#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dxm s ASN 2 N 0.00 5.58 0.04 6.43 2.47 -1.26 -5.00 114.94 123.20 1dxm s ASN 2 Ca 0.00 0.00 0.08 0.00 0.42 0.00 0.00 52.86 53.36 1dxm s ASN 2 Cb 0.00 -1.98 -0.03 0.00 -1.45 0.00 0.00 41.25 37.79 1dxm s ASN 2 CO 0.00 0.09 -0.20 -0.69 -3.72 0.00 0.00 177.10 172.58 1dxm s VAL 3 N 0.89 2.61 0.05 -5.21 1.01 -1.26 -4.39 120.40 114.10 1dxm s VAL 3 Ca 0.05 -1.23 0.05 0.00 0.00 0.00 0.00 61.98 60.85 1dxm s VAL 3 Cb -0.14 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1dxm s VAL 3 CO 0.03 0.35 -0.08 -0.76 0.00 0.00 0.00 175.10 174.65 1dxm s LEU 4 N -1.36 3.13 0.09 3.92 1.43 -1.26 -5.07 118.68 119.58 1dxm s LEU 4 Ca 0.14 -0.25 -0.04 0.00 -1.03 0.00 0.00 54.13 52.95 1dxm s LEU 4 Cb -0.10 -1.86 -0.22 0.00 0.03 0.00 0.00 46.19 44.04 1dxm s LEU 4 CO 0.04 0.23 1.20 0.44 0.23 0.00 0.00 176.35 178.49 1dxm h ASP 5 N 4.05 0.44 0.00 2.29 5.19 -2.00 -3.35 116.42 123.04 1dxm h ASP 5 Ca -0.48 -0.44 0.00 0.00 -0.62 0.00 0.00 57.03 55.49 1dxm h ASP 5 Cb 1.17 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.53 1dxm h ASP 5 CO 0.54 1.30 0.00 0.61 -3.12 0.00 0.00 179.24 178.57 1dxm n GLY 6 N 1.35 1.43 3.15 2.75 0.00 -1.26 -4.61 105.19 107.99 1dxm n GLY 6 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 1dxm n GLY 6 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dxm s LEU 7 N 0.00 2.40 -0.13 0.99 1.43 -1.26 -4.81 118.68 117.30 1dxm s LEU 7 Ca 0.00 -0.81 -0.04 0.00 -1.03 0.00 0.00 54.13 52.26 1dxm s LEU 7 Cb 0.00 -0.22 -0.03 0.00 0.03 0.00 0.00 46.19 45.96 1dxm s LEU 7 CO 0.00 -0.30 -0.01 -0.54 0.23 0.00 0.00 176.35 175.74 1dxm s LYS 8 N -2.79 3.46 0.38 1.70 3.01 -1.15 -4.11 119.74 120.23 1dxm s LYS 8 Ca 0.04 -0.45 0.08 0.00 -1.01 0.00 0.00 55.97 54.63 1dxm s LYS 8 Cb -0.02 -2.91 -0.05 0.00 -1.01 0.00 0.00 37.83 33.83 1dxm s LYS 8 CO -0.01 0.42 0.12 0.71 0.51 0.00 0.00 175.35 177.10 1dxm s TYR 9 N -0.11 2.60 0.06 3.18 1.51 0.31 -0.99 117.35 123.92 1dxm s TYR 9 Ca 0.04 -0.52 0.08 0.00 -1.01 0.00 0.00 57.07 55.66 1dxm s TYR 9 Cb -0.13 -1.77 -0.03 0.00 -0.11 0.00 0.00 41.96 39.92 1dxm s TYR 9 CO 0.02 0.30 -0.22 0.00 -1.11 0.00 0.00 175.55 174.54 1dxm s ALA 10 N -2.55 1.88 0.55 3.71 0.00 -0.21 -2.13 121.76 123.01 1dxm s ALA 10 Ca 0.39 -1.16 0.26 0.00 0.00 0.00 0.00 51.96 51.44 1dxm s ALA 10 Cb 0.02 -0.34 1.46 0.00 0.00 0.00 0.00 23.12 24.26 1dxm s ALA 10 CO 0.21 0.42 2.02 -1.35 0.00 0.00 0.00 175.76 177.07 1dxm h PRO 11 N 4.61 0.00 -0.38 0.00 0.11 -1.99 0.14 132.00 134.49 1dxm h PRO 11 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1dxm h PRO 11 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1dxm h PRO 11 CO 0.42 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.08 1dxm n SER 12 N -4.18 0.81 -0.64 -2.05 3.41 -1.26 -4.88 113.62 104.83 1dxm n SER 12 Ca 0.07 -2.04 -0.08 0.00 -0.26 0.00 0.00 58.87 56.56 1dxm n SER 12 Cb 0.50 -0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.21 1dxm n SER 12 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1dxm n HIS 13 N -0.15 -0.05 -3.72 7.33 8.25 0.48 -4.91 115.22 122.46 1dxm n HIS 13 Ca 0.03 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.22 1dxm n HIS 13 Cb 0.17 -1.69 -0.03 0.00 1.12 0.00 0.00 29.99 29.56 1dxm n HIS 13 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1dxm s GLU 14 N -2.88 3.51 0.19 -0.41 8.01 -1.24 -0.67 118.70 125.21 1dxm s GLU 14 Ca 0.00 -0.36 0.09 0.00 0.01 0.00 0.00 54.97 54.70 1dxm s GLU 14 Cb 0.00 -2.85 -0.04 0.00 -4.31 0.00 0.00 34.13 26.92 1dxm s GLU 14 CO 0.00 0.41 -0.18 1.67 0.01 0.00 0.00 175.26 177.18 1dxm s TRP 15 N -1.85 1.85 0.14 1.61 1.48 -0.55 -1.05 118.94 120.57 1dxm s TRP 15 Ca 0.38 -0.48 0.07 0.00 -1.06 0.00 0.00 56.10 55.01 1dxm s TRP 15 Cb -0.11 -0.89 -0.04 0.00 -1.16 0.00 0.00 33.47 31.27 1dxm s TRP 15 CO 0.29 0.38 -0.15 0.08 -4.06 0.00 0.00 176.95 173.49 1dxm s VAL 16 N -2.32 1.52 -0.15 -0.66 1.01 -0.16 -2.58 120.40 117.06 1dxm s VAL 16 Ca 0.19 -1.84 -0.04 0.00 0.00 0.00 0.00 61.98 60.29 1dxm s VAL 16 Cb -0.04 -1.69 0.05 0.00 0.00 0.00 0.00 36.38 34.70 1dxm s VAL 16 CO 0.08 -0.41 0.07 -0.75 0.00 0.00 0.00 175.10 174.09 1dxm s LYS 17 N -2.83 0.20 -0.07 2.72 2.20 -0.37 -2.94 119.74 118.64 1dxm s LYS 17 Ca 0.13 -0.07 -0.18 0.00 -0.36 0.00 0.00 55.97 55.48 1dxm s LYS 17 Cb -0.05 -1.64 -0.05 0.00 -1.51 0.00 0.00 37.83 34.59 1dxm s LYS 17 CO 0.04 -0.59 0.48 -1.58 -0.36 0.00 0.00 175.35 173.34 1dxm s HIS 18 N 2.07 3.59 -0.39 4.03 5.65 -1.26 -1.08 115.29 127.90 1dxm s HIS 18 Ca 0.02 0.95 0.03 0.00 0.25 0.00 0.00 55.06 56.32 1dxm s HIS 18 Cb -0.15 -2.50 0.16 0.00 -1.18 0.00 0.00 32.58 28.91 1dxm s HIS 18 CO -0.08 0.30 0.39 -1.21 -0.65 0.00 0.00 174.74 173.50 1dxm s GLU 19 N 0.12 0.71 1.15 2.88 2.02 -0.46 -5.02 118.70 120.11 1dxm s GLU 19 Ca 0.26 -1.09 0.00 0.00 0.02 0.00 0.00 54.97 54.16 1dxm s GLU 19 Cb -0.16 -0.80 0.00 0.00 0.10 0.00 0.00 34.13 33.28 1dxm s GLU 19 CO 0.12 -1.24 0.00 0.41 0.02 0.00 0.00 175.26 174.57 1dxm n GLY 20 N 3.91 2.11 1.13 -1.39 0.00 -1.26 -2.98 105.19 106.70 1dxm n GLY 20 Ca 0.15 0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.25 1dxm n GLY 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dxm n SER 21 N 5.19 0.63 -3.91 1.61 3.41 -1.26 -5.09 113.62 114.21 1dxm n SER 21 Ca 0.00 -2.00 -0.10 0.00 -0.26 0.00 0.00 58.87 56.50 1dxm n SER 21 Cb 0.00 -0.26 -0.11 0.00 -0.26 0.00 0.00 64.21 63.57 1dxm n SER 21 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1dxm s VAL 22 N -0.01 0.07 -0.06 -3.33 -7.23 -1.16 -4.42 120.40 104.26 1dxm s VAL 22 Ca 0.21 -0.61 0.05 0.00 -1.81 0.00 0.00 61.98 59.82 1dxm s VAL 22 Cb 0.25 -0.28 -0.00 0.00 0.56 0.00 0.00 36.38 36.90 1dxm s VAL 22 CO -0.11 -0.34 -0.21 0.00 -0.31 0.00 0.00 175.10 174.13 1dxm s ALA 23 N -1.06 1.89 -0.21 1.32 0.00 -0.33 -1.36 121.76 122.01 1dxm s ALA 23 Ca -0.12 -0.87 -0.07 0.00 0.00 0.00 0.00 51.96 50.90 1dxm s ALA 23 Cb -0.07 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 1dxm s ALA 23 CO 0.00 0.33 0.05 0.99 0.00 0.00 0.00 175.76 177.13 1dxm s THR 24 N 0.03 4.41 0.10 0.00 2.01 -0.24 -0.31 115.64 121.65 1dxm s THR 24 Ca -0.07 -0.15 0.07 0.00 0.31 0.00 0.00 61.69 61.85 1dxm s THR 24 Cb -0.14 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 1dxm s THR 24 CO 0.04 0.41 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.65 1dxm s ILE 25 N 0.89 3.36 0.01 1.82 1.01 0.16 -1.24 121.20 127.21 1dxm s ILE 25 Ca 0.03 -1.26 -0.01 0.00 0.00 0.00 0.00 60.65 59.41 1dxm s ILE 25 Cb -0.14 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.77 1dxm s ILE 25 CO 0.02 0.12 0.04 0.61 0.00 0.00 0.00 174.94 175.73 1dxm n GLY 26 N 0.73 1.29 3.49 6.18 0.00 -1.07 -0.84 105.19 114.97 1dxm n GLY 26 Ca -0.14 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 1dxm n GLY 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1dxm s ILE 27 N -2.56 2.94 1.18 -0.61 -4.36 -1.26 -1.49 121.20 115.04 1dxm s ILE 27 Ca 0.01 -1.27 -0.16 0.00 -0.26 0.00 0.00 60.65 58.97 1dxm s ILE 27 Cb -0.00 -2.30 0.27 0.00 1.25 0.00 0.00 42.46 41.69 1dxm s ILE 27 CO 0.00 0.24 1.05 0.42 0.24 0.00 0.00 174.94 176.89 1dxm s THR 28 N -1.04 1.76 0.19 8.37 -4.23 0.16 -4.54 115.64 116.31 1dxm s THR 28 Ca 0.17 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.68 1dxm s THR 28 Cb -0.11 -2.30 -0.08 0.00 1.34 0.00 0.00 72.50 71.35 1dxm s THR 28 CO 0.08 0.00 1.47 -0.78 -0.54 0.00 0.00 174.62 174.85 1dxm h ASP 29 N -2.56 0.43 -0.69 3.99 3.58 -1.90 -2.82 116.42 116.46 1dxm h ASP 29 Ca -0.53 -0.27 -0.02 0.00 0.42 0.00 0.00 57.03 56.63 1dxm h ASP 29 Cb 1.33 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 42.22 1dxm h ASP 29 CO 0.45 0.99 0.34 -0.74 -2.88 0.00 0.00 179.24 177.40 1dxm h HIS 30 N 0.26 1.00 0.19 0.28 2.76 -1.93 -1.48 115.15 116.23 1dxm h HIS 30 Ca -0.02 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.10 1dxm h HIS 30 Cb 1.23 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.88 1dxm h HIS 30 CO 0.04 0.73 -0.09 0.00 -1.30 0.00 0.00 177.93 177.30 1dxm h ALA 31 N 1.37 -0.25 -0.13 5.26 0.00 -1.82 -1.78 119.26 121.92 1dxm h ALA 31 Ca 0.25 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1dxm h ALA 31 Cb 0.10 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1dxm h ALA 31 CO -0.03 -0.57 -0.37 -0.56 0.00 0.00 0.00 179.25 177.72 1dxm h GLN 32 N -0.39 0.26 -0.27 0.00 -0.00 -1.39 0.12 115.11 113.45 1dxm h GLN 32 Ca -0.03 -0.11 -0.07 0.00 -0.00 0.00 0.00 58.65 58.44 1dxm h GLN 32 Cb 0.30 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.48 27.76 1dxm h GLN 32 CO 0.04 0.60 -0.15 0.22 -0.00 0.00 0.00 178.83 179.54 1dxm h ASP 33 N 0.23 0.44 0.63 0.06 3.58 -1.18 -1.32 116.42 118.86 1dxm h ASP 33 Ca 0.03 -0.12 -0.27 0.00 0.42 0.00 0.00 57.03 57.09 1dxm h ASP 33 Cb 0.75 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.66 1dxm h ASP 33 CO 0.06 0.62 -1.41 0.45 -2.88 0.00 0.00 179.24 176.08 1dxm h HIS 34 N 0.42 0.21 -0.15 0.28 3.86 -0.80 -3.33 115.15 115.64 1dxm h HIS 34 Ca 0.08 -0.15 -0.11 0.00 -1.16 0.00 0.00 60.37 59.02 1dxm h HIS 34 Cb 0.51 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 1dxm h HIS 34 CO 0.02 1.18 -0.39 -0.07 0.86 0.00 0.00 177.93 179.52 1dxm h LEU 35 N 0.03 0.34 0.00 2.43 3.38 -0.51 -3.50 115.31 117.49 1dxm h LEU 35 Ca -0.18 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1dxm h LEU 35 Cb 1.94 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.59 1dxm h LEU 35 CO 0.13 0.70 0.00 0.61 0.09 0.00 0.00 178.44 179.98 1dxm n GLY 36 N -0.18 -2.14 3.66 0.83 0.00 -0.52 -4.62 105.19 102.22 1dxm n GLY 36 Ca -0.01 -1.75 -0.51 0.00 0.00 0.00 0.00 46.02 43.74 1dxm n GLY 36 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1dxm n GLU 37 N -0.09 1.73 -2.77 1.61 2.13 -1.26 -4.84 120.64 117.15 1dxm n GLU 37 Ca 0.00 0.61 -0.42 0.00 0.66 0.00 0.00 57.16 58.02 1dxm n GLU 37 Cb 0.00 -2.48 -0.03 0.00 0.27 0.00 0.00 31.44 29.20 1dxm n GLU 37 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1dxm s VAL 38 N 4.52 4.83 -0.70 6.31 1.01 -1.26 -2.23 120.40 132.88 1dxm s VAL 38 Ca 0.97 1.89 0.09 0.00 0.00 0.00 0.00 61.98 64.93 1dxm s VAL 38 Cb -0.81 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.29 1dxm s VAL 38 CO 0.55 0.04 0.52 1.33 0.00 0.00 0.00 175.10 177.54 1dxm n VAL 39 N 4.50 0.00 -3.60 2.92 0.24 0.21 -3.97 118.33 118.63 1dxm n VAL 39 Ca 0.07 -0.38 -0.11 0.00 -2.04 0.00 0.00 64.34 61.88 1dxm n VAL 39 Cb 0.49 1.07 -0.06 0.00 -1.47 0.00 0.00 33.84 33.87 1dxm n VAL 39 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1dxm s PHE 40 N -1.42 -0.45 -0.06 6.34 5.36 -1.13 -4.84 117.98 121.78 1dxm s PHE 40 Ca 0.06 0.93 0.00 0.00 -0.96 0.00 0.00 56.93 56.96 1dxm s PHE 40 Cb 0.07 0.41 0.02 0.00 -0.34 0.00 0.00 43.02 43.18 1dxm s PHE 40 CO 0.26 -0.32 -0.04 0.08 -1.46 0.00 0.00 175.22 173.74 1dxm s VAL 41 N -0.52 0.61 -0.35 3.12 1.01 -1.26 -0.63 120.40 122.37 1dxm s VAL 41 Ca -0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 61.98 61.79 1dxm s VAL 41 Cb -0.02 -0.66 0.04 0.00 0.00 0.00 0.00 36.38 35.74 1dxm s VAL 41 CO -0.01 0.26 0.14 -1.61 0.00 0.00 0.00 175.10 173.88 1dxm s GLU 42 N 1.28 2.65 0.21 2.72 2.02 0.40 -4.72 118.70 123.25 1dxm s GLU 42 Ca -0.05 -1.19 0.06 0.00 0.02 0.00 0.00 54.97 53.80 1dxm s GLU 42 Cb -0.14 -3.54 -0.04 0.00 0.10 0.00 0.00 34.13 30.52 1dxm s GLU 42 CO -0.02 -0.70 0.21 -0.51 0.02 0.00 0.00 175.26 174.25 1dxm s LEU 43 N 1.43 3.93 1.11 1.80 1.43 -1.26 -1.01 118.68 126.11 1dxm s LEU 43 Ca -0.00 -0.12 -0.18 0.00 -1.03 0.00 0.00 54.13 52.80 1dxm s LEU 43 Cb -0.20 -2.50 0.25 0.00 0.03 0.00 0.00 46.19 43.77 1dxm s LEU 43 CO 0.03 0.01 1.20 -2.16 0.23 0.00 0.00 176.35 175.66 1dxm s PRO 44 N -3.52 -0.48 -0.02 1.29 0.04 -1.23 -4.97 135.00 126.10 1dxm s PRO 44 Ca 0.32 -0.21 -0.03 0.00 0.04 0.00 0.00 61.00 61.12 1dxm s PRO 44 Cb -0.09 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 1dxm s PRO 44 CO 0.25 -3.19 0.18 -2.00 0.04 0.00 0.00 177.00 172.28 1dxm s GLU 45 N -5.61 3.44 0.48 4.56 2.56 -1.26 -4.95 118.70 117.93 1dxm s GLU 45 Ca 0.72 -0.30 -0.24 0.00 0.00 0.00 0.00 54.97 55.15 1dxm s GLU 45 Cb -0.07 -3.10 -0.07 0.00 2.00 0.00 0.00 34.13 32.88 1dxm s GLU 45 CO 0.55 0.68 1.38 -2.14 -0.56 0.00 0.00 175.26 175.17 1dxm s PRO 46 N -1.87 3.51 0.00 4.30 0.02 -1.26 -2.52 135.00 137.18 1dxm s PRO 46 Ca 0.26 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.59 1dxm s PRO 46 Cb -0.13 -2.51 0.00 0.00 0.02 0.00 0.00 34.50 31.89 1dxm s PRO 46 CO 0.18 -0.92 0.00 0.41 -0.33 0.00 0.00 177.00 176.33 1dxm n GLY 47 N 0.63 3.13 3.78 0.52 0.00 0.24 -4.98 105.19 108.51 1dxm n GLY 47 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1dxm n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dxm s VAL 48 N -2.22 3.35 -0.15 1.61 1.01 -1.05 -4.58 120.40 118.38 1dxm s VAL 48 Ca 0.00 1.02 -0.16 0.00 0.00 0.00 0.00 61.98 62.84 1dxm s VAL 48 Cb 0.00 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1dxm s VAL 48 CO 0.00 -0.01 0.40 -0.44 0.00 0.00 0.00 175.10 175.06 1dxm s SER 49 N -1.44 6.56 0.11 3.32 0.01 -1.26 0.35 113.70 121.34 1dxm s SER 49 Ca 0.61 0.66 0.02 0.00 1.31 0.00 0.00 55.95 58.55 1dxm s SER 49 Cb -0.26 -2.24 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 1dxm s SER 49 CO 0.32 0.02 0.23 0.68 0.41 0.00 0.00 173.24 174.89 1dxm s VAL 50 N 0.71 5.24 0.01 3.43 -7.23 0.10 -4.96 120.40 117.71 1dxm s VAL 50 Ca 0.22 -0.59 0.08 0.00 -1.81 0.00 0.00 61.98 59.87 1dxm s VAL 50 Cb -0.14 -3.62 -0.02 0.00 0.56 0.00 0.00 36.38 33.15 1dxm s VAL 50 CO 0.08 0.02 -0.23 -0.89 -0.31 0.00 0.00 175.10 173.77 1dxm s THR 51 N -1.62 1.87 -0.03 5.32 2.01 -1.26 -1.66 115.64 120.27 1dxm s THR 51 Ca 0.34 -1.13 -0.33 0.00 0.31 0.00 0.00 61.69 60.88 1dxm s THR 51 Cb -0.12 -1.58 -0.11 0.00 0.01 0.00 0.00 72.50 70.70 1dxm s THR 51 CO 0.27 0.42 1.88 1.17 -0.69 0.00 0.00 174.62 177.67 1dxm n LYS 52 N 2.20 2.35 0.00 4.92 4.81 -1.22 -1.68 118.16 129.54 1dxm n LYS 52 Ca -0.16 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.14 1dxm n LYS 52 Cb 0.52 -2.73 0.00 0.00 0.02 0.00 0.00 35.03 32.85 1dxm n LYS 52 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1dxm n GLY 53 N 4.35 2.33 3.91 3.14 0.00 0.23 -4.97 105.19 114.19 1dxm n GLY 53 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 1dxm n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dxm s LYS 54 N -0.65 3.54 0.25 1.61 1.02 -0.67 -4.76 119.74 120.08 1dxm s LYS 54 Ca 0.00 -0.27 -0.30 0.00 0.02 0.00 0.00 55.97 55.42 1dxm s LYS 54 Cb 0.00 -2.90 -0.09 0.00 -0.52 0.00 0.00 37.83 34.32 1dxm s LYS 54 CO 0.00 0.49 1.17 0.20 -0.92 0.00 0.00 175.35 176.29 1dxm s GLY 55 N -2.68 2.89 -0.02 -3.33 0.00 -1.26 -1.02 107.32 101.89 1dxm s GLY 55 Ca 0.38 0.98 0.05 0.00 0.00 0.00 0.00 44.72 46.13 1dxm s GLY 55 CO 0.27 1.72 0.09 1.97 0.00 0.00 0.00 173.10 177.15 1dxm n PHE 56 N 1.70 0.00 -2.74 1.90 1.16 -0.81 -4.89 117.46 113.78 1dxm n PHE 56 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.59 1dxm n PHE 56 Cb 0.44 -0.16 0.00 0.00 -1.61 0.00 0.00 39.48 38.15 1dxm n PHE 56 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1dxm n GLY 57 N 2.33 2.15 3.26 4.97 0.00 -1.23 -3.55 105.19 113.11 1dxm n GLY 57 Ca -0.03 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 1dxm n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dxm s ALA 58 N -1.00 -0.73 -0.09 4.61 0.00 -0.18 -1.51 121.76 122.86 1dxm s ALA 58 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 51.96 52.03 1dxm s ALA 58 Cb 0.00 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.46 1dxm s ALA 58 CO 0.00 -0.43 -0.19 0.08 0.00 0.00 0.00 175.76 175.23 1dxm s VAL 59 N -2.59 1.66 -0.08 0.00 1.01 -0.15 -0.45 120.40 119.80 1dxm s VAL 59 Ca -0.05 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1dxm s VAL 59 Cb -0.01 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1dxm s VAL 59 CO -0.04 0.47 -0.08 -1.61 0.00 0.00 0.00 175.10 173.84 1dxm s GLU 60 N 0.57 2.90 0.31 2.72 8.01 0.20 -0.17 118.70 133.23 1dxm s GLU 60 Ca -0.15 -0.58 0.02 0.00 0.01 0.00 0.00 54.97 54.26 1dxm s GLU 60 Cb -0.17 -2.60 0.02 0.00 -4.31 0.00 0.00 34.13 27.07 1dxm s GLU 60 CO 0.05 0.55 0.14 -1.13 0.01 0.00 0.00 175.26 174.89 1dxm n SER 61 N 2.55 2.33 0.27 -0.19 3.41 0.11 -0.62 113.62 121.49 1dxm n SER 61 Ca -0.18 -2.18 0.16 0.00 -0.26 0.00 0.00 58.87 56.41 1dxm n SER 61 Cb 0.53 0.07 0.67 0.00 -0.26 0.00 0.00 64.21 65.22 1dxm n SER 61 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1dxm h VAL 62 N 0.81 0.17 0.01 -3.33 -1.51 -1.70 -3.30 116.25 107.40 1dxm h VAL 62 Ca -0.22 -0.61 -0.42 0.00 -1.23 0.00 0.00 66.70 64.22 1dxm h VAL 62 Cb 0.74 1.52 -0.06 0.00 -2.13 0.00 0.00 31.29 31.36 1dxm h VAL 62 CO 0.35 0.06 -2.34 2.29 -1.23 0.00 0.00 177.57 176.71 1dxm n LYS 63 N -3.20 0.61 -4.07 5.19 2.85 -1.26 -5.10 118.16 113.18 1dxm n LYS 63 Ca 0.00 0.29 -0.15 0.00 -1.05 0.00 0.00 58.31 57.40 1dxm n LYS 63 Cb 0.31 -1.54 -0.03 0.00 -0.65 0.00 0.00 35.03 33.12 1dxm n LYS 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1dxm s ALA 64 N -2.49 0.74 -0.24 0.58 0.00 -1.24 -5.14 121.76 113.96 1dxm s ALA 64 Ca -0.36 -1.52 -0.10 0.00 0.00 0.00 0.00 51.96 49.98 1dxm s ALA 64 Cb 0.12 1.11 -0.05 0.00 0.00 0.00 0.00 23.12 24.31 1dxm s ALA 64 CO 0.54 -0.81 0.16 0.99 0.00 0.00 0.00 175.76 176.64 1dxm s THR 65 N -2.84 5.29 -0.26 0.00 2.01 -1.26 0.07 115.64 118.66 1dxm s THR 65 Ca 0.30 0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.47 1dxm s THR 65 Cb -0.01 -3.47 0.07 0.00 0.01 0.00 0.00 72.50 69.09 1dxm s THR 65 CO 0.21 0.33 -0.06 -0.55 -0.69 0.00 0.00 174.62 173.87 1dxm s SER 66 N 1.16 4.17 0.00 3.53 0.15 0.76 -4.99 113.70 118.47 1dxm s SER 66 Ca 0.07 -1.37 -0.30 0.00 0.70 0.00 0.00 55.95 55.05 1dxm s SER 66 Cb -0.14 -1.35 -0.05 0.00 -1.71 0.00 0.00 66.02 62.78 1dxm s SER 66 CO 0.05 -0.24 1.23 -1.81 1.20 0.00 0.00 173.24 173.67 1dxm s ASP 67 N 1.25 7.03 -0.24 5.45 1.01 -1.26 -0.98 116.67 128.93 1dxm s ASP 67 Ca -0.05 1.94 -0.14 0.00 0.71 0.00 0.00 52.55 55.01 1dxm s ASP 67 Cb -0.19 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.13 1dxm s ASP 67 CO -0.07 -0.56 0.34 0.68 0.21 0.00 0.00 175.17 175.78 1dxm s VAL 68 N 1.77 5.22 0.01 -1.27 -7.23 -0.57 -4.97 120.40 113.36 1dxm s VAL 68 Ca 0.58 0.55 -0.20 0.00 -1.81 0.00 0.00 61.98 61.09 1dxm s VAL 68 Cb -0.28 -3.67 -0.06 0.00 0.56 0.00 0.00 36.38 32.94 1dxm s VAL 68 CO 0.26 0.23 0.59 0.20 -0.31 0.00 0.00 175.10 176.07 1dxm s ASN 69 N 1.32 6.99 -0.04 4.85 0.01 -1.26 -1.93 114.94 124.87 1dxm s ASN 69 Ca 0.15 1.17 -0.30 0.00 -0.71 0.00 0.00 52.86 53.18 1dxm s ASN 69 Cb -0.15 -2.36 -0.05 0.00 0.41 0.00 0.00 41.25 39.10 1dxm s ASN 69 CO 0.08 0.12 1.42 -0.55 -1.51 0.00 0.00 177.10 176.66 1dxm s SER 70 N -0.30 6.84 0.56 -1.22 0.15 -0.19 -4.86 113.70 114.68 1dxm s SER 70 Ca 0.31 2.05 0.32 0.00 0.70 0.00 0.00 55.95 59.33 1dxm s SER 70 Cb -0.18 -2.55 1.64 0.00 -1.71 0.00 0.00 66.02 63.21 1dxm s SER 70 CO 0.17 -0.76 2.12 1.55 1.20 0.00 0.00 173.24 177.53 1dxm h PRO 71 N 8.19 0.00 -4.18 5.44 0.13 -1.90 0.69 132.00 140.37 1dxm h PRO 71 Ca -0.36 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.49 1dxm h PRO 71 Cb 1.16 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 1dxm h PRO 71 CO 0.92 0.07 -0.22 0.96 -0.23 0.00 0.00 178.00 179.50 1dxm s ILE 72 N -4.10 0.00 0.26 -3.56 -4.36 -1.26 -4.63 121.20 103.55 1dxm s ILE 72 Ca -0.03 -1.63 0.06 0.00 -0.26 0.00 0.00 60.65 58.79 1dxm s ILE 72 Cb 0.12 -2.61 -0.03 0.00 1.25 0.00 0.00 42.46 41.20 1dxm s ILE 72 CO 0.54 0.00 0.36 -0.44 0.24 0.00 0.00 174.94 175.64 1dxm s SER 73 N -3.24 6.14 0.00 4.36 0.01 -1.26 -3.44 113.70 116.27 1dxm s SER 73 Ca 0.31 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.55 1dxm s SER 73 Cb -0.00 -1.68 0.00 0.00 0.21 0.00 0.00 66.02 64.55 1dxm s SER 73 CO 0.20 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.33 1dxm n GLY 74 N -1.42 -2.03 3.64 3.44 0.00 -0.67 -2.26 105.19 105.90 1dxm n GLY 74 Ca -0.07 -1.35 -0.35 0.00 0.00 0.00 0.00 46.02 44.25 1dxm n GLY 74 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dxm s GLU 75 N -1.94 3.42 -0.06 1.61 2.12 -1.03 0.02 118.70 122.84 1dxm s GLU 75 Ca 0.00 -0.40 -0.30 0.00 0.36 0.00 0.00 54.97 54.63 1dxm s GLU 75 Cb 0.00 -2.95 -0.04 0.00 0.26 0.00 0.00 34.13 31.41 1dxm s GLU 75 CO 0.00 0.49 1.27 0.08 -0.54 0.00 0.00 175.26 176.56 1dxm s VAL 76 N -0.29 4.11 -0.11 3.70 1.01 0.16 -1.12 120.40 127.86 1dxm s VAL 76 Ca 0.07 1.44 0.09 0.00 0.00 0.00 0.00 61.98 63.58 1dxm s VAL 76 Cb -0.12 -3.92 -0.14 0.00 0.00 0.00 0.00 36.38 32.20 1dxm s VAL 76 CO 0.02 -0.03 0.03 2.30 0.00 0.00 0.00 175.10 177.42 1dxm n ILE 77 N 4.78 0.77 -4.04 2.22 -5.35 -0.47 0.81 119.36 118.07 1dxm n ILE 77 Ca 0.12 -0.46 -0.11 0.00 -0.27 0.00 0.00 62.75 62.03 1dxm n ILE 77 Cb 0.45 -0.72 -0.11 0.00 -1.74 0.00 0.00 39.64 37.52 1dxm n ILE 77 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1dxm s GLU 78 N -2.27 0.48 -0.02 6.28 0.41 -0.93 -4.80 118.70 117.85 1dxm s GLU 78 Ca -0.06 -0.79 -0.00 0.00 -0.41 0.00 0.00 54.97 53.70 1dxm s GLU 78 Cb 0.03 -0.10 0.02 0.00 -1.78 0.00 0.00 34.13 32.30 1dxm s GLU 78 CO 0.45 -0.00 0.03 0.08 -0.49 0.00 0.00 175.26 175.33 1dxm s VAL 79 N -1.80 -0.03 -0.98 2.63 1.01 -1.26 -1.14 120.40 118.83 1dxm s VAL 79 Ca -0.09 0.10 -0.24 0.00 0.00 0.00 0.00 61.98 61.76 1dxm s VAL 79 Cb -0.07 -0.07 0.01 0.00 0.00 0.00 0.00 36.38 36.25 1dxm s VAL 79 CO -0.01 0.04 1.67 0.21 0.00 0.00 0.00 175.10 177.01 1dxm s ASN 80 N 0.53 5.92 0.20 3.32 3.84 -0.44 -4.78 114.94 123.52 1dxm s ASN 80 Ca -0.04 -1.15 0.21 0.00 0.21 0.00 0.00 52.86 52.08 1dxm s ASN 80 Cb -0.06 -2.57 0.88 0.00 -0.55 0.00 0.00 41.25 38.95 1dxm s ASN 80 CO -0.02 -2.04 1.63 0.35 -2.79 0.00 0.00 177.10 174.23 1dxm n THR 81 N 7.30 0.92 0.29 -5.21 -2.24 -1.26 -2.28 114.28 111.80 1dxm n THR 81 Ca 0.36 0.28 0.16 0.00 -2.27 0.00 0.00 64.05 62.59 1dxm n THR 81 Cb 0.49 -1.18 0.57 0.00 -2.10 0.00 0.00 70.33 68.11 1dxm n THR 81 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1dxm h GLY 82 N 2.06 0.00 2.00 3.38 0.00 -1.97 -3.06 103.07 105.48 1dxm h GLY 82 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1dxm h GLY 82 CO 0.00 0.00 -0.34 1.41 0.00 0.00 0.00 176.54 177.61 1dxm h LEU 83 N 0.00 0.00 -0.90 3.11 3.38 -1.70 -0.13 115.31 119.07 1dxm h LEU 83 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1dxm h LEU 83 Cb 0.59 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1dxm h LEU 83 CO 0.00 0.34 0.07 0.71 0.09 0.00 0.00 178.44 179.66 1dxm h THR 84 N 0.00 1.24 0.07 0.22 1.35 -1.74 -2.05 112.91 112.00 1dxm h THR 84 Ca -0.00 -0.95 -0.11 0.00 -0.55 0.00 0.00 66.41 64.80 1dxm h THR 84 Cb 0.77 0.74 0.01 0.00 -1.73 0.00 0.00 68.15 67.94 1dxm h THR 84 CO 0.04 0.35 -0.49 1.23 -0.25 0.00 0.00 175.52 176.40 1dxm h GLY 85 N 1.00 0.18 -6.78 5.82 0.00 -1.66 -3.41 103.07 98.22 1dxm h GLY 85 Ca 0.17 -0.45 -0.62 0.00 0.00 0.00 0.00 47.33 46.44 1dxm h GLY 85 CO 0.01 0.39 -0.56 0.28 0.00 0.00 0.00 176.54 176.66 1dxm n LYS 86 N -4.34 2.11 0.31 4.80 5.02 -0.08 -4.90 118.16 121.07 1dxm n LYS 86 Ca -0.13 -4.56 0.19 0.00 -2.02 0.00 0.00 58.31 51.79 1dxm n LYS 86 Cb 0.67 -2.28 1.06 0.00 -0.02 0.00 0.00 35.03 34.46 1dxm n LYS 86 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1dxm h PRO 87 N 4.97 0.00 0.00 1.97 0.11 -1.61 -2.50 132.00 134.93 1dxm h PRO 87 Ca 0.17 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 1dxm h PRO 87 Cb 0.72 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 1dxm h PRO 87 CO 0.77 0.00 -0.04 0.78 -0.21 0.00 0.00 178.00 179.29 1dxm h GLY 88 N 0.00 0.00 1.49 -0.55 0.00 -1.87 -2.84 103.07 99.30 1dxm h GLY 88 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.36 1dxm h GLY 88 CO -0.00 0.00 0.23 1.41 0.00 0.00 0.00 176.54 178.18 1dxm h LEU 89 N 0.00 0.00 -0.27 3.11 3.38 -1.81 0.13 115.31 119.86 1dxm h LEU 89 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1dxm h LEU 89 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1dxm h LEU 89 CO 0.01 0.00 -0.06 0.40 0.09 0.00 0.00 178.44 178.87 1dxm h ILE 90 N 0.00 1.28 -0.20 1.22 1.08 -1.76 0.32 117.51 119.46 1dxm h ILE 90 Ca 0.04 -1.07 -0.12 0.00 -0.39 0.00 0.00 64.86 63.32 1dxm h ILE 90 Cb 0.50 1.44 -0.00 0.00 -3.07 0.00 0.00 36.82 35.69 1dxm h ILE 90 CO -0.00 0.34 -0.34 0.78 -0.69 0.00 0.00 178.15 178.24 1dxm h ASN 91 N 0.26 0.64 0.77 1.72 4.21 -0.98 -2.83 115.58 119.37 1dxm h ASN 91 Ca 0.07 -0.53 -0.25 0.00 1.21 0.00 0.00 56.30 56.79 1dxm h ASN 91 Cb 0.53 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.54 1dxm h ASN 91 CO 0.03 1.05 -1.17 0.77 -1.29 0.00 0.00 177.43 176.82 1dxm h SER 92 N 0.25 0.23 -1.74 5.81 4.64 -1.34 -3.41 113.55 118.00 1dxm h SER 92 Ca 0.01 -0.26 -0.47 0.00 -0.47 0.00 0.00 61.79 60.60 1dxm h SER 92 Cb 0.93 -0.08 -0.36 0.00 -0.31 0.00 0.00 62.40 62.58 1dxm h SER 92 CO 0.08 1.20 -1.08 -0.24 -0.87 0.00 0.00 176.83 175.92 1dxm n SER 93 N -3.44 0.20 -0.26 4.97 2.88 0.11 -4.98 113.62 113.10 1dxm n SER 93 Ca -0.06 -2.99 0.07 0.00 -1.33 0.00 0.00 58.87 54.56 1dxm n SER 93 Cb 0.99 -0.30 0.31 0.00 -0.75 0.00 0.00 64.21 64.46 1dxm n SER 93 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1dxm h PRO 94 N 3.33 0.84 0.00 -1.46 0.13 -1.51 1.30 132.00 134.62 1dxm h PRO 94 Ca 0.06 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.13 1dxm h PRO 94 Cb 0.96 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 1dxm h PRO 94 CO 0.45 0.56 -1.19 0.66 -0.23 0.00 0.00 178.00 178.24 1dxm n TYR 95 N -4.51 0.82 0.00 1.56 4.02 -1.26 -4.25 117.16 113.54 1dxm n TYR 95 Ca 0.14 0.24 0.00 0.00 -0.01 0.00 0.00 57.90 58.27 1dxm n TYR 95 Cb 0.28 -0.90 0.00 0.00 -0.02 0.00 0.00 39.34 38.70 1dxm n TYR 95 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1dxm n GLU 96 N -2.62 0.00 0.17 -0.72 -0.58 -1.13 -4.81 120.64 110.95 1dxm n GLU 96 Ca -0.01 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.86 1dxm n GLU 96 Cb 0.57 0.00 0.36 0.00 -0.57 0.00 0.00 31.44 31.80 1dxm n GLU 96 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1dxm h ASP 97 N 0.00 0.00 -0.05 1.62 3.32 -1.82 -3.20 116.42 116.29 1dxm h ASP 97 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1dxm h ASP 97 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1dxm h ASP 97 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1dxm n GLY 98 N 0.94 1.39 3.77 2.75 0.00 0.44 -4.88 105.19 109.60 1dxm n GLY 98 Ca 0.04 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1dxm n GLY 98 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1dxm s TRP 99 N -1.23 3.01 -0.19 1.61 1.48 -1.21 -4.59 118.94 117.82 1dxm s TRP 99 Ca 0.05 1.38 -0.15 0.00 -1.06 0.00 0.00 56.10 56.32 1dxm s TRP 99 Cb 0.03 -3.71 -0.07 0.00 -1.16 0.00 0.00 33.47 28.56 1dxm s TRP 99 CO 0.02 -1.98 -0.25 -1.33 -4.06 0.00 0.00 176.95 169.34 1dxm n MET 100 N 0.80 0.52 -4.18 3.25 2.81 -0.02 -4.52 117.12 115.79 1dxm n MET 100 Ca 0.00 0.34 -0.11 0.00 -1.81 0.00 0.00 57.70 56.12 1dxm n MET 100 Cb 0.42 -1.54 -0.10 0.00 -0.71 0.00 0.00 33.22 31.28 1dxm n MET 100 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 1dxm s ILE 101 N -2.61 0.24 -0.11 2.02 -4.36 -1.08 -1.33 121.20 113.97 1dxm s ILE 101 Ca -0.27 -1.93 0.01 0.00 -0.26 0.00 0.00 60.65 58.20 1dxm s ILE 101 Cb 0.06 -2.09 0.02 0.00 1.25 0.00 0.00 42.46 41.70 1dxm s ILE 101 CO 0.40 -0.45 -0.12 -0.54 0.24 0.00 0.00 174.94 174.47 1dxm s LYS 102 N -4.02 1.95 0.23 0.37 1.02 -0.29 -0.66 119.74 118.34 1dxm s LYS 102 Ca 0.25 -0.45 0.10 0.00 0.02 0.00 0.00 55.97 55.89 1dxm s LYS 102 Cb 0.07 -1.76 -0.05 0.00 -0.52 0.00 0.00 37.83 35.57 1dxm s LYS 102 CO 0.03 -0.13 -0.19 0.42 -0.92 0.00 0.00 175.35 174.56 1dxm s ILE 103 N 1.21 2.18 -0.53 2.17 1.09 0.58 -1.37 121.20 126.53 1dxm s ILE 103 Ca -0.03 -2.24 -0.17 0.00 -1.10 0.00 0.00 60.65 57.11 1dxm s ILE 103 Cb -0.14 -2.15 0.11 0.00 -1.06 0.00 0.00 42.46 39.22 1dxm s ILE 103 CO -0.04 -0.40 0.52 -0.54 -0.10 0.00 0.00 174.94 174.37 1dxm s LYS 104 N -3.34 3.00 -0.16 2.79 1.02 -0.28 -1.18 119.74 121.59 1dxm s LYS 104 Ca 0.25 -1.52 -0.35 0.00 0.02 0.00 0.00 55.97 54.37 1dxm s LYS 104 Cb -0.04 -4.25 -0.12 0.00 -0.52 0.00 0.00 37.83 32.90 1dxm s LYS 104 CO 0.11 -1.29 1.92 -2.30 -0.92 0.00 0.00 175.35 172.87 1dxm n PRO 105 N 5.46 1.87 0.13 -1.68 -0.02 -1.26 -2.47 135.00 137.03 1dxm n PRO 105 Ca -0.13 0.66 0.11 0.00 -2.02 0.00 0.00 63.50 62.13 1dxm n PRO 105 Cb 0.41 -2.57 0.04 0.00 -0.02 0.00 0.00 33.50 31.36 1dxm n PRO 105 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1dxm h THR 106 N 5.73 0.03 -1.93 3.45 1.35 -1.80 -3.40 112.91 116.34 1dxm h THR 106 Ca -0.45 -1.05 -0.54 0.00 -0.55 0.00 0.00 66.41 63.81 1dxm h THR 106 Cb 1.28 1.66 -0.37 0.00 -1.73 0.00 0.00 68.15 68.99 1dxm h THR 106 CO 0.96 0.02 -1.05 -1.20 -0.25 0.00 0.00 175.52 174.00 1dxm n SER 107 N -2.80 -0.16 -0.31 5.36 7.64 -1.26 -5.01 113.62 117.08 1dxm n SER 107 Ca 0.01 -2.68 0.07 0.00 1.01 0.00 0.00 58.87 57.28 1dxm n SER 107 Cb 0.56 -0.46 0.17 0.00 -1.01 0.00 0.00 64.21 63.47 1dxm n SER 107 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1dxm h PRO 108 N 4.28 0.02 0.00 1.43 0.13 -1.91 -1.72 132.00 134.23 1dxm h PRO 108 Ca 0.09 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1dxm h PRO 108 Cb 0.90 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1dxm h PRO 108 CO 0.43 0.02 0.05 -0.40 -0.23 0.00 0.00 178.00 177.87 1dxm n ASP 109 N -5.50 0.00 0.29 1.44 3.85 -1.26 -1.32 116.55 114.05 1dxm n ASP 109 Ca 0.16 0.44 0.19 0.00 -0.71 0.00 0.00 54.79 54.88 1dxm n ASP 109 Cb 0.53 -0.44 1.01 0.00 -1.35 0.00 0.00 41.12 40.87 1dxm n ASP 109 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1dxm h GLU 110 N 0.00 0.00 0.00 0.11 5.08 -1.74 -0.54 114.58 117.49 1dxm h GLU 110 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1dxm h GLU 110 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1dxm h GLU 110 CO 0.00 0.00 0.00 -0.07 -1.00 0.00 0.00 179.01 177.94 1dxm h LEU 111 N 0.00 0.00 -0.51 1.33 3.38 -1.44 -2.73 115.31 115.34 1dxm h LEU 111 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1dxm h LEU 111 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1dxm h LEU 111 CO 0.00 0.00 -0.42 -0.33 0.09 0.00 0.00 178.44 177.78 1dxm h GLU 112 N 0.00 0.74 0.00 1.13 4.39 -1.33 -2.77 114.58 116.74 1dxm h GLU 112 Ca 0.00 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1dxm h GLU 112 Cb 0.36 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1dxm h GLU 112 CO 0.00 1.02 0.00 0.43 -1.16 0.00 0.00 179.01 179.30 1dxm n SER 113 N -4.03 0.55 -4.76 1.42 7.64 -1.03 -4.76 113.62 108.65 1dxm n SER 113 Ca -0.02 0.65 -0.40 0.00 1.01 0.00 0.00 58.87 60.11 1dxm n SER 113 Cb 0.55 -0.76 -0.06 0.00 -1.01 0.00 0.00 64.21 62.93 1dxm n SER 113 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1dxm s LEU 114 N -4.24 4.58 0.82 -3.43 1.43 -1.05 -5.06 118.68 111.74 1dxm s LEU 114 Ca 0.04 1.72 -0.11 0.00 -1.03 0.00 0.00 54.13 54.75 1dxm s LEU 114 Cb 0.09 -3.40 0.08 0.00 0.03 0.00 0.00 46.19 42.99 1dxm s LEU 114 CO 0.35 0.15 1.09 -0.76 0.23 0.00 0.00 176.35 177.41 1dxm s LEU 115 N -0.92 2.66 0.00 1.79 1.43 -0.91 -4.73 118.68 118.00 1dxm s LEU 115 Ca 0.38 1.60 0.02 0.00 -1.03 0.00 0.00 54.13 55.11 1dxm s LEU 115 Cb -0.24 -4.19 0.02 0.00 0.03 0.00 0.00 46.19 41.81 1dxm s LEU 115 CO 0.28 -2.24 0.14 0.61 0.23 0.00 0.00 176.35 175.37 1dxm n GLY 116 N -1.34 2.50 0.11 -3.19 0.00 -1.26 -0.53 105.19 101.48 1dxm n GLY 116 Ca 0.08 -2.18 -0.13 0.00 0.00 0.00 0.00 46.02 43.79 1dxm n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dxm h ALA 117 N 0.58 -0.20 -0.52 4.61 0.00 -1.81 0.13 119.26 122.05 1dxm h ALA 117 Ca -0.08 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1dxm h ALA 117 Cb 0.31 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1dxm h ALA 117 CO 0.12 -0.59 0.18 0.87 0.00 0.00 0.00 179.25 179.82 1dxm h LYS 118 N -0.23 0.79 -0.44 0.00 1.79 -1.96 0.93 116.57 117.46 1dxm h LYS 118 Ca -0.02 -0.16 -0.01 0.00 -2.18 0.00 0.00 60.65 58.28 1dxm h LYS 118 Cb 0.18 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 1dxm h LYS 118 CO 0.03 0.72 0.25 0.93 -1.08 0.00 0.00 179.45 180.30 1dxm h GLU 119 N 0.70 0.61 -0.51 3.15 5.08 -1.92 -2.08 114.58 119.61 1dxm h GLU 119 Ca 0.17 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1dxm h GLU 119 Cb 0.24 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1dxm h GLU 119 CO -0.01 0.47 0.04 -0.92 -1.00 0.00 0.00 179.01 177.59 1dxm h TYR 120 N 0.58 0.93 -0.50 4.33 3.20 -0.49 -1.52 116.97 123.50 1dxm h TYR 120 Ca 0.16 -0.15 0.01 0.00 3.14 0.00 0.00 58.73 61.89 1dxm h TYR 120 Cb 0.03 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.03 1dxm h TYR 120 CO -0.03 0.86 0.32 1.15 -1.64 0.00 0.00 178.16 178.83 1dxm h THR 121 N 0.74 1.11 -0.66 1.81 2.02 -0.64 0.42 112.91 117.70 1dxm h THR 121 Ca 0.15 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1dxm h THR 121 Cb 0.46 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 1dxm h THR 121 CO 0.02 0.12 0.37 0.50 0.37 0.00 0.00 175.52 176.90 1dxm h LYS 122 N 0.65 0.91 0.23 6.66 3.64 -1.27 -0.47 116.57 126.93 1dxm h LYS 122 Ca 0.19 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1dxm h LYS 122 Cb -0.06 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 1dxm h LYS 122 CO -0.05 0.68 -0.18 0.35 -2.27 0.00 0.00 179.45 177.99 1dxm h PHE 123 N 0.90 -0.46 -0.18 1.91 3.57 -0.25 -0.64 116.94 121.79 1dxm h PHE 123 Ca 0.23 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.78 1dxm h PHE 123 Cb 0.03 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1dxm h PHE 123 CO -0.01 -0.27 0.13 0.00 -2.23 0.00 0.00 178.31 175.93 1dxm h GLU 125 N 0.02 0.46 -0.59 0.00 5.08 -0.29 -1.98 114.58 117.27 1dxm h GLU 125 Ca 0.09 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1dxm h GLU 125 Cb 0.32 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1dxm h GLU 125 CO -0.00 0.78 0.37 0.93 -1.00 0.00 0.00 179.01 180.09 1dxm h GLU 126 N 0.14 0.80 -0.48 2.33 4.39 -0.08 0.25 114.58 121.93 1dxm h GLU 126 Ca 0.04 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.55 1dxm h GLU 126 Cb 0.68 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1dxm h GLU 126 CO 0.04 0.56 -0.19 1.49 -1.16 0.00 0.00 179.01 179.75 1dxm h GLU 127 N 0.80 0.96 -0.10 2.33 4.81 -1.34 -2.28 114.58 119.77 1dxm h GLU 127 Ca 0.21 -0.39 -0.13 0.00 -0.13 0.00 0.00 59.36 58.92 1dxm h GLU 127 Cb -0.05 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1dxm h GLU 127 CO -0.04 1.06 -0.52 -0.44 -0.73 0.00 0.00 179.01 178.33 1dxm h ASP 128 N 0.84 0.31 1.36 1.04 3.32 -1.11 -3.11 116.42 119.07 1dxm h ASP 128 Ca 0.12 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1dxm h ASP 128 Cb 0.75 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.21 1dxm h ASP 128 CO 0.06 0.78 -0.07 0.00 -1.72 0.00 0.00 179.24 178.29 1dxm h ALA 129 N 1.23 0.98 0.00 3.45 0.00 -0.77 -3.21 119.26 120.95 1dxm h ALA 129 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1dxm h ALA 129 Cb 1.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1dxm h ALA 129 CO 0.08 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.42 1dxm n ALA 130 N -2.12 2.29 -1.70 0.00 0.00 -0.87 -5.07 120.51 113.03 1dxm n ALA 130 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1dxm n ALA 130 Cb 0.43 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1dxm n ALA 130 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08