 0.51 0.42 -0.85 0.00 0.00 174.74 174.30 1ibf s ILE 46 N -3.62 4.85 0.28 0.60 -1.09 0.24 -1.60 121.20 120.85 1ibf s ILE 46 Ca 0.04 1.07 0.09 0.00 -2.23 0.00 0.00 60.65 59.61 1ibf s ILE 46 Cb 0.05 -3.83 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 1ibf s ILE 46 CO -0.09 0.56 0.08 -1.00 -1.23 0.00 0.00 174.94 173.27 1ibf s HIS 47 N -1.08 2.82 0.06 3.97 3.76 0.16 -0.43 115.29 124.54 1ibf s HIS 47 Ca 0.27 -0.22 -0.30 0.00 -0.15 0.00 0.00 55.06 54.66 1ibf s HIS 47 Cb -0.18 -1.35 -0.15 0.00 1.11 0.00 0.00 32.58 32.01 1ibf s HIS 47 CO 0.17 0.53 1.46 0.37 -0.85 0.00 0.00 174.74 176.42 1ibf h GLN 48 N 1.70 -0.88 -6.70 1.40 5.75 -0.94 -3.19 115.11 112.26 1ibf h GLN 48 Ca -0.45 0.06 -0.50 0.00 -0.15 0.00 0.00 58.65 57.61 1ibf h GLN 48 Cb 1.25 0.20 -0.03 0.00 1.07 0.00 0.00 27.48 29.97 1ibf h GLN 48 CO 0.61 -0.58 0.19 -0.80 -2.65 0.00 0.00 178.83 175.59 1ibf s ASN 49 N -3.86 7.12 -0.98 -0.69 0.01 0.21 -4.67 114.94 112.07 1ibf s ASN 49 Ca -0.15 1.55 -0.08 0.00 -0.71 0.00 0.00 52.86 53.47 1ibf s ASN 49 Cb 0.03 -2.47 -0.12 0.00 0.41 0.00 0.00 41.25 39.10 1ibf s ASN 49 CO 0.49 -0.03 3.13 0.61 -1.51 0.00 0.00 177.10 179.79 1ibf n GLY 50 N 0.53 3.92 3.37 0.66 0.00 -0.95 -3.08 105.19 109.64 1ibf n GLY 50 Ca -0.00 -1.47 -0.15 0.00 0.00 0.00 0.00 46.02 44.40 1ibf n GLY 50 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ibf s SER 51 N 1.84 -0.40 0.00 1.61 0.15 -1.26 -4.94 113.70 110.70 1ibf s SER 51 Ca 0.67 0.26 0.03 0.00 0.70 0.00 0.00 55.95 57.61 1ibf s SER 51 Cb 0.24 0.44 0.07 0.00 -1.71 0.00 0.00 66.02 65.06 1ibf s SER 51 CO -0.05 -0.61 0.91 0.00 1.20 0.00 0.00 173.24 174.69 1ibf s ALA 53 N -0.74 0.71 0.87 0.00 0.00 -1.26 -3.73 121.76 117.61 1ibf s ALA 53 Ca 0.06 -0.06 -0.13 0.00 0.00 0.00 0.00 51.96 51.83 1ibf s ALA 53 Cb 0.03 -3.23 0.13 0.00 0.00 0.00 0.00 23.12 20.05 1ibf s ALA 53 CO 0.04 -3.03 1.23 -1.12 0.00 0.00 0.00 175.76 172.88 1ibf s SER 54 N -3.02 3.91 0.11 0.00 0.01 -1.26 -0.98 113.70 112.48 1ibf s SER 54 Ca 0.66 0.51 0.02 0.00 1.31 0.00 0.00 55.95 58.45 1ibf s SER 54 Cb -0.21 -0.81 -0.01 0.00 0.21 0.00 0.00 66.02 65.20 1ibf s SER 54 CO 0.60 -2.25 0.09 -1.54 0.41 0.00 0.00 173.24 170.55 1ibf n SER 55 N -3.48 -0.11 -3.97 2.44 3.41 -0.67 -3.65 113.62 107.60 1ibf n SER 55 Ca 0.11 -1.72 -0.23 0.00 -0.26 0.00 0.00 58.87 56.78 1ibf n SER 55 Cb 0.60 0.53 -0.16 0.00 -0.26 0.00 0.00 64.21 64.92 1ibf n SER 55 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1ibf s GLU 56 N -2.45 1.34 -0.23 4.33 -6.30 -1.26 -1.46 118.70 112.67 1ibf s GLU 56 Ca 0.13 -0.29 0.00 0.00 -2.50 0.00 0.00 54.97 52.31 1ibf s GLU 56 Cb 0.01 -1.18 0.06 0.00 0.00 0.00 0.00 34.13 33.02 1ibf s GLU 56 CO 0.09 -0.02 -0.03 0.15 0.02 0.00 0.00 175.26 175.46 1ibf s LYS 57 N 0.78 1.45 -1.69 4.30 1.02 0.04 -4.85 119.74 120.79 1ibf s LYS 57 Ca -0.13 -0.93 -0.15 0.00 0.02 0.00 0.00 55.97 54.78 1ibf s LYS 57 Cb -0.15 -2.52 0.14 0.00 -0.52 0.00 0.00 37.83 34.78 1ibf s LYS 57 CO 0.02 -0.62 0.60 -0.25 -0.92 0.00 0.00 175.35 174.17 1ibf n ASP 58 N 4.72 -2.02 0.00 2.83 8.00 -1.26 -0.77 116.55 128.06 1ibf n ASP 58 Ca -0.11 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.29 1ibf n ASP 58 Cb 0.44 -2.38 0.00 0.00 -0.02 0.00 0.00 41.12 39.16 1ibf n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ibf n GLY 59 N -1.54 0.85 3.50 0.44 0.00 -1.26 -5.06 105.19 102.12 1ibf n GLY 59 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1ibf n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ibf s LYS 60 N -0.66 2.16 0.18 1.61 1.02 0.05 -5.11 119.74 119.00 1ibf s LYS 60 Ca 0.00 -0.95 -0.30 0.00 0.02 0.00 0.00 55.97 54.75 1ibf s LYS 60 Cb 0.00 -2.26 -0.08 0.00 -0.52 0.00 0.00 37.83 34.97 1ibf s LYS 60 CO 0.00 0.55 1.06 0.08 -0.92 0.00 0.00 175.35 176.11 1ibf s VAL 61 N -0.98 3.97 -0.37 3.17 1.01 -1.26 -0.78 120.40 125.16 1ibf s VAL 61 Ca 0.16 1.74 0.01 0.00 0.00 0.00 0.00 61.98 63.89 1ibf s VAL 61 Cb -0.11 -4.11 0.10 0.00 0.00 0.00 0.00 36.38 32.26 1ibf s VAL 61 CO 0.07 0.32 0.11 -0.69 0.00 0.00 0.00 175.10 174.91 1ibf s VAL 62 N -0.39 2.76 0.21 2.92 1.01 -0.53 -4.90 120.40 121.48 1ibf s VAL 62 Ca 0.47 -2.17 -0.32 0.00 0.00 0.00 0.00 61.98 59.97 1ibf s VAL 62 Cb -0.28 -2.94 -0.13 0.00 0.00 0.00 0.00 36.38 33.03 1ibf s VAL 62 CO 0.34 -0.61 1.63 0.18 0.00 0.00 0.00 175.10 176.64 1ibf n LEU 63 N 4.42 3.65 -0.22 3.92 4.77 -1.26 -0.74 117.00 131.55 1ibf n LEU 63 Ca 0.00 1.09 -0.03 0.00 -0.03 0.00 0.00 56.01 57.04 1ibf n LEU 63 Cb 0.42 -1.51 -0.01 0.00 -2.33 0.00 0.00 43.42 39.98 1ibf n LEU 63 CO 0.27 -0.04 -0.03 0.61 -1.33 0.00 0.00 177.39 176.87 1ibf n GLY 64 N 3.40 0.44 0.22 -0.72 0.00 -1.22 -4.49 105.19 102.82 1ibf n GLY 64 Ca 0.15 -0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.16 1ibf n GLY 64 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ibf h GLY 65 N 0.00 0.00 2.00 -0.02 0.00 -0.76 -2.72 103.07 101.57 1ibf h GLY 65 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1ibf h GLY 65 CO 0.08 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.62 1ibf h ALA 66 N 1.75 1.00 0.00 3.60 0.00 -1.13 -0.48 119.26 124.01 1ibf h ALA 66 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ibf h ALA 66 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ibf h ALA 66 CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1ibf h ALA 67 N 2.00 1.00 -0.01 0.00 0.00 -1.43 -3.43 119.26 117.39 1ibf h ALA 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ibf h ALA 67 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ibf h ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1ibf n GLY 68 N -0.51 -1.57 1.06 0.00 0.00 -0.19 0.67 105.19 104.65 1ibf n GLY 68 Ca -0.01 -1.32 -0.08 0.00 0.00 0.00 0.00 46.02 44.61 1ibf n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibf n GLY 69 N 0.00 -0.84 3.77 -0.02 0.00 -1.26 -4.68 105.19 102.15 1ibf n GLY 69 Ca 0.00 -1.74 -0.39 0.00 0.00 0.00 0.00 46.02 43.89 1ibf n GLY 69 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ibf s HIS 70 N -1.57 2.81 0.06 1.61 0.09 -1.26 -0.87 115.29 116.16 1ibf s HIS 70 Ca 0.20 1.41 -0.33 0.00 -0.00 0.00 0.00 55.06 56.34 1ibf s HIS 70 Cb -0.01 -3.66 -0.12 0.00 -0.00 0.00 0.00 32.58 28.79 1ibf s HIS 70 CO 0.14 -2.09 1.76 0.98 -0.00 0.00 0.00 174.74 175.54 1ibf n TYR 71 N 0.10 2.38 -2.99 1.40 9.36 0.43 -4.47 117.16 123.36 1ibf n TYR 71 Ca 0.04 0.05 -0.16 0.00 3.32 0.00 0.00 57.90 61.15 1ibf n TYR 71 Cb 0.44 -2.64 -0.01 0.00 -0.63 0.00 0.00 39.34 36.50 1ibf n TYR 71 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1ibf n ASP 72 N 5.24 -1.10 0.13 2.98 2.03 -1.26 -1.02 116.55 123.55 1ibf n ASP 72 Ca 0.19 -3.03 0.10 0.00 0.52 0.00 0.00 54.79 52.57 1ibf n ASP 72 Cb 0.31 0.48 0.48 0.00 -0.72 0.00 0.00 41.12 41.67 1ibf n ASP 72 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1ibf n PRO 73 N 1.30 0.13 -0.08 -0.67 -0.04 -1.26 -1.03 135.00 133.34 1ibf n PRO 73 Ca 0.16 0.55 0.11 0.00 -0.04 0.00 0.00 63.50 64.28 1ibf n PRO 73 Cb 0.59 -1.86 0.15 0.00 -0.04 0.00 0.00 33.50 32.34 1ibf n PRO 73 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ibf n GLU 74 N -2.12 2.29 -3.88 0.54 -0.58 -1.26 -4.98 120.64 110.65 1ibf n GLU 74 Ca -0.00 -2.03 -0.24 0.00 -0.42 0.00 0.00 57.16 54.47 1ibf n GLU 74 Cb 0.08 -1.46 -0.01 0.00 -0.57 0.00 0.00 31.44 29.48 1ibf n GLU 74 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1ibf n HIS 75 N 1.34 -1.72 0.11 -0.32 8.25 -0.20 -4.88 115.22 117.81 1ibf n HIS 75 Ca 0.16 0.77 -0.02 0.00 -0.26 0.00 0.00 57.72 58.37 1ibf n HIS 75 Cb 0.58 -3.93 0.04 0.00 1.12 0.00 0.00 29.99 27.79 1ibf n HIS 75 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1ibf h THR 76 N -1.84 1.38 -4.21 1.59 1.35 -1.90 -3.47 112.91 105.80 1ibf h THR 76 Ca -0.63 -2.64 -0.38 0.00 -0.55 0.00 0.00 66.41 62.22 1ibf h THR 76 Cb 1.37 2.48 0.01 0.00 -1.73 0.00 0.00 68.15 70.28 1ibf h THR 76 CO 0.61 0.72 -0.54 0.59 -0.25 0.00 0.00 175.52 176.64 1ibf n ASN 77 N -3.46 -5.38 -4.04 5.36 3.02 -1.26 -4.92 115.26 104.58 1ibf n ASN 77 Ca 0.00 -0.18 -0.09 0.00 -0.03 0.00 0.00 54.58 54.28 1ibf n ASN 77 Cb 0.77 -4.42 -0.11 0.00 -0.61 0.00 0.00 39.78 35.41 1ibf n ASN 77 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ibf s LYS 78 N -5.51 0.47 -0.14 3.52 1.02 -1.26 -5.04 119.74 112.80 1ibf s LYS 78 Ca 0.21 -0.86 -0.01 0.00 0.02 0.00 0.00 55.97 55.33 1ibf s LYS 78 Cb -0.10 0.06 -0.02 0.00 -0.52 0.00 0.00 37.83 37.25 1ibf s LYS 78 CO 0.26 -0.05 -0.10 -1.58 -0.92 0.00 0.00 175.35 172.96 1ibf s HIS 79 N -2.31 2.89 0.00 3.18 5.65 -1.26 -0.41 115.29 123.03 1ibf s HIS 79 Ca -0.07 -0.50 0.00 0.00 0.25 0.00 0.00 55.06 54.74 1ibf s HIS 79 Cb -0.04 -1.88 0.00 0.00 -1.18 0.00 0.00 32.58 29.49 1ibf s HIS 79 CO -0.04 -0.13 0.00 0.41 -0.65 0.00 0.00 174.74 174.33 1ibf n GLY 80 N 3.48 4.40 3.92 1.59 0.00 -1.26 -3.90 105.19 113.42 1ibf n GLY 80 Ca -0.18 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 44.92 1ibf n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ibf s PHE 81 N 0.24 3.16 -1.04 1.61 0.40 -1.26 -4.62 117.98 116.48 1ibf s PHE 81 Ca 0.00 0.61 0.26 0.00 -0.60 0.00 0.00 56.93 57.20 1ibf s PHE 81 Cb 0.00 -2.88 1.14 0.00 0.51 0.00 0.00 43.02 41.78 1ibf s PHE 81 CO 0.00 -1.00 1.84 -2.30 0.70 0.00 0.00 175.22 174.46 1ibf n PRO 82 N -2.70 0.04 -0.38 0.24 -0.02 -1.26 -3.27 135.00 127.65 1ibf n PRO 82 Ca 0.06 0.05 0.07 0.00 -2.02 0.00 0.00 63.50 61.65 1ibf n PRO 82 Cb 0.58 -1.50 0.19 0.00 -0.02 0.00 0.00 33.50 32.75 1ibf n PRO 82 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1ibf n TRP 83 N -1.48 0.36 -4.94 6.00 2.14 -1.26 -4.25 117.44 114.00 1ibf n TRP 83 Ca 0.07 -1.19 -0.26 0.00 2.07 0.00 0.00 57.50 58.19 1ibf n TRP 83 Cb 0.30 -0.26 -0.16 0.00 -0.81 0.00 0.00 31.31 30.38 1ibf n TRP 83 CO 0.00 0.00 0.00 0.95 2.07 0.00 0.00 177.69 180.71 1ibf s THR 84 N -3.01 1.53 -0.05 -1.67 -4.23 -1.20 -5.08 115.64 101.93 1ibf s THR 84 Ca 0.37 -0.82 0.13 0.00 -1.18 0.00 0.00 61.69 60.20 1ibf s THR 84 Cb 0.33 -1.28 -0.13 0.00 1.34 0.00 0.00 72.50 72.76 1ibf s THR 84 CO 0.01 0.44 1.04 0.44 -0.54 0.00 0.00 174.62 176.01 1ibf h ASP 85 N 5.78 0.00 -0.43 3.99 3.32 -1.93 -3.39 116.42 123.75 1ibf h ASP 85 Ca -0.37 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.40 1ibf h ASP 85 Cb 1.15 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.59 1ibf h ASP 85 CO 0.48 0.76 0.10 -0.67 -1.72 0.00 0.00 179.24 178.19 1ibf n ASP 86 N -3.11 5.92 -3.74 6.45 2.03 -1.26 -4.82 116.55 118.02 1ibf n ASP 86 Ca -0.06 -2.82 -0.09 0.00 0.52 0.00 0.00 54.79 52.33 1ibf n ASP 86 Cb 0.89 -1.23 -0.03 0.00 -0.72 0.00 0.00 41.12 40.03 1ibf n ASP 86 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ibf s ASN 87 N 1.08 -0.29 -0.35 1.67 4.22 -1.26 -4.67 114.94 115.35 1ibf s ASN 87 Ca 0.45 -0.48 -0.41 0.00 -2.14 0.00 0.00 52.86 50.28 1ibf s ASN 87 Cb 0.27 0.62 -0.18 0.00 1.28 0.00 0.00 41.25 43.24 1ibf s ASN 87 CO -0.07 -1.12 1.32 1.41 -2.04 0.00 0.00 177.10 176.61 1ibf n HIS 88 N -0.38 1.35 0.34 1.54 8.25 0.45 -4.78 115.22 121.99 1ibf n HIS 88 Ca -0.09 1.01 0.10 0.00 -0.26 0.00 0.00 57.72 58.48 1ibf n HIS 88 Cb 0.62 -1.96 0.47 0.00 1.12 0.00 0.00 29.99 30.23 1ibf n HIS 88 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1ibf n LYS 89 N 3.07 0.15 -0.01 -0.41 4.81 -1.00 -2.07 118.16 122.70 1ibf n LYS 89 Ca 0.25 0.46 0.14 0.00 -0.87 0.00 0.00 58.31 58.29 1ibf n LYS 89 Cb -0.03 -1.83 0.58 0.00 0.02 0.00 0.00 35.03 33.77 1ibf n LYS 89 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ibf n GLY 90 N -0.37 -0.15 3.64 3.14 0.00 -0.19 -4.76 105.19 106.50 1ibf n GLY 90 Ca 0.01 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 1ibf n GLY 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ibf s ASP 91 N -1.95 6.66 0.34 1.61 1.01 -0.88 -0.59 116.67 122.87 1ibf s ASP 91 Ca 0.39 1.64 0.08 0.00 0.71 0.00 0.00 52.55 55.37 1ibf s ASP 91 Cb 0.21 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.56 1ibf s ASP 91 CO 0.33 -1.02 0.20 -0.76 0.21 0.00 0.00 175.17 174.13 1ibf s LEU 92 N 4.33 3.38 0.57 1.23 1.43 -1.01 -4.19 118.68 124.42 1ibf s LEU 92 Ca 0.63 -0.67 -0.19 0.00 -1.03 0.00 0.00 54.13 52.87 1ibf s LEU 92 Cb -0.23 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 1ibf s LEU 92 CO 0.24 -0.32 1.18 -2.84 0.23 0.00 0.00 176.35 174.84 1ibf s PRO 93 N -3.90 3.13 0.65 1.29 0.02 -1.26 -4.66 135.00 130.27 1ibf s PRO 93 Ca 0.39 1.77 -0.18 0.00 0.02 0.00 0.00 61.00 63.00 1ibf s PRO 93 Cb -0.04 -1.98 -0.01 0.00 0.02 0.00 0.00 34.50 32.50 1ibf s PRO 93 CO 0.24 -1.07 1.28 0.00 -0.33 0.00 0.00 177.00 177.13 1ibf s ALA 94 N -1.64 2.36 -0.22 -1.55 0.00 -1.26 -4.56 121.76 114.89 1ibf s ALA 94 Ca 0.75 1.18 -0.10 0.00 0.00 0.00 0.00 51.96 53.80 1ibf s ALA 94 Cb -0.28 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.24 1ibf s ALA 94 CO 0.31 -1.60 0.13 -1.17 0.00 0.00 0.00 175.76 173.43 1ibf s LEU 95 N -4.41 4.07 -0.08 0.00 2.96 -0.38 -4.86 118.68 115.96 1ibf s LEU 95 Ca 0.82 0.13 -0.20 0.00 -0.22 0.00 0.00 54.13 54.66 1ibf s LEU 95 Cb -0.37 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.21 1ibf s LEU 95 CO 0.40 0.12 0.56 0.12 -1.32 0.00 0.00 176.35 176.23 1ibf s PHE 96 N 0.72 3.56 -0.18 5.38 5.36 -1.26 -0.39 117.98 131.17 1ibf s PHE 96 Ca 0.07 1.04 0.01 0.00 -0.96 0.00 0.00 56.93 57.09 1ibf s PHE 96 Cb -0.13 -2.63 0.02 0.00 -0.34 0.00 0.00 43.02 39.95 1ibf s PHE 96 CO 0.01 0.18 -0.20 0.08 -1.46 0.00 0.00 175.22 173.84 1ibf s VAL 97 N 0.51 2.06 1.24 3.12 1.01 0.14 -4.33 120.40 124.15 1ibf s VAL 97 Ca 0.30 -0.94 -0.16 0.00 0.00 0.00 0.00 61.98 61.18 1ibf s VAL 97 Cb -0.16 -1.85 0.31 0.00 0.00 0.00 0.00 36.38 34.67 1ibf s VAL 97 CO 0.14 0.54 1.00 -0.44 0.00 0.00 0.00 175.10 176.34 1ibf s SER 98 N 1.27 0.39 0.52 3.32 0.01 0.14 -0.41 113.70 118.94 1ibf s SER 98 Ca 0.04 1.21 0.24 0.00 1.31 0.00 0.00 55.95 58.75 1ibf s SER 98 Cb -0.13 -1.84 1.41 0.00 0.21 0.00 0.00 66.02 65.67 1ibf s SER 98 CO -0.12 -4.52 2.10 0.00 0.41 0.00 0.00 173.24 171.11 1ibf h ALA 99 N -2.84 1.50 -0.08 1.44 0.00 -1.96 -0.28 119.26 117.03 1ibf h ALA 99 Ca -0.55 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1ibf h ALA 99 Cb 1.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ibf h ALA 99 CO 0.44 0.12 0.00 0.27 0.00 0.00 0.00 179.25 180.08 1ibf n ASN 100 N -3.94 0.70 -0.29 0.00 6.94 -1.26 -4.78 115.26 112.63 1ibf n ASN 100 Ca -0.02 -2.02 -0.04 0.00 -0.02 0.00 0.00 54.58 52.47 1ibf n ASN 100 Cb 0.19 -0.16 -0.02 0.00 -2.36 0.00 0.00 39.78 37.43 1ibf n ASN 100 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ibf n GLY 101 N 0.51 0.65 3.77 4.83 0.00 -0.12 -4.75 105.19 110.09 1ibf n GLY 101 Ca 0.03 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 1ibf n GLY 101 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ibf s LEU 102 N -0.88 3.86 -0.24 0.99 1.43 -1.26 -2.30 118.68 120.29 1ibf s LEU 102 Ca 0.00 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 1ibf s LEU 102 Cb 0.00 -2.25 0.05 0.00 0.03 0.00 0.00 46.19 44.02 1ibf s LEU 102 CO 0.00 0.27 -0.12 0.00 0.23 0.00 0.00 176.35 176.73 1ibf s ALA 103 N -1.19 2.44 0.00 4.21 0.00 -1.05 0.25 121.76 126.43 1ibf s ALA 103 Ca 0.23 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.60 1ibf s ALA 103 Cb -0.12 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.53 1ibf s ALA 103 CO 0.14 -1.00 0.05 0.25 0.00 0.00 0.00 175.76 175.20 1ibf n THR 104 N 4.50 0.00 -2.48 0.00 -2.24 -1.26 -2.53 114.28 110.27 1ibf n THR 104 Ca -0.15 -0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.10 1ibf n THR 104 Cb 0.44 1.43 -0.02 0.00 -2.10 0.00 0.00 70.33 70.08 1ibf n THR 104 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ibf s ASN 105 N -0.09 6.71 0.74 3.42 3.04 -1.26 -4.64 114.94 122.87 1ibf s ASN 105 Ca 0.00 1.09 -0.14 0.00 0.04 0.00 0.00 52.86 53.85 1ibf s ASN 105 Cb 0.00 -2.54 0.05 0.00 -1.54 0.00 0.00 41.25 37.21 1ibf s ASN 105 CO 0.00 -1.07 1.16 -2.16 -3.04 0.00 0.00 177.10 172.00 1ibf s PRO 106 N 4.11 2.17 0.01 0.43 0.04 -1.26 -4.61 135.00 135.89 1ibf s PRO 106 Ca 0.53 1.58 -0.05 0.00 0.04 0.00 0.00 61.00 63.10 1ibf s PRO 106 Cb -0.15 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 1ibf s PRO 106 CO 0.22 -1.77 0.08 0.08 0.04 0.00 0.00 177.00 175.65 1ibf s VAL 107 N -2.26 0.10 -0.02 -0.36 1.01 0.66 -4.97 120.40 114.56 1ibf s VAL 107 Ca 0.70 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.93 1ibf s VAL 107 Cb -0.25 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 1ibf s VAL 107 CO 0.47 -0.46 -0.25 -0.22 0.00 0.00 0.00 175.10 174.64 1ibf s LEU 108 N -1.54 2.10 -0.31 3.92 2.96 -1.26 0.84 118.68 125.38 1ibf s LEU 108 Ca -0.13 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.36 1ibf s LEU 108 Cb -0.07 -1.36 0.09 0.00 0.50 0.00 0.00 46.19 45.35 1ibf s LEU 108 CO -0.00 0.32 0.00 0.00 -1.32 0.00 0.00 176.35 175.35 1ibf s ALA 109 N -0.62 2.72 0.20 5.97 0.00 -0.46 -4.59 121.76 124.98 1ibf s ALA 109 Ca 0.10 -2.24 0.23 0.00 0.00 0.00 0.00 51.96 50.05 1ibf s ALA 109 Cb -0.10 -1.83 0.96 0.00 0.00 0.00 0.00 23.12 22.16 1ibf s ALA 109 CO -0.01 -1.53 1.85 -1.00 0.00 0.00 0.00 175.76 175.07 1ibf h PRO 110 N 7.69 0.00 -0.00 0.00 0.13 -1.78 -0.40 132.00 137.63 1ibf h PRO 110 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1ibf h PRO 110 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1ibf h PRO 110 CO 0.50 0.24 -0.20 0.54 -0.23 0.00 0.00 178.00 178.85 1ibf n ARG 111 N -3.49 0.62 -4.07 0.86 1.74 -1.26 -4.52 116.66 106.53 1ibf n ARG 111 Ca -0.00 -0.29 -0.23 0.00 -0.77 0.00 0.00 57.85 56.56 1ibf n ARG 111 Cb 0.41 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.31 1ibf n ARG 111 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ibf s LEU 112 N -2.58 3.93 0.11 0.55 1.43 -1.20 -5.09 118.68 115.83 1ibf s LEU 112 Ca 0.24 -0.13 0.10 0.00 -1.03 0.00 0.00 54.13 53.31 1ibf s LEU 112 Cb 0.19 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 1ibf s LEU 112 CO 0.52 -0.00 -0.25 0.42 0.23 0.00 0.00 176.35 177.27 1ibf s THR 113 N -1.96 2.06 0.15 5.49 -4.23 -1.26 -3.81 115.64 112.09 1ibf s THR 113 Ca 0.33 -1.64 -0.15 0.00 -1.18 0.00 0.00 61.69 59.05 1ibf s THR 113 Cb -0.09 -1.83 0.03 0.00 1.34 0.00 0.00 72.50 71.95 1ibf s THR 113 CO 0.25 0.07 1.77 0.25 -0.54 0.00 0.00 174.62 176.43 1ibf h LEU 114 N 4.06 0.56 -0.84 4.79 7.12 -1.94 -3.13 115.31 125.92 1ibf h LEU 114 Ca -0.49 -0.08 0.14 0.00 0.13 0.00 0.00 57.88 57.59 1ibf h LEU 114 Cb 1.17 -0.14 -0.09 0.00 -0.53 0.00 0.00 40.66 41.07 1ibf h LEU 114 CO 0.40 0.47 0.44 0.11 -0.13 0.00 0.00 178.44 179.73 1ibf h LYS 115 N 0.60 0.62 0.00 1.25 1.57 -1.97 -2.03 116.57 116.61 1ibf h LYS 115 Ca 0.16 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1ibf h LYS 115 Cb 0.03 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1ibf h LYS 115 CO -0.03 0.41 0.00 -0.85 -0.57 0.00 0.00 179.45 178.41 1ibf n GLU 116 N -4.86 0.06 0.16 3.15 0.28 -1.18 -3.36 120.64 114.88 1ibf n GLU 116 Ca 0.17 0.23 0.12 0.00 -0.16 0.00 0.00 57.16 57.52 1ibf n GLU 116 Cb 0.41 -1.60 0.23 0.00 1.43 0.00 0.00 31.44 31.91 1ibf n GLU 116 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1ibf h LEU 117 N 0.00 0.00 -9.61 -1.84 3.38 -1.45 -3.47 115.31 102.32 1ibf h LEU 117 Ca 0.00 -0.02 -0.56 0.00 0.09 0.00 0.00 57.88 57.39 1ibf h LEU 117 Cb 0.36 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.18 1ibf h LEU 117 CO 0.00 0.01 0.85 1.17 0.09 0.00 0.00 178.44 180.56 1ibf n LYS 118 N -2.71 2.41 -0.71 1.13 4.81 -1.22 -1.65 118.16 120.22 1ibf n LYS 118 Ca 0.04 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.34 1ibf n LYS 118 Cb 0.49 -2.64 0.00 0.00 0.02 0.00 0.00 35.03 32.90 1ibf n LYS 118 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ibf n GLY 119 N 3.22 0.74 3.77 3.14 0.00 0.17 -5.03 105.19 111.19 1ibf n GLY 119 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 1ibf n GLY 119 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ibf s HIS 120 N -2.66 2.86 0.04 1.61 3.76 -0.66 -2.25 115.29 118.00 1ibf s HIS 120 Ca 0.00 -0.26 0.02 0.00 -0.15 0.00 0.00 55.06 54.67 1ibf s HIS 120 Cb 0.00 -1.53 -0.04 0.00 1.11 0.00 0.00 32.58 32.12 1ibf s HIS 120 CO 0.00 0.40 0.05 0.00 -0.85 0.00 0.00 174.74 174.34 1ibf s ALA 121 N -2.30 3.46 -0.16 -1.40 0.00 -1.18 -0.08 121.76 120.11 1ibf s ALA 121 Ca 0.36 -0.98 -0.05 0.00 0.00 0.00 0.00 51.96 51.29 1ibf s ALA 121 Cb -0.06 -1.41 -0.03 0.00 0.00 0.00 0.00 23.12 21.62 1ibf s ALA 121 CO 0.24 0.70 0.01 0.42 0.00 0.00 0.00 175.76 177.13 1ibf s ILE 122 N -1.25 4.31 0.03 0.00 1.01 0.09 0.39 121.20 125.78 1ibf s ILE 122 Ca 0.25 -0.21 0.08 0.00 0.00 0.00 0.00 60.65 60.77 1ibf s ILE 122 Cb -0.12 -2.90 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 1ibf s ILE 122 CO 0.16 0.50 -0.25 -0.32 0.00 0.00 0.00 174.94 175.03 1ibf s MET 123 N 0.20 1.79 -0.09 2.79 1.75 -0.63 -2.05 119.30 123.06 1ibf s MET 123 Ca 0.01 -1.01 0.03 0.00 -1.25 0.00 0.00 55.69 53.47 1ibf s MET 123 Cb -0.13 -1.88 0.01 0.00 2.84 0.00 0.00 34.83 35.66 1ibf s MET 123 CO 0.02 0.50 -0.20 0.42 -0.65 0.00 0.00 175.02 175.11 1ibf s ILE 124 N -0.74 1.74 0.39 10.11 1.01 0.17 -2.59 121.20 131.29 1ibf s ILE 124 Ca 0.10 -0.83 0.08 0.00 0.00 0.00 0.00 60.65 60.00 1ibf s ILE 124 Cb -0.10 -1.53 -0.00 0.00 0.01 0.00 0.00 42.46 40.84 1ibf s ILE 124 CO 0.01 0.49 0.49 -1.00 0.00 0.00 0.00 174.94 174.93 1ibf s HIS 125 N 0.52 2.89 -0.04 3.97 3.76 0.44 -0.57 115.29 126.25 1ibf s HIS 125 Ca -0.16 -0.36 -0.24 0.00 -0.15 0.00 0.00 55.06 54.16 1ibf s HIS 125 Cb -0.17 -2.19 -0.23 0.00 1.11 0.00 0.00 32.58 31.10 1ibf s HIS 125 CO 0.06 -0.21 1.05 0.00 -0.85 0.00 0.00 174.74 174.79 1ibf h ALA 126 N 0.83 0.04 -3.94 -1.40 0.00 -1.05 -3.34 119.26 110.40 1ibf h ALA 126 Ca -0.42 -0.47 -0.27 0.00 0.00 0.00 0.00 54.91 53.74 1ibf h ALA 126 Cb 1.27 0.01 0.09 0.00 0.00 0.00 0.00 17.79 19.16 1ibf h ALA 126 CO 0.50 0.11 0.20 0.41 0.00 0.00 0.00 179.25 180.48 1ibf n GLY 127 N 1.02 -0.72 0.00 0.00 0.00 0.17 -4.79 105.19 100.87 1ibf n GLY 127 Ca -0.10 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1ibf n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibf n GLY 128 N -0.21 0.64 3.01 -0.02 0.00 -1.24 -0.09 105.19 107.27 1ibf n GLY 128 Ca 0.10 -1.68 -0.04 0.00 0.00 0.00 0.00 46.02 44.41 1ibf n GLY 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ibf s ASP 129 N -1.00 -0.40 -0.10 1.61 -1.08 -1.23 -2.40 116.67 112.07 1ibf s ASP 129 Ca 0.00 0.10 0.12 0.00 -0.52 0.00 0.00 52.55 52.25 1ibf s ASP 129 Cb 0.00 1.50 0.52 0.00 -1.46 0.00 0.00 42.92 43.48 1ibf s ASP 129 CO 0.00 -0.31 1.37 -0.46 0.52 0.00 0.00 175.17 176.28 1ibf n ASN 130 N 5.38 3.68 -3.89 -0.34 6.94 -1.10 -4.85 115.26 121.08 1ibf n ASN 130 Ca 0.00 -2.39 -0.26 0.00 -0.02 0.00 0.00 54.58 51.91 1ibf n ASN 130 Cb 0.51 -0.52 0.01 0.00 -2.36 0.00 0.00 39.78 37.42 1ibf n ASN 130 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1ibf n HIS 131 N 0.65 -1.87 -3.61 -2.53 8.25 -1.26 -4.97 115.22 109.87 1ibf n HIS 131 Ca 0.18 0.82 -0.10 0.00 -0.26 0.00 0.00 57.72 58.36 1ibf n HIS 131 Cb 0.72 -3.93 -0.03 0.00 1.12 0.00 0.00 29.99 27.88 1ibf n HIS 131 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ibf s SER 132 N -4.05 -0.39 -0.09 0.41 0.15 -1.25 -4.19 113.70 104.29 1ibf s SER 132 Ca 0.21 -0.28 0.17 0.00 0.70 0.00 0.00 55.95 56.75 1ibf s SER 132 Cb -0.11 0.60 0.65 0.00 -1.71 0.00 0.00 66.02 65.45 1ibf s SER 132 CO 0.86 -1.04 1.54 0.47 1.20 0.00 0.00 173.24 176.26 1ibf n ASP 133 N -0.36 4.25 -3.91 5.45 8.00 -1.26 -0.37 116.55 128.34 1ibf n ASP 133 Ca -0.13 -2.34 -0.14 0.00 0.71 0.00 0.00 54.79 52.89 1ibf n ASP 133 Cb 0.63 -0.54 -0.14 0.00 -0.02 0.00 0.00 41.12 41.05 1ibf n ASP 133 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1ibf s MET 134 N -1.72 0.21 0.46 -1.24 -1.94 -1.26 -3.14 119.30 110.67 1ibf s MET 134 Ca 0.46 -0.08 0.30 0.00 -1.71 0.00 0.00 55.69 54.66 1ibf s MET 134 Cb 0.29 -0.21 1.21 0.00 2.01 0.00 0.00 34.83 38.13 1ibf s MET 134 CO 0.24 0.05 1.89 -1.35 -0.01 0.00 0.00 175.02 175.83 1ibf h PRO 135 N 6.14 0.00 -6.61 2.03 0.11 -1.98 -3.49 132.00 128.21 1ibf h PRO 135 Ca -0.27 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 65.15 1ibf h PRO 135 Cb 1.20 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.05 1ibf h PRO 135 CO 0.50 0.00 -0.85 0.15 -0.21 0.00 0.00 178.00 177.59 1ibf s LYS 136 N -3.54 2.03 0.68 1.05 1.02 -1.25 -5.08 119.74 114.64 1ibf s LYS 136 Ca 0.02 -0.98 -0.17 0.00 0.02 0.00 0.00 55.97 54.86 1ibf s LYS 136 Cb 0.09 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.30 1ibf s LYS 136 CO 0.51 0.54 1.23 0.00 -0.92 0.00 0.00 175.35 176.72 1ibf n ALA 137 N 1.95 0.79 -1.67 5.17 0.00 -1.19 -2.83 120.51 122.73 1ibf n ALA 137 Ca -0.17 -0.06 -0.20 0.00 0.00 0.00 0.00 53.44 53.01 1ibf n ALA 137 Cb 0.52 -2.28 -0.08 0.00 0.00 0.00 0.00 19.45 17.61 1ibf n ALA 137 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ibf n LEU 138 N -2.00 -1.49 0.00 0.00 4.77 -1.26 -1.89 117.00 115.13 1ibf n LEU 138 Ca 0.15 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 1ibf n LEU 138 Cb 0.48 -2.77 0.00 0.00 -2.33 0.00 0.00 43.42 38.81 1ibf n LEU 138 CO 0.47 -0.95 0.00 0.61 -1.33 0.00 0.00 177.39 176.20 1ibf n GLY 139 N -0.44 0.69 2.11 -0.72 0.00 0.50 -3.82 105.19 103.51 1ibf n GLY 139 Ca -0.20 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.80 1ibf n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibf n GLY 140 N -2.55 0.56 0.33 -0.02 0.00 -0.79 -2.73 105.19 100.00 1ibf n GLY 140 Ca 0.00 -0.62 0.06 0.00 0.00 0.00 0.00 46.02 45.45 1ibf n GLY 140 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ibf h GLY 141 N 0.00 0.74 0.00 -0.02 0.00 -1.57 -3.32 103.07 98.90 1ibf h GLY 141 Ca -0.04 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1ibf h GLY 141 CO 0.06 0.22 0.00 0.61 0.00 0.00 0.00 176.54 177.43 1ibf n GLY 142 N -1.47 0.84 3.68 4.60 0.00 -1.26 0.44 105.19 112.02 1ibf n GLY 142 Ca 0.07 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 1ibf n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibf n ALA 143 N 6.78 -0.32 -2.63 4.61 0.00 -1.26 -4.74 120.51 122.95 1ibf n ALA 143 Ca 0.00 -0.40 -0.39 0.00 0.00 0.00 0.00 53.44 52.65 1ibf n ALA 143 Cb 0.00 -2.22 -0.08 0.00 0.00 0.00 0.00 19.45 17.15 1ibf n ALA 143 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ibf s ARG 144 N -4.23 4.09 -0.11 0.00 0.52 -1.26 -1.40 118.95 116.56 1ibf s ARG 144 Ca 0.71 0.19 0.18 0.00 -0.52 0.00 0.00 55.73 56.29 1ibf s ARG 144 Cb -0.27 -3.61 -0.26 0.00 0.52 0.00 0.00 34.95 31.32 1ibf s ARG 144 CO 0.53 -0.22 0.23 1.33 0.02 0.00 0.00 175.30 177.18 1ibf n VAL 145 N 4.87 0.68 -3.86 3.52 0.24 0.26 -4.78 118.33 119.26 1ibf n VAL 145 Ca -0.07 -0.62 -0.12 0.00 -2.04 0.00 0.00 64.34 61.50 1ibf n VAL 145 Cb 0.50 -0.26 -0.12 0.00 -1.47 0.00 0.00 33.84 32.49 1ibf n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ibf s ALA 146 N -2.84 -0.21 0.05 2.33 0.00 -0.88 -1.17 121.76 119.04 1ibf s ALA 146 Ca -0.08 0.11 -0.13 0.00 0.00 0.00 0.00 51.96 51.86 1ibf s ALA 146 Cb 0.09 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.14 1ibf s ALA 146 CO 0.77 -0.08 0.29 0.00 0.00 0.00 0.00 175.76 176.74 1ibf s GLY 148 N -2.19 -0.51 -0.04 0.00 0.00 -0.87 0.24 107.32 103.95 1ibf s GLY 148 Ca -0.03 1.21 -0.03 0.00 0.00 0.00 0.00 44.72 45.87 1ibf s GLY 148 CO -0.05 0.88 0.12 0.14 0.00 0.00 0.00 173.10 174.19 1ibf s VAL 149 N -1.10 5.07 -0.88 1.40 1.01 -1.26 -0.73 120.40 123.91 1ibf s VAL 149 Ca -0.11 -0.17 -0.15 0.00 0.00 0.00 0.00 61.98 61.55 1ibf s VAL 149 Cb -0.01 -3.29 0.19 0.00 0.00 0.00 0.00 36.38 33.27 1ibf s VAL 149 CO 0.09 0.43 0.92 -0.63 0.00 0.00 0.00 175.10 175.91 1ibf s ILE 150 N -1.16 5.31 -2.00 2.22 1.01 0.89 -4.73 121.20 122.75 1ibf s ILE 150 Ca 0.21 -2.21 0.05 0.00 0.00 0.00 0.00 60.65 58.70 1ibf s ILE 150 Cb -0.12 -4.59 0.14 0.00 0.01 0.00 0.00 42.46 37.89 1ibf s ILE 150 CO 0.12 -1.22 0.76 0.00 0.00 0.00 0.00 174.94 174.60