#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cdb s GLU 2 N 0.00 4.22 -0.19 1.97 1.03 -1.26 -5.05 118.70 119.42 1cdb s GLU 2 Ca 0.00 0.75 -0.15 0.00 0.03 0.00 0.00 54.97 55.60 1cdb s GLU 2 Cb 0.00 -3.59 -0.04 0.00 -0.80 0.00 0.00 34.13 29.70 1cdb s GLU 2 CO 0.00 -0.30 0.36 0.42 -1.33 0.00 0.00 175.26 174.41 1cdb s ILE 3 N 2.10 5.23 0.77 1.83 1.01 -1.26 -5.07 121.20 125.81 1cdb s ILE 3 Ca 0.32 0.64 -0.12 0.00 0.00 0.00 0.00 60.65 61.49 1cdb s ILE 3 Cb -0.16 -3.69 0.05 0.00 0.01 0.00 0.00 42.46 38.67 1cdb s ILE 3 CO 0.10 0.29 1.12 -0.89 0.00 0.00 0.00 174.94 175.56 1cdb s THR 4 N 1.12 2.89 -0.90 2.92 2.01 -1.26 -5.01 115.64 117.40 1cdb s THR 4 Ca 0.18 0.29 0.01 0.00 0.31 0.00 0.00 61.69 62.47 1cdb s THR 4 Cb -0.14 -3.22 0.33 0.00 0.01 0.00 0.00 72.50 69.48 1cdb s THR 4 CO 0.07 -0.38 1.59 0.59 -0.69 0.00 0.00 174.62 175.80 1cdb n ASN 5 N -3.24 6.58 -4.28 3.53 3.02 -1.26 -5.02 115.26 114.59 1cdb n ASN 5 Ca 0.07 -3.69 -0.15 0.00 -0.03 0.00 0.00 54.58 50.78 1cdb n ASN 5 Cb 0.58 -1.00 -0.10 0.00 -0.61 0.00 0.00 39.78 38.65 1cdb n ASN 5 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cdb s ALA 6 N -4.10 1.59 -0.29 5.41 0.00 -1.26 -3.90 121.76 119.22 1cdb s ALA 6 Ca 0.42 -1.64 -0.11 0.00 0.00 0.00 0.00 51.96 50.63 1cdb s ALA 6 Cb 0.22 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 1cdb s ALA 6 CO -0.14 -0.22 0.20 -0.51 0.00 0.00 0.00 175.76 175.09 1cdb s LEU 7 N -3.23 4.10 -0.56 0.00 1.43 -0.85 -4.95 118.68 114.61 1cdb s LEU 7 Ca 0.24 -0.09 -0.27 0.00 -1.03 0.00 0.00 54.13 52.97 1cdb s LEU 7 Cb 0.05 -2.12 -0.00 0.00 0.03 0.00 0.00 46.19 44.15 1cdb s LEU 7 CO 0.05 -0.08 1.61 -1.83 0.23 0.00 0.00 176.35 176.33 1cdb s GLU 8 N 1.75 3.06 -0.28 1.70 1.03 -1.26 -2.91 118.70 121.78 1cdb s GLU 8 Ca 0.07 0.58 0.03 0.00 0.03 0.00 0.00 54.97 55.68 1cdb s GLU 8 Cb -0.16 -4.23 0.07 0.00 -0.80 0.00 0.00 34.13 29.01 1cdb s GLU 8 CO 0.11 -2.22 -0.05 0.99 -1.33 0.00 0.00 175.26 172.76 1cdb s THR 9 N 7.21 2.08 0.06 1.83 2.01 -1.09 -5.04 115.64 122.69 1cdb s THR 9 Ca 0.60 -1.80 0.06 0.00 0.31 0.00 0.00 61.69 60.86 1cdb s THR 9 Cb -0.13 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 1cdb s THR 9 CO 0.24 -0.24 -0.08 0.26 -0.69 0.00 0.00 174.62 174.11 1cdb s TRP 10 N 1.09 2.81 -0.30 4.92 0.52 -1.26 -2.24 118.94 124.48 1cdb s TRP 10 Ca -0.02 -0.11 -0.17 0.00 0.02 0.00 0.00 56.10 55.82 1cdb s TRP 10 Cb -0.19 -1.51 0.19 0.00 -1.15 0.00 0.00 33.47 30.81 1cdb s TRP 10 CO -0.07 0.40 1.21 0.20 0.02 0.00 0.00 176.95 178.72 1cdb s GLY 11 N -1.90 0.32 -0.09 0.98 0.00 -1.11 -5.01 107.32 100.51 1cdb s GLY 11 Ca 0.20 3.60 -0.30 0.00 0.00 0.00 0.00 44.72 48.23 1cdb s GLY 11 CO 0.12 3.08 1.10 0.00 0.00 0.00 0.00 173.10 177.40 1cdb s ALA 12 N 1.69 3.47 0.05 3.20 0.00 -1.26 -3.76 121.76 125.15 1cdb s ALA 12 Ca -0.04 0.47 -0.37 0.00 0.00 0.00 0.00 51.96 52.03 1cdb s ALA 12 Cb -0.02 -3.49 -0.19 0.00 0.00 0.00 0.00 23.12 19.42 1cdb s ALA 12 CO -0.14 -0.72 0.94 1.47 0.00 0.00 0.00 175.76 177.30 1cdb n LEU 13 N 5.24 -0.31 -0.57 0.00 -0.00 -1.26 -4.13 117.00 115.97 1cdb n LEU 13 Ca 0.10 1.15 0.00 0.00 -0.00 0.00 0.00 56.01 57.26 1cdb n LEU 13 Cb 0.47 -0.93 0.00 0.00 -0.00 0.00 0.00 43.42 42.97 1cdb n LEU 13 CO 0.54 -2.17 0.00 0.61 -0.00 0.00 0.00 177.39 176.37 1cdb n GLY 14 N 1.62 0.69 3.64 1.47 0.00 -1.20 -4.89 105.19 106.51 1cdb n GLY 14 Ca 0.20 -0.58 -0.04 0.00 0.00 0.00 0.00 46.02 45.59 1cdb n GLY 14 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1cdb s GLN 15 N -2.38 0.63 -0.08 1.61 2.00 -1.18 -4.68 119.66 115.58 1cdb s GLN 15 Ca 0.00 1.35 -0.21 0.00 -2.00 0.00 0.00 55.36 54.50 1cdb s GLN 15 Cb 0.00 0.54 -0.04 0.00 0.80 0.00 0.00 33.01 34.31 1cdb s GLN 15 CO 0.00 -0.18 0.61 -0.51 -0.50 0.00 0.00 175.29 174.71 1cdb s ASP 16 N 2.34 6.87 -0.02 6.67 1.01 -1.26 -1.74 116.67 130.53 1cdb s ASP 16 Ca -0.08 1.04 0.01 0.00 0.71 0.00 0.00 52.55 54.23 1cdb s ASP 16 Cb -0.09 -2.36 0.02 0.00 1.01 0.00 0.00 42.92 41.50 1cdb s ASP 16 CO -0.19 -0.06 -0.02 -0.63 0.21 0.00 0.00 175.17 174.48 1cdb s ILE 17 N 0.68 0.29 0.16 0.77 -1.09 -0.96 -4.88 121.20 116.16 1cdb s ILE 17 Ca 0.33 -0.04 0.03 0.00 -2.23 0.00 0.00 60.65 58.74 1cdb s ILE 17 Cb -0.17 -0.33 -0.03 0.00 -1.58 0.00 0.00 42.46 40.35 1cdb s ILE 17 CO 0.15 0.14 0.30 0.54 -1.23 0.00 0.00 174.94 174.84 1cdb s ASN 18 N 0.64 6.34 -0.11 3.58 2.20 -1.26 -1.77 114.94 124.55 1cdb s ASN 18 Ca -0.07 0.16 0.01 0.00 -0.94 0.00 0.00 52.86 52.02 1cdb s ASN 18 Cb -0.10 -1.90 -0.01 0.00 -2.00 0.00 0.00 41.25 37.23 1cdb s ASN 18 CO -0.01 0.03 -0.16 -0.76 -2.94 0.00 0.00 177.10 173.27 1cdb s LEU 19 N -3.35 2.58 -0.27 3.54 1.43 -0.76 -4.94 118.68 116.90 1cdb s LEU 19 Ca 0.34 -0.36 -0.22 0.00 -1.03 0.00 0.00 54.13 52.87 1cdb s LEU 19 Cb -0.11 -1.56 0.08 0.00 0.03 0.00 0.00 46.19 44.63 1cdb s LEU 19 CO 0.29 0.19 0.72 1.51 0.23 0.00 0.00 176.35 179.28 1cdb s ASP 20 N 0.18 -0.81 -0.22 2.29 -4.77 -1.26 -1.39 116.67 110.69 1cdb s ASP 20 Ca -0.09 1.46 -0.02 0.00 -3.30 0.00 0.00 52.55 50.60 1cdb s ASP 20 Cb -0.15 1.43 0.01 0.00 -1.09 0.00 0.00 42.92 43.11 1cdb s ASP 20 CO 0.05 -0.24 -0.08 0.27 0.70 0.00 0.00 175.17 175.87 1cdb s ILE 21 N 0.83 2.96 1.27 2.11 -4.36 -1.26 -5.13 121.20 117.63 1cdb s ILE 21 Ca -0.04 -0.72 -0.21 0.00 -0.26 0.00 0.00 60.65 59.42 1cdb s ILE 21 Cb -0.05 -2.37 0.33 0.00 1.25 0.00 0.00 42.46 41.62 1cdb s ILE 21 CO -0.07 0.40 0.80 -2.65 0.24 0.00 0.00 174.94 173.65 1cdb n PRO 22 N 4.73 -4.34 -2.13 0.37 -0.02 -1.26 -4.81 135.00 127.54 1cdb n PRO 22 Ca -0.18 -1.33 -0.01 0.00 -2.02 0.00 0.00 63.50 59.96 1cdb n PRO 22 Cb 0.50 -1.64 0.01 0.00 -0.02 0.00 0.00 33.50 32.34 1cdb n PRO 22 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1cdb n SER 23 N -5.39 -4.22 -4.19 2.55 2.88 -1.26 -5.07 113.62 98.91 1cdb n SER 23 Ca 0.12 -0.07 -0.34 0.00 -1.33 0.00 0.00 58.87 57.25 1cdb n SER 23 Cb 0.53 -2.65 -0.14 0.00 -0.75 0.00 0.00 64.21 61.20 1cdb n SER 23 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1cdb s PHE 24 N -3.03 3.08 0.07 0.66 0.08 -1.26 -5.11 117.98 112.47 1cdb s PHE 24 Ca 0.03 -1.60 -0.26 0.00 0.12 0.00 0.00 56.93 55.22 1cdb s PHE 24 Cb -0.00 -2.05 -0.06 0.00 -0.57 0.00 0.00 43.02 40.33 1cdb s PHE 24 CO 0.30 -0.74 0.79 -0.65 -0.10 0.00 0.00 175.22 174.82 1cdb s GLN 25 N 1.31 4.53 0.07 0.44 -0.21 -1.26 -5.03 119.66 119.52 1cdb s GLN 25 Ca -0.00 1.13 -0.31 0.00 0.02 0.00 0.00 55.36 56.20 1cdb s GLN 25 Cb -0.17 -3.35 -0.07 0.00 1.00 0.00 0.00 33.01 30.42 1cdb s GLN 25 CO -0.04 0.32 1.40 0.00 -2.12 0.00 0.00 175.29 174.84 1cdb s MET 26 N -0.22 4.31 0.00 2.91 0.23 -1.26 -4.85 119.30 120.43 1cdb s MET 26 Ca 0.39 2.04 0.00 0.00 -1.03 0.00 0.00 55.69 57.09 1cdb s MET 26 Cb -0.21 -3.37 0.00 0.00 -1.53 0.00 0.00 34.83 29.71 1cdb s MET 26 CO 0.24 -0.48 0.00 0.45 -2.03 0.00 0.00 175.02 173.20 1cdb n SER 27 N 4.48 0.00 -1.91 -1.18 2.88 -1.26 -5.09 113.62 111.54 1cdb n SER 27 Ca 0.12 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.55 1cdb n SER 27 Cb 0.43 0.22 0.04 0.00 -0.75 0.00 0.00 64.21 64.14 1cdb n SER 27 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1cdb n ASP 28 N -2.50 -4.01 -3.10 -3.46 2.03 -1.26 -5.02 116.55 99.24 1cdb n ASP 28 Ca 0.00 -0.24 -0.20 0.00 0.52 0.00 0.00 54.79 54.86 1cdb n ASP 28 Cb 0.00 -2.57 -0.04 0.00 -0.72 0.00 0.00 41.12 37.78 1cdb n ASP 28 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1cdb n ASP 29 N -0.56 -0.56 -3.55 1.67 8.00 -1.26 -5.09 116.55 115.20 1cdb n ASP 29 Ca 0.00 -2.81 -0.24 0.00 0.71 0.00 0.00 54.79 52.46 1cdb n ASP 29 Cb 0.53 -0.08 -0.15 0.00 -0.02 0.00 0.00 41.12 41.40 1cdb n ASP 29 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1cdb s ILE 30 N -0.71 -0.18 -0.09 0.53 1.01 -1.26 -3.87 121.20 116.64 1cdb s ILE 30 Ca 0.34 -0.25 -0.12 0.00 0.00 0.00 0.00 60.65 60.62 1cdb s ILE 30 Cb 0.18 -0.69 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 1cdb s ILE 30 CO -0.14 -0.33 -0.24 -0.67 0.00 0.00 0.00 174.94 173.56 1cdb n ASP 31 N 5.29 1.68 -4.73 3.58 2.03 -1.24 -4.84 116.55 118.32 1cdb n ASP 31 Ca -0.06 0.27 -0.40 0.00 0.52 0.00 0.00 54.79 55.12 1cdb n ASP 31 Cb 0.48 -0.61 -0.05 0.00 -0.72 0.00 0.00 41.12 40.22 1cdb n ASP 31 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1cdb s ASP 32 N -5.94 7.13 -0.07 1.67 1.11 -0.59 -4.76 116.67 115.23 1cdb s ASP 32 Ca -0.20 1.36 -0.01 0.00 0.18 0.00 0.00 52.55 53.87 1cdb s ASP 32 Cb 0.03 -2.45 0.03 0.00 1.07 0.00 0.00 42.92 41.60 1cdb s ASP 32 CO 0.29 -0.04 0.01 -0.63 1.18 0.00 0.00 175.17 175.99 1cdb s ILE 33 N 0.28 0.29 -0.03 0.77 -1.09 -1.11 -2.28 121.20 118.03 1cdb s ILE 33 Ca 0.39 0.18 0.03 0.00 -2.23 0.00 0.00 60.65 59.01 1cdb s ILE 33 Cb -0.19 -0.47 -0.00 0.00 -1.58 0.00 0.00 42.46 40.22 1cdb s ILE 33 CO 0.21 0.25 -0.13 -0.54 -1.23 0.00 0.00 174.94 173.50 1cdb s LYS 34 N 2.00 1.28 -0.20 2.79 -0.14 -0.62 -0.83 119.74 124.02 1cdb s LYS 34 Ca 0.05 -0.44 -0.03 0.00 -1.36 0.00 0.00 55.97 54.18 1cdb s LYS 34 Cb -0.12 -1.16 0.06 0.00 -1.68 0.00 0.00 37.83 34.93 1cdb s LYS 34 CO -0.05 0.19 0.06 -1.58 -0.76 0.00 0.00 175.35 173.20 1cdb s TRP 35 N 0.06 0.85 0.31 3.18 0.52 -1.07 -2.23 118.94 120.57 1cdb s TRP 35 Ca -0.02 -0.79 0.07 0.00 0.02 0.00 0.00 56.10 55.39 1cdb s TRP 35 Cb -0.09 -0.98 -0.03 0.00 -1.15 0.00 0.00 33.47 31.22 1cdb s TRP 35 CO 0.01 -0.61 0.27 -2.00 0.02 0.00 0.00 176.95 174.64 1cdb s GLU 36 N 1.92 2.79 -0.10 4.98 2.12 -0.83 -2.73 118.70 126.85 1cdb s GLU 36 Ca 0.01 -1.22 -0.00 0.00 0.36 0.00 0.00 54.97 54.11 1cdb s GLU 36 Cb -0.17 -2.51 -0.03 0.00 0.26 0.00 0.00 34.13 31.68 1cdb s GLU 36 CO -0.10 0.17 -0.07 -1.59 -0.54 0.00 0.00 175.26 173.12 1cdb s LYS 37 N -3.96 3.04 0.01 4.30 -2.85 -0.23 -0.93 119.74 119.12 1cdb s LYS 37 Ca 0.39 -0.57 0.14 0.00 -1.00 0.00 0.00 55.97 54.94 1cdb s LYS 37 Cb -0.06 -2.66 0.61 0.00 -2.06 0.00 0.00 37.83 33.66 1cdb s LYS 37 CO 0.26 0.50 1.46 0.25 0.10 0.00 0.00 175.35 177.92 1cdb n THR 38 N 2.71 1.03 0.01 3.79 -2.24 -1.26 -1.62 114.28 116.70 1cdb n THR 38 Ca -0.18 0.26 -0.10 0.00 -2.27 0.00 0.00 64.05 61.76 1cdb n THR 38 Cb 0.53 -1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 67.70 1cdb n THR 38 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1cdb h SER 39 N 0.00 -0.72 -0.50 3.42 0.02 -1.96 -3.37 113.55 110.43 1cdb h SER 39 Ca 0.00 0.11 -0.28 0.00 -0.84 0.00 0.00 61.79 60.79 1cdb h SER 39 Cb 0.24 0.32 -0.30 0.00 0.14 0.00 0.00 62.40 62.81 1cdb h SER 39 CO 0.00 -0.29 -0.83 -0.90 -1.14 0.00 0.00 176.83 173.67 1cdb n ASP 40 N -5.36 0.12 -3.24 3.07 5.75 -1.26 -5.04 116.55 110.59 1cdb n ASP 40 Ca -0.03 -2.48 -0.09 0.00 -0.01 0.00 0.00 54.79 52.17 1cdb n ASP 40 Cb 0.28 0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 1cdb n ASP 40 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1cdb n LYS 41 N -0.46 -1.56 -3.65 0.11 5.02 -1.16 -4.99 118.16 111.48 1cdb n LYS 41 Ca 0.02 1.40 -0.39 0.00 -2.02 0.00 0.00 58.31 57.32 1cdb n LYS 41 Cb 0.83 -4.68 -0.10 0.00 -0.02 0.00 0.00 35.03 31.06 1cdb n LYS 41 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1cdb s LYS 42 N -3.39 2.45 -0.65 1.97 2.47 -0.64 -4.90 119.74 117.05 1cdb s LYS 42 Ca 0.06 -1.57 -0.26 0.00 -1.56 0.00 0.00 55.97 52.64 1cdb s LYS 42 Cb -0.01 -3.72 -0.03 0.00 -1.46 0.00 0.00 37.83 32.60 1cdb s LYS 42 CO 0.80 -0.99 1.92 0.21 0.16 0.00 0.00 175.35 177.44 1cdb s LYS 43 N 1.35 2.56 -0.20 4.03 2.20 -1.26 -1.07 119.74 127.35 1cdb s LYS 43 Ca 0.04 0.54 -0.17 0.00 -0.36 0.00 0.00 55.97 56.02 1cdb s LYS 43 Cb -0.23 -4.50 -0.12 0.00 -1.51 0.00 0.00 37.83 31.46 1cdb s LYS 43 CO 0.00 -2.89 -0.06 1.51 -0.36 0.00 0.00 175.35 173.56 1cdb n ILE 44 N 7.38 1.50 -4.02 5.43 0.13 -1.25 -5.01 119.36 123.52 1cdb n ILE 44 Ca 0.25 -0.02 -0.08 0.00 -1.10 0.00 0.00 62.75 61.80 1cdb n ILE 44 Cb 0.51 -2.13 -0.09 0.00 -0.84 0.00 0.00 39.64 37.09 1cdb n ILE 44 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1cdb s ALA 45 N -2.55 0.29 -0.04 1.51 0.00 -1.10 -4.39 121.76 115.48 1cdb s ALA 45 Ca -0.27 -1.04 -0.30 0.00 0.00 0.00 0.00 51.96 50.35 1cdb s ALA 45 Cb 0.06 0.50 0.08 0.00 0.00 0.00 0.00 23.12 23.77 1cdb s ALA 45 CO 0.46 -0.46 0.73 1.14 0.00 0.00 0.00 175.76 177.62 1cdb s GLN 46 N -3.93 1.00 -0.16 0.00 1.03 -1.08 -2.60 119.66 113.92 1cdb s GLN 46 Ca 0.10 0.15 -0.09 0.00 0.04 0.00 0.00 55.36 55.57 1cdb s GLN 46 Cb 0.06 0.47 -0.05 0.00 0.03 0.00 0.00 33.01 33.53 1cdb s GLN 46 CO -0.07 -0.33 0.14 -0.06 -2.54 0.00 0.00 175.29 172.43 1cdb s PHE 47 N -1.50 3.50 0.00 9.60 0.40 -0.01 -1.59 117.98 128.37 1cdb s PHE 47 Ca -0.08 0.44 0.00 0.00 -0.60 0.00 0.00 56.93 56.69 1cdb s PHE 47 Cb -0.00 -2.07 0.00 0.00 0.51 0.00 0.00 43.02 41.46 1cdb s PHE 47 CO 0.06 0.49 0.00 -2.13 0.70 0.00 0.00 175.22 174.34 1cdb n ARG 48 N 2.82 0.00 -3.52 0.44 0.63 -1.05 -2.74 116.66 113.25 1cdb n ARG 48 Ca -0.18 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.66 1cdb n ARG 48 Cb 0.53 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.35 1cdb n ARG 48 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1cdb s LYS 49 N 1.84 0.31 -0.25 -0.14 2.20 -1.22 -4.70 119.74 117.78 1cdb s LYS 49 Ca 0.00 0.77 -0.04 0.00 -0.36 0.00 0.00 55.97 56.35 1cdb s LYS 49 Cb 0.00 -0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.24 1cdb s LYS 49 CO 0.00 -0.43 0.14 0.39 -0.36 0.00 0.00 175.35 175.09 1cdb n GLU 50 N 5.37 -2.29 -0.73 4.03 -0.58 -1.26 -4.12 120.64 121.05 1cdb n GLU 50 Ca -0.06 2.02 0.00 0.00 -0.42 0.00 0.00 57.16 58.70 1cdb n GLU 50 Cb 0.50 -4.32 0.00 0.00 -0.57 0.00 0.00 31.44 27.05 1cdb n GLU 50 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1cdb n LYS 51 N 0.23 -0.23 -3.51 3.49 5.02 -1.26 -4.98 118.16 116.92 1cdb n LYS 51 Ca 0.03 0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 55.96 1cdb n LYS 51 Cb 0.11 -3.89 -0.07 0.00 -0.02 0.00 0.00 35.03 31.16 1cdb n LYS 51 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1cdb s GLU 52 N -0.76 2.75 -0.22 1.97 0.41 -1.26 -4.99 118.70 116.59 1cdb s GLU 52 Ca 0.00 -2.01 -0.04 0.00 -0.41 0.00 0.00 54.97 52.51 1cdb s GLU 52 Cb 0.00 -4.03 0.09 0.00 -1.78 0.00 0.00 34.13 28.41 1cdb s GLU 52 CO 0.00 -1.23 0.19 0.99 -0.49 0.00 0.00 175.26 174.73 1cdb s THR 53 N 0.94 -0.25 0.25 3.63 2.01 -1.26 -2.51 115.64 118.44 1cdb s THR 53 Ca 0.09 -0.28 -0.30 0.00 0.31 0.00 0.00 61.69 61.52 1cdb s THR 53 Cb -0.23 -0.75 -0.09 0.00 0.01 0.00 0.00 72.50 71.44 1cdb s THR 53 CO -0.02 -0.34 1.22 -0.36 -0.69 0.00 0.00 174.62 174.42 1cdb s PHE 54 N 2.26 3.35 0.00 4.92 0.40 -0.62 -4.96 117.98 123.33 1cdb s PHE 54 Ca 0.07 1.46 0.00 0.00 -0.60 0.00 0.00 56.93 57.86 1cdb s PHE 54 Cb -0.16 -3.48 0.00 0.00 0.51 0.00 0.00 43.02 39.90 1cdb s PHE 54 CO -0.19 -1.29 0.00 1.63 0.70 0.00 0.00 175.22 176.07 1cdb n LYS 55 N 1.74 0.00 0.00 0.44 5.02 -1.26 -2.65 118.16 121.46 1cdb n LYS 55 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1cdb n LYS 55 Cb 0.44 -0.26 0.00 0.00 -0.02 0.00 0.00 35.03 35.19 1cdb n LYS 55 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1cdb n GLU 56 N -2.73 0.00 -1.36 1.97 4.07 -1.26 -4.63 120.64 116.70 1cdb n GLU 56 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1cdb n GLU 56 Cb 0.25 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.63 1cdb n GLU 56 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1cdb n LYS 57 N 0.00 0.00 0.00 5.31 3.00 -1.25 -5.03 118.16 120.20 1cdb n LYS 57 Ca 0.00 0.45 0.00 0.00 -0.00 0.00 0.00 58.31 58.76 1cdb n LYS 57 Cb 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 35.03 34.13 1cdb n LYS 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1cdb n ASP 58 N 0.00 0.00 -3.09 3.14 8.00 -1.26 -4.74 116.55 118.60 1cdb n ASP 58 Ca 0.00 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.14 1cdb n ASP 58 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.12 1cdb n ASP 58 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1cdb n THR 59 N 0.00 4.18 -4.62 -3.53 -2.24 -1.26 -5.04 114.28 101.76 1cdb n THR 59 Ca 0.00 -5.14 -0.33 0.00 -2.27 0.00 0.00 64.05 56.30 1cdb n THR 59 Cb 0.00 -1.37 -0.14 0.00 -2.10 0.00 0.00 70.33 66.72 1cdb n THR 59 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1cdb s TYR 60 N -4.00 2.89 -0.15 4.78 6.14 -1.26 -1.71 117.35 124.03 1cdb s TYR 60 Ca 0.47 -0.54 -0.06 0.00 0.64 0.00 0.00 57.07 57.57 1cdb s TYR 60 Cb 0.33 -1.89 0.07 0.00 0.42 0.00 0.00 41.96 40.88 1cdb s TYR 60 CO -0.25 -0.17 0.34 0.15 0.64 0.00 0.00 175.55 176.26 1cdb s LYS 61 N 0.39 0.26 -0.32 4.97 1.02 -0.95 -3.76 119.74 121.36 1cdb s LYS 61 Ca -0.08 0.80 -0.27 0.00 0.02 0.00 0.00 55.97 56.44 1cdb s LYS 61 Cb -0.15 0.06 0.01 0.00 -0.52 0.00 0.00 37.83 37.22 1cdb s LYS 61 CO 0.04 -0.22 0.97 -0.51 -0.92 0.00 0.00 175.35 174.71 1cdb s LEU 62 N 2.03 3.99 0.00 3.17 1.43 -1.26 -1.84 118.68 126.21 1cdb s LEU 62 Ca -0.04 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 53.95 1cdb s LEU 62 Cb -0.11 -3.37 0.00 0.00 0.03 0.00 0.00 46.19 42.74 1cdb s LEU 62 CO -0.11 -0.79 0.00 0.33 0.23 0.00 0.00 176.35 176.01 1cdb n PHE 63 N 6.65 0.00 -3.15 0.29 7.35 0.50 -4.96 117.46 124.14 1cdb n PHE 63 Ca 0.09 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.83 1cdb n PHE 63 Cb 0.47 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.30 1cdb n PHE 63 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 1cdb s LYS 64 N 0.00 0.37 0.00 -4.13 2.20 -1.26 -4.92 119.74 112.00 1cdb s LYS 64 Ca 0.00 0.52 0.00 0.00 -0.36 0.00 0.00 55.97 56.13 1cdb s LYS 64 Cb 0.00 0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.59 1cdb s LYS 64 CO 0.00 -0.53 0.00 -1.71 -0.36 0.00 0.00 175.35 172.75 1cdb n ASN 65 N 5.37 0.00 0.00 1.43 5.15 -1.26 -4.92 115.26 121.03 1cdb n ASN 65 Ca 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 1cdb n ASN 65 Cb 0.54 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.79 1cdb n ASN 65 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1cdb n GLY 66 N 0.00 -1.75 3.38 8.20 0.00 -1.26 -5.01 105.19 108.76 1cdb n GLY 66 Ca 0.00 0.75 -0.10 0.00 0.00 0.00 0.00 46.02 46.67 1cdb n GLY 66 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cdb s THR 67 N 0.00 0.06 0.15 2.61 2.01 -1.26 -4.65 115.64 114.56 1cdb s THR 67 Ca 0.00 -1.13 0.09 0.00 0.31 0.00 0.00 61.69 60.97 1cdb s THR 67 Cb 0.00 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 1cdb s THR 67 CO 0.00 -0.28 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.22 1cdb s LEU 68 N -2.92 2.39 -0.03 4.42 0.20 -0.48 -0.37 118.68 121.89 1cdb s LEU 68 Ca 0.13 -0.81 0.00 0.00 0.69 0.00 0.00 54.13 54.14 1cdb s LEU 68 Cb 0.02 -0.95 0.03 0.00 -0.43 0.00 0.00 46.19 44.85 1cdb s LEU 68 CO -0.03 0.04 -0.00 -0.54 -0.29 0.00 0.00 176.35 175.53 1cdb s LYS 69 N -2.48 0.39 -0.35 1.98 -0.14 -0.76 -1.84 119.74 116.54 1cdb s LYS 69 Ca 0.14 0.06 0.01 0.00 -1.36 0.00 0.00 55.97 54.82 1cdb s LYS 69 Cb -0.08 -0.56 0.11 0.00 -1.68 0.00 0.00 37.83 35.62 1cdb s LYS 69 CO 0.07 -0.14 0.13 0.42 -0.76 0.00 0.00 175.35 175.07 1cdb s ILE 70 N 1.08 1.19 -0.35 2.17 1.01 -0.73 -2.24 121.20 123.34 1cdb s ILE 70 Ca -0.09 -1.85 -0.08 0.00 0.00 0.00 0.00 60.65 58.63 1cdb s ILE 70 Cb -0.14 -1.88 0.03 0.00 0.01 0.00 0.00 42.46 40.49 1cdb s ILE 70 CO -0.02 -0.73 0.14 -0.54 0.00 0.00 0.00 174.94 173.79 1cdb s LYS 71 N 1.16 2.76 -1.19 2.79 1.02 -0.70 -2.27 119.74 123.32 1cdb s LYS 71 Ca 0.12 -1.10 -0.05 0.00 0.02 0.00 0.00 55.97 54.97 1cdb s LYS 71 Cb -0.20 -3.55 0.01 0.00 -0.52 0.00 0.00 37.83 33.57 1cdb s LYS 71 CO -0.16 -0.65 1.02 -2.39 -0.92 0.00 0.00 175.35 172.26 1cdb n HIS 72 N 4.89 -2.40 -1.93 3.18 1.44 -0.71 -4.74 115.22 114.95 1cdb n HIS 72 Ca -0.12 0.90 0.00 0.00 -2.01 0.00 0.00 57.72 56.49 1cdb n HIS 72 Cb 0.46 -4.75 0.00 0.00 0.12 0.00 0.00 29.99 25.81 1cdb n HIS 72 CO 0.00 0.00 0.00 1.47 -2.81 0.00 0.00 176.34 175.00 1cdb n LEU 73 N -4.33 0.00 0.00 2.39 -0.00 -0.95 -4.01 117.00 110.10 1cdb n LEU 73 Ca -0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 55.90 1cdb n LEU 73 Cb 0.59 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 44.03 1cdb n LEU 73 CO 0.58 0.00 0.02 2.29 -0.00 0.00 0.00 177.39 180.28 1cdb n LYS 74 N 0.00 -1.64 0.15 1.47 2.85 -1.26 -3.09 118.16 116.63 1cdb n LYS 74 Ca 0.00 -0.07 -0.14 0.00 -1.05 0.00 0.00 58.31 57.05 1cdb n LYS 74 Cb 0.00 -0.08 -0.08 0.00 -0.65 0.00 0.00 35.03 34.22 1cdb n LYS 74 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1cdb h THR 75 N -1.83 0.79 0.00 0.58 2.02 -1.95 -3.12 112.91 109.40 1cdb h THR 75 Ca -0.02 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1cdb h THR 75 Cb 0.06 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1cdb h THR 75 CO 0.01 0.02 0.00 0.47 0.37 0.00 0.00 175.52 176.40 1cdb n ASP 76 N -5.20 0.00 -0.12 4.18 8.00 -1.26 -2.50 116.55 119.65 1cdb n ASP 76 Ca -0.09 0.20 -0.07 0.00 0.71 0.00 0.00 54.79 55.53 1cdb n ASP 76 Cb 0.16 -0.38 0.01 0.00 -0.02 0.00 0.00 41.12 40.89 1cdb n ASP 76 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1cdb h ASP 77 N 0.00 0.37 -3.85 -2.24 3.58 -1.85 -3.47 116.42 108.96 1cdb h ASP 77 Ca 0.00 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 56.97 1cdb h ASP 77 Cb 0.28 -0.08 -0.31 0.00 1.72 0.00 0.00 39.33 40.94 1cdb h ASP 77 CO 0.00 0.27 -0.81 0.00 -2.88 0.00 0.00 179.24 175.82 1cdb s GLN 78 N -6.16 1.27 0.28 0.28 -2.07 -1.04 -4.88 119.66 107.34 1cdb s GLN 78 Ca -0.13 -0.42 0.03 0.00 -1.82 0.00 0.00 55.36 53.02 1cdb s GLN 78 Cb 0.11 -1.15 -0.01 0.00 -1.09 0.00 0.00 33.01 30.87 1cdb s GLN 78 CO 0.72 0.16 0.30 -0.25 -1.32 0.00 0.00 175.29 174.90 1cdb n ASP 79 N 3.24 -0.80 -4.77 12.60 8.00 -1.26 -4.86 116.55 128.70 1cdb n ASP 79 Ca -0.18 -2.72 -0.40 0.00 0.71 0.00 0.00 54.79 52.20 1cdb n ASP 79 Cb 0.54 1.67 -0.03 0.00 -0.02 0.00 0.00 41.12 43.28 1cdb n ASP 79 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1cdb s ILE 80 N -2.97 3.09 0.23 0.53 -1.09 -1.26 -1.81 121.20 117.92 1cdb s ILE 80 Ca 0.30 1.06 0.01 0.00 -2.23 0.00 0.00 60.65 59.79 1cdb s ILE 80 Cb 0.01 -3.66 -0.05 0.00 -1.58 0.00 0.00 42.46 37.18 1cdb s ILE 80 CO 0.21 0.23 0.09 -0.31 -1.23 0.00 0.00 174.94 173.92 1cdb s TYR 81 N -1.20 1.40 -0.12 3.97 2.02 -0.96 -4.35 117.35 118.11 1cdb s TYR 81 Ca 0.49 -1.19 -0.10 0.00 -0.37 0.00 0.00 57.07 55.90 1cdb s TYR 81 Cb -0.35 -0.79 0.04 0.00 -0.40 0.00 0.00 41.96 40.45 1cdb s TYR 81 CO 0.46 -0.37 0.31 -1.59 -1.57 0.00 0.00 175.55 172.79 1cdb s LYS 82 N -4.04 0.34 0.00 -0.62 -2.85 -0.11 -1.80 119.74 110.66 1cdb s LYS 82 Ca 0.35 0.49 -0.07 0.00 -1.00 0.00 0.00 55.97 55.75 1cdb s LYS 82 Cb 0.07 0.10 -0.05 0.00 -2.06 0.00 0.00 37.83 35.90 1cdb s LYS 82 CO 0.11 -0.08 0.26 0.54 0.10 0.00 0.00 175.35 176.29 1cdb s VAL 83 N 0.49 5.31 0.06 1.79 0.11 -0.51 -1.97 120.40 125.68 1cdb s VAL 83 Ca -0.03 0.17 0.03 0.00 -2.93 0.00 0.00 61.98 59.22 1cdb s VAL 83 Cb -0.04 -3.56 -0.03 0.00 -1.53 0.00 0.00 36.38 31.22 1cdb s VAL 83 CO -0.03 0.38 -0.09 -0.44 -3.33 0.00 0.00 175.10 171.60 1cdb s SER 84 N -1.66 1.06 -0.11 3.54 0.01 -0.94 -2.55 113.70 113.04 1cdb s SER 84 Ca 0.27 -0.67 0.03 0.00 1.31 0.00 0.00 55.95 56.89 1cdb s SER 84 Cb -0.13 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1cdb s SER 84 CO 0.15 -0.24 -0.23 -0.63 0.41 0.00 0.00 173.24 172.71 1cdb s ILE 85 N -1.88 1.99 0.12 1.44 1.01 -0.89 -1.59 121.20 121.39 1cdb s ILE 85 Ca -0.04 -0.97 0.10 0.00 0.00 0.00 0.00 60.65 59.74 1cdb s ILE 85 Cb -0.07 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 1cdb s ILE 85 CO -0.00 0.54 -0.22 -0.31 0.00 0.00 0.00 174.94 174.95 1cdb s TYR 86 N 0.50 2.44 0.00 3.97 1.51 -0.97 -1.54 117.35 123.26 1cdb s TYR 86 Ca -0.15 -0.32 0.00 0.00 -1.01 0.00 0.00 57.07 55.59 1cdb s TYR 86 Cb -0.17 -1.31 0.00 0.00 -0.11 0.00 0.00 41.96 40.37 1cdb s TYR 86 CO 0.05 0.35 0.00 -0.25 -1.11 0.00 0.00 175.55 174.60 1cdb n ASP 87 N 0.90 0.00 -0.19 2.29 8.00 -1.22 -1.54 116.55 124.79 1cdb n ASP 87 Ca -0.17 -0.76 -0.06 0.00 0.71 0.00 0.00 54.79 54.52 1cdb n ASP 87 Cb 0.53 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.66 1cdb n ASP 87 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1cdb h THR 88 N -0.69 1.11 -0.33 -3.53 1.35 -1.89 -2.97 112.91 105.96 1cdb h THR 88 Ca 0.00 -0.25 -0.10 0.00 -0.55 0.00 0.00 66.41 65.52 1cdb h THR 88 Cb 0.00 0.33 -0.02 0.00 -1.73 0.00 0.00 68.15 66.73 1cdb h THR 88 CO 0.00 0.13 -0.20 0.50 -0.25 0.00 0.00 175.52 175.71 1cdb h LYS 89 N 0.72 0.61 0.00 4.72 3.64 -1.94 -3.48 116.57 120.84 1cdb h LYS 89 Ca 0.21 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1cdb h LYS 89 Cb -0.04 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1cdb h LYS 89 CO -0.07 0.77 0.00 0.41 -2.27 0.00 0.00 179.45 178.29 1cdb n GLY 90 N -0.40 0.84 2.87 5.01 0.00 -1.12 -5.15 105.19 107.25 1cdb n GLY 90 Ca 0.00 -0.76 -0.18 0.00 0.00 0.00 0.00 46.02 45.09 1cdb n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cdb s LYS 91 N -1.98 0.53 -0.16 1.61 1.02 -1.26 -4.81 119.74 114.70 1cdb s LYS 91 Ca 0.00 -0.05 -0.29 0.00 0.02 0.00 0.00 55.97 55.65 1cdb s LYS 91 Cb 0.00 -0.61 -0.05 0.00 -0.52 0.00 0.00 37.83 36.66 1cdb s LYS 91 CO 0.00 -0.07 1.84 1.21 -0.92 0.00 0.00 175.35 177.41 1cdb s ASN 92 N 0.76 6.17 0.00 2.83 3.04 -1.26 -3.43 114.94 123.04 1cdb s ASN 92 Ca -0.09 1.92 0.00 0.00 0.04 0.00 0.00 52.86 54.73 1cdb s ASN 92 Cb -0.12 -2.53 0.00 0.00 -1.54 0.00 0.00 41.25 37.06 1cdb s ASN 92 CO -0.01 -1.38 0.00 1.33 -3.04 0.00 0.00 177.10 174.00 1cdb n VAL 93 N 6.54 0.00 -2.79 -5.21 0.24 -0.59 -5.03 118.33 111.50 1cdb n VAL 93 Ca 0.22 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 62.13 1cdb n VAL 93 Cb 0.44 -0.75 -0.06 0.00 -1.47 0.00 0.00 33.84 32.00 1cdb n VAL 93 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1cdb s LEU 94 N -1.73 4.53 -0.15 1.34 1.02 -1.25 -4.95 118.68 117.48 1cdb s LEU 94 Ca 0.00 1.87 -0.06 0.00 0.02 0.00 0.00 54.13 55.96 1cdb s LEU 94 Cb 0.00 -3.73 0.07 0.00 0.02 0.00 0.00 46.19 42.55 1cdb s LEU 94 CO 0.00 0.08 0.33 -0.70 0.02 0.00 0.00 176.35 176.08 1cdb s GLU 95 N -1.50 0.23 0.17 1.70 2.12 -1.26 -2.10 118.70 118.06 1cdb s GLU 95 Ca 0.44 0.84 -0.02 0.00 0.36 0.00 0.00 54.97 56.59 1cdb s GLU 95 Cb -0.23 0.09 -0.04 0.00 0.26 0.00 0.00 34.13 34.21 1cdb s GLU 95 CO 0.28 -0.25 0.12 0.15 -0.54 0.00 0.00 175.26 175.02 1cdb s LYS 96 N 2.31 1.10 0.02 4.30 -0.14 -1.06 -5.03 119.74 121.24 1cdb s LYS 96 Ca -0.02 -1.52 0.06 0.00 -1.36 0.00 0.00 55.97 53.14 1cdb s LYS 96 Cb -0.12 0.27 -0.02 0.00 -1.68 0.00 0.00 37.83 36.29 1cdb s LYS 96 CO -0.10 -0.35 -0.18 0.42 -0.76 0.00 0.00 175.35 174.38 1cdb s ILE 97 N -4.10 1.43 0.10 2.17 1.01 -1.25 -1.43 121.20 119.13 1cdb s ILE 97 Ca 0.31 -0.95 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 1cdb s ILE 97 Cb 0.07 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.30 1cdb s ILE 97 CO 0.07 0.25 0.18 -0.36 0.00 0.00 0.00 174.94 175.08 1cdb s PHE 98 N -0.63 0.27 -0.28 3.97 0.40 -0.75 -2.00 117.98 118.97 1cdb s PHE 98 Ca 0.06 -0.70 -0.00 0.00 -0.60 0.00 0.00 56.93 55.69 1cdb s PHE 98 Cb -0.08 -0.12 0.17 0.00 0.51 0.00 0.00 43.02 43.51 1cdb s PHE 98 CO 0.01 -0.56 0.50 -0.51 0.70 0.00 0.00 175.22 175.36 1cdb s ASP 99 N -2.90 -0.63 -0.66 1.36 1.11 -1.15 -2.27 116.67 111.54 1cdb s ASP 99 Ca 0.08 0.37 -0.21 0.00 0.18 0.00 0.00 52.55 52.97 1cdb s ASP 99 Cb 0.05 1.65 0.09 0.00 1.07 0.00 0.00 42.92 45.78 1cdb s ASP 99 CO -0.08 -0.29 0.87 -0.76 1.18 0.00 0.00 175.17 176.08 1cdb s LEU 100 N 2.71 4.88 0.04 1.23 1.02 -0.75 -2.69 118.68 125.12 1cdb s LEU 100 Ca 0.15 -1.28 -0.03 0.00 0.02 0.00 0.00 54.13 52.99 1cdb s LEU 100 Cb -0.14 -2.37 -0.04 0.00 0.02 0.00 0.00 46.19 43.66 1cdb s LEU 100 CO -0.22 -1.27 0.24 -0.54 0.02 0.00 0.00 176.35 174.58 1cdb s LYS 101 N 3.34 3.49 -0.20 1.70 1.02 -0.95 -4.25 119.74 123.89 1cdb s LYS 101 Ca 0.19 -0.29 -0.07 0.00 0.02 0.00 0.00 55.97 55.82 1cdb s LYS 101 Cb -0.19 -3.04 -0.03 0.00 -0.52 0.00 0.00 37.83 34.05 1cdb s LYS 101 CO 0.07 0.62 0.05 0.42 -0.92 0.00 0.00 175.35 175.58 1cdb s ILE 102 N -1.44 4.46 0.34 2.17 -1.09 -1.26 -2.75 121.20 121.64 1cdb s ILE 102 Ca 0.32 -0.14 -0.28 0.00 -2.23 0.00 0.00 60.65 58.32 1cdb s ILE 102 Cb -0.13 -3.03 -0.10 0.00 -1.58 0.00 0.00 42.46 37.63 1cdb s ILE 102 CO 0.22 0.42 1.23 -1.10 -1.23 0.00 0.00 174.94 174.48 1cdb s GLN 103 N 0.83 4.33 -0.33 2.79 -0.21 -1.25 -4.95 119.66 120.87 1cdb s GLN 103 Ca 0.03 2.03 0.02 0.00 0.02 0.00 0.00 55.36 57.46 1cdb s GLN 103 Cb -0.14 -2.99 0.16 0.00 1.00 0.00 0.00 33.01 31.04 1cdb s GLN 103 CO 0.02 -0.14 0.39 -1.83 -2.12 0.00 0.00 175.29 171.61 1cdb s GLU 104 N -1.85 0.51 0.00 2.91 -1.05 -1.26 -4.73 118.70 113.23 1cdb s GLU 104 Ca 0.50 -0.31 0.26 0.00 -0.15 0.00 0.00 54.97 55.27 1cdb s GLU 104 Cb -0.36 -0.49 0.60 0.00 -0.44 0.00 0.00 34.13 33.45 1cdb s GLU 104 CO 0.47 -1.10 1.49 -2.13 0.95 0.00 0.00 175.26 174.93