#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cbj n THR 2 N 0.00 0.03 -3.93 0.00 -1.04 -1.26 -4.60 114.28 103.48 1cbj n THR 2 Ca 0.00 -0.28 -0.10 0.00 -2.04 0.00 0.00 64.05 61.63 1cbj n THR 2 Cb 0.00 0.19 -0.12 0.00 -1.82 0.00 0.00 70.33 68.58 1cbj n THR 2 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1cbj s LYS 3 N -2.81 0.20 0.20 -2.82 1.02 -1.26 -0.88 119.74 113.39 1cbj s LYS 3 Ca -0.04 -0.36 -0.06 0.00 0.02 0.00 0.00 55.97 55.53 1cbj s LYS 3 Cb 0.07 0.07 -0.02 0.00 -0.52 0.00 0.00 37.83 37.43 1cbj s LYS 3 CO 0.50 -0.03 0.26 0.00 -0.92 0.00 0.00 175.35 175.15 1cbj s ALA 4 N -0.88 0.50 0.03 5.17 0.00 -0.49 -1.73 121.76 124.36 1cbj s ALA 4 Ca -0.10 -1.29 -0.13 0.00 0.00 0.00 0.00 51.96 50.44 1cbj s ALA 4 Cb -0.06 1.16 0.02 0.00 0.00 0.00 0.00 23.12 24.24 1cbj s ALA 4 CO -0.01 -0.68 0.28 0.54 0.00 0.00 0.00 175.76 175.90 1cbj s VAL 5 N -4.07 0.08 -0.06 0.00 0.11 -0.15 -1.12 120.40 115.19 1cbj s VAL 5 Ca 0.29 -0.68 -0.03 0.00 -2.93 0.00 0.00 61.98 58.63 1cbj s VAL 5 Cb 0.04 -0.87 0.03 0.00 -1.53 0.00 0.00 36.38 34.05 1cbj s VAL 5 CO 0.08 -0.38 0.13 0.00 -3.33 0.00 0.00 175.10 171.61 1cbj s VAL 7 N 0.93 4.05 -0.16 0.00 1.01 -1.26 -1.15 120.40 123.81 1cbj s VAL 7 Ca -0.07 -0.28 -0.18 0.00 0.00 0.00 0.00 61.98 61.45 1cbj s VAL 7 Cb -0.09 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 1cbj s VAL 7 CO -0.04 0.41 0.47 -0.76 0.00 0.00 0.00 175.10 175.18 1cbj s LEU 8 N 1.12 4.21 0.05 3.92 1.43 0.38 -4.00 118.68 125.78 1cbj s LEU 8 Ca 0.03 0.71 -0.01 0.00 -1.03 0.00 0.00 54.13 53.83 1cbj s LEU 8 Cb -0.14 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 1cbj s LEU 8 CO 0.02 -0.07 -0.03 -0.54 0.23 0.00 0.00 176.35 175.96 1cbj s LYS 9 N 1.08 0.59 0.00 1.70 3.01 -0.54 -2.18 119.74 123.39 1cbj s LYS 9 Ca 0.24 -1.17 0.00 0.00 -1.01 0.00 0.00 55.97 54.03 1cbj s LYS 9 Cb -0.15 0.20 0.00 0.00 -1.01 0.00 0.00 37.83 36.86 1cbj s LYS 9 CO 0.09 -0.10 0.00 0.41 0.51 0.00 0.00 175.35 176.26 1cbj n GLY 10 N 0.23 2.92 0.09 -3.33 0.00 -1.25 -1.38 105.19 102.46 1cbj n GLY 10 Ca -0.15 -1.07 0.12 0.00 0.00 0.00 0.00 46.02 44.92 1cbj n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cbj n ASP 11 N -0.90 0.77 0.00 1.61 8.00 -1.26 -4.88 116.55 119.89 1cbj n ASP 11 Ca 0.00 0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.85 1cbj n ASP 11 Cb 0.00 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 1cbj n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cbj n GLY 12 N 1.32 2.19 0.20 0.44 0.00 -1.26 -5.02 105.19 103.05 1cbj n GLY 12 Ca 0.04 -1.99 0.14 0.00 0.00 0.00 0.00 46.02 44.21 1cbj n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cbj n PRO 13 N 0.00 0.84 -2.38 1.61 -0.04 -1.26 -4.92 135.00 128.85 1cbj n PRO 13 Ca 0.00 -0.40 -0.42 0.00 -0.04 0.00 0.00 63.50 62.64 1cbj n PRO 13 Cb 0.00 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 1cbj n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1cbj s VAL 14 N -2.44 3.77 0.17 0.52 1.01 -1.26 -4.53 120.40 117.64 1cbj s VAL 14 Ca 0.28 1.36 -0.13 0.00 0.00 0.00 0.00 61.98 63.49 1cbj s VAL 14 Cb 0.20 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.72 1cbj s VAL 14 CO 0.48 0.16 0.40 0.00 0.00 0.00 0.00 175.10 176.13 1cbj s GLN 15 N 0.47 1.23 -0.11 2.72 -2.07 -0.88 -3.92 119.66 117.10 1cbj s GLN 15 Ca 0.56 -0.98 -0.33 0.00 -1.82 0.00 0.00 55.36 52.79 1cbj s GLN 15 Cb -0.31 0.45 0.14 0.00 -1.09 0.00 0.00 33.01 32.20 1cbj s GLN 15 CO 0.33 -0.49 1.40 0.20 -1.32 0.00 0.00 175.29 175.41 1cbj s GLY 16 N -2.90 -0.45 -0.08 2.60 0.00 -0.93 -0.57 107.32 105.00 1cbj s GLY 16 Ca 0.11 1.05 0.01 0.00 0.00 0.00 0.00 44.72 45.89 1cbj s GLY 16 CO -0.03 0.23 -0.07 -1.59 0.00 0.00 0.00 173.10 171.64 1cbj s THR 17 N -2.11 0.86 -0.07 0.90 2.01 -0.69 -0.47 115.64 116.06 1cbj s THR 17 Ca 0.14 -0.25 0.04 0.00 0.31 0.00 0.00 61.69 61.93 1cbj s THR 17 Cb 0.06 -0.86 -0.01 0.00 0.01 0.00 0.00 72.50 71.70 1cbj s THR 17 CO -0.06 0.32 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.34 1cbj s ILE 18 N 1.23 2.35 0.11 1.82 -1.09 -0.30 -2.26 121.20 123.05 1cbj s ILE 18 Ca -0.05 -0.95 0.08 0.00 -2.23 0.00 0.00 60.65 57.50 1cbj s ILE 18 Cb -0.14 -1.89 -0.04 0.00 -1.58 0.00 0.00 42.46 38.81 1cbj s ILE 18 CO -0.02 0.56 -0.14 -1.00 -1.23 0.00 0.00 174.94 173.11 1cbj s HIS 19 N -0.08 2.64 -0.03 3.97 3.76 0.63 -0.85 115.29 125.33 1cbj s HIS 19 Ca -0.05 -0.21 0.03 0.00 -0.15 0.00 0.00 55.06 54.68 1cbj s HIS 19 Cb -0.14 -1.40 0.00 0.00 1.11 0.00 0.00 32.58 32.15 1cbj s HIS 19 CO 0.04 0.40 -0.10 -0.06 -0.85 0.00 0.00 174.74 174.18 1cbj s PHE 20 N -1.17 1.05 -0.03 1.40 0.40 -0.28 -1.24 117.98 118.11 1cbj s PHE 20 Ca 0.20 -0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.25 1cbj s PHE 20 Cb -0.11 -0.75 0.03 0.00 0.51 0.00 0.00 43.02 42.70 1cbj s PHE 20 CO 0.12 -0.12 0.00 -2.00 0.70 0.00 0.00 175.22 173.92 1cbj s GLU 21 N 0.23 0.27 0.10 0.44 2.12 0.06 -1.40 118.70 120.52 1cbj s GLU 21 Ca -0.04 0.08 -0.30 0.00 0.36 0.00 0.00 54.97 55.07 1cbj s GLU 21 Cb -0.09 -0.46 -0.06 0.00 0.26 0.00 0.00 34.13 33.77 1cbj s GLU 21 CO 0.01 -0.14 1.15 0.00 -0.54 0.00 0.00 175.26 175.74 1cbj s ALA 22 N 1.02 3.36 -0.17 6.30 0.00 -0.06 -0.53 121.76 131.68 1cbj s ALA 22 Ca -0.10 0.81 -0.04 0.00 0.00 0.00 0.00 51.96 52.63 1cbj s ALA 22 Cb -0.13 -3.40 0.07 0.00 0.00 0.00 0.00 23.12 19.65 1cbj s ALA 22 CO -0.02 -0.34 0.13 0.21 0.00 0.00 0.00 175.76 175.74 1cbj s LYS 23 N 0.53 0.09 7.01 0.00 2.20 -0.42 -4.95 119.74 124.20 1cbj s LYS 23 Ca 0.55 0.08 0.00 0.00 -0.36 0.00 0.00 55.97 56.23 1cbj s LYS 23 Cb -0.29 -1.46 0.00 0.00 -1.51 0.00 0.00 37.83 34.57 1cbj s LYS 23 CO 0.31 -0.62 0.00 0.41 -0.36 0.00 0.00 175.35 175.09 1cbj n GLY 24 N 5.30 2.65 1.98 5.54 0.00 -1.26 -1.22 105.19 118.17 1cbj n GLY 24 Ca -0.06 -0.32 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 1cbj n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cbj n ASP 25 N 4.63 3.83 -4.49 1.61 5.75 -1.26 -4.95 116.55 121.66 1cbj n ASP 25 Ca 0.00 -3.53 -0.24 0.00 -0.01 0.00 0.00 54.79 51.01 1cbj n ASP 25 Cb 0.00 -0.78 -0.11 0.00 -1.03 0.00 0.00 41.12 39.21 1cbj n ASP 25 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1cbj s THR 26 N -3.21 1.40 -0.09 2.12 -4.23 -0.36 -4.64 115.64 106.63 1cbj s THR 26 Ca 0.54 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.09 1cbj s THR 26 Cb 0.46 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 71.48 1cbj s THR 26 CO 0.10 0.00 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.27 1cbj s VAL 27 N -3.11 1.89 -0.24 2.29 1.01 -0.11 -1.30 120.40 120.82 1cbj s VAL 27 Ca 0.35 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 1cbj s VAL 27 Cb 0.09 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 1cbj s VAL 27 CO 0.16 0.52 0.25 -0.69 0.00 0.00 0.00 175.10 175.35 1cbj s VAL 28 N 0.36 5.29 -0.22 2.92 1.01 0.31 -1.25 120.40 128.82 1cbj s VAL 28 Ca -0.17 0.37 -0.03 0.00 0.00 0.00 0.00 61.98 62.15 1cbj s VAL 28 Cb -0.17 -3.59 -0.00 0.00 0.00 0.00 0.00 36.38 32.61 1cbj s VAL 28 CO 0.08 0.29 -0.06 -0.69 0.00 0.00 0.00 175.10 174.71 1cbj s VAL 29 N 1.33 3.19 0.26 2.92 1.01 0.66 -0.76 120.40 129.00 1cbj s VAL 29 Ca 0.12 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1cbj s VAL 29 Cb -0.14 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 1cbj s VAL 29 CO 0.07 0.43 0.03 0.42 0.00 0.00 0.00 175.10 176.04 1cbj s THR 30 N 1.45 0.99 -5.00 3.92 -4.23 -0.37 -1.24 115.64 111.16 1cbj s THR 30 Ca 0.06 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1cbj s THR 30 Cb -0.14 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.19 1cbj s THR 30 CO -0.05 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 1cbj n GLY 31 N -0.49 0.52 3.30 3.99 0.00 -1.06 -0.27 105.19 111.18 1cbj n GLY 31 Ca -0.03 -1.72 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 1cbj n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cbj s SER 32 N -4.00 -0.27 -0.03 1.61 1.04 -0.96 -0.96 113.70 110.13 1cbj s SER 32 Ca 0.00 0.13 0.03 0.00 0.48 0.00 0.00 55.95 56.60 1cbj s SER 32 Cb 0.00 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1cbj s SER 32 CO 0.00 -0.53 -0.13 -0.63 0.98 0.00 0.00 173.24 172.94 1cbj s ILE 33 N -1.65 1.07 0.35 -1.02 1.01 -0.40 -1.71 121.20 118.86 1cbj s ILE 33 Ca -0.11 -0.51 0.06 0.00 0.00 0.00 0.00 60.65 60.09 1cbj s ILE 33 Cb -0.03 -0.93 -0.07 0.00 0.01 0.00 0.00 42.46 41.43 1cbj s ILE 33 CO 0.03 0.32 -0.00 0.42 0.00 0.00 0.00 174.94 175.71 1cbj s THR 34 N 0.15 1.75 0.00 2.92 -4.23 0.27 -0.83 115.64 115.67 1cbj s THR 34 Ca -0.04 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 1cbj s THR 34 Cb -0.10 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 70.95 1cbj s THR 34 CO 0.01 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 1cbj n GLY 35 N -0.79 0.67 3.92 3.99 0.00 -0.88 -2.08 105.19 110.02 1cbj n GLY 35 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 1cbj n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cbj s LEU 36 N 0.00 3.64 0.27 0.99 1.43 -1.00 -4.41 118.68 119.59 1cbj s LEU 36 Ca 0.00 0.75 -0.26 0.00 -1.03 0.00 0.00 54.13 53.58 1cbj s LEU 36 Cb 0.00 -3.66 -0.09 0.00 0.03 0.00 0.00 46.19 42.47 1cbj s LEU 36 CO 0.00 -0.61 0.90 0.42 0.23 0.00 0.00 176.35 177.29 1cbj s THR 37 N -2.68 4.23 0.54 5.49 -4.23 -1.26 -3.98 115.64 113.73 1cbj s THR 37 Ca 0.47 1.83 -0.21 0.00 -1.18 0.00 0.00 61.69 62.61 1cbj s THR 37 Cb -0.10 -4.11 -0.07 0.00 1.34 0.00 0.00 72.50 69.56 1cbj s THR 37 CO 0.43 0.31 1.05 -1.84 -0.54 0.00 0.00 174.62 174.02 1cbj n GLU 38 N 1.00 1.19 0.00 3.99 0.28 -1.26 -4.61 120.64 121.23 1cbj n GLU 38 Ca -0.01 0.44 0.00 0.00 -0.16 0.00 0.00 57.16 57.44 1cbj n GLU 38 Cb 0.49 -2.21 0.00 0.00 1.43 0.00 0.00 31.44 31.15 1cbj n GLU 38 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1cbj n GLY 39 N 1.16 -0.21 3.81 -1.84 0.00 -0.37 -4.90 105.19 102.84 1cbj n GLY 39 Ca 0.12 -2.26 -0.36 0.00 0.00 0.00 0.00 46.02 43.52 1cbj n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cbj s ASP 40 N -3.63 7.09 -0.03 1.61 1.11 -1.26 -0.45 116.67 121.11 1cbj s ASP 40 Ca 0.00 1.52 0.00 0.00 0.18 0.00 0.00 52.55 54.25 1cbj s ASP 40 Cb 0.00 -2.46 0.03 0.00 1.07 0.00 0.00 42.92 41.56 1cbj s ASP 40 CO 0.00 -0.04 0.01 -1.00 1.18 0.00 0.00 175.17 175.31 1cbj s HIS 41 N -1.64 0.27 0.50 4.23 3.76 0.11 -3.09 115.29 119.43 1cbj s HIS 41 Ca 0.47 0.03 -0.23 0.00 -0.15 0.00 0.00 55.06 55.18 1cbj s HIS 41 Cb -0.16 -0.40 -0.07 0.00 1.11 0.00 0.00 32.58 33.07 1cbj s HIS 41 CO 0.21 -0.13 1.35 0.41 -0.85 0.00 0.00 174.74 175.73 1cbj n GLY 42 N 4.24 0.77 2.73 -2.22 0.00 -0.70 -0.75 105.19 109.25 1cbj n GLY 42 Ca -0.25 0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 1cbj n GLY 42 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1cbj s PHE 43 N -1.26 -0.22 0.06 1.61 5.36 -0.20 -0.67 117.98 122.66 1cbj s PHE 43 Ca 0.67 0.09 -0.01 0.00 -0.96 0.00 0.00 56.93 56.73 1cbj s PHE 43 Cb -0.44 -0.42 -0.04 0.00 -0.34 0.00 0.00 43.02 41.78 1cbj s PHE 43 CO 0.53 -0.63 -0.02 -1.01 -1.46 0.00 0.00 175.22 172.63 1cbj s HIS 44 N 2.30 0.59 -0.21 10.12 3.76 -0.76 -2.56 115.29 128.53 1cbj s HIS 44 Ca 0.07 -1.08 -0.18 0.00 -0.15 0.00 0.00 55.06 53.72 1cbj s HIS 44 Cb -0.16 -0.41 -0.03 0.00 1.11 0.00 0.00 32.58 33.09 1cbj s HIS 44 CO -0.14 -0.38 0.50 0.08 -0.85 0.00 0.00 174.74 173.95 1cbj s VAL 45 N -3.92 5.11 0.34 -0.90 1.01 -0.11 -1.17 120.40 120.77 1cbj s VAL 45 Ca 0.09 0.91 0.02 0.00 0.00 0.00 0.00 61.98 63.00 1cbj s VAL 45 Cb 0.08 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 1cbj s VAL 45 CO -0.08 0.18 0.52 -1.00 0.00 0.00 0.00 175.10 174.72 1cbj s HIS 46 N 1.68 3.39 0.08 5.22 3.76 0.70 -1.12 115.29 129.00 1cbj s HIS 46 Ca 0.23 0.19 -0.21 0.00 -0.15 0.00 0.00 55.06 55.12 1cbj s HIS 46 Cb -0.15 -1.92 -0.11 0.00 1.11 0.00 0.00 32.58 31.51 1cbj s HIS 46 CO 0.09 0.08 1.59 0.37 -0.85 0.00 0.00 174.74 176.03 1cbj h GLN 47 N 0.79 0.24 -6.28 1.40 4.15 -0.81 -2.90 115.11 111.69 1cbj h GLN 47 Ca -0.49 -0.05 -0.65 0.00 0.77 0.00 0.00 58.65 58.23 1cbj h GLN 47 Cb 1.23 -0.04 -0.11 0.00 0.21 0.00 0.00 27.48 28.77 1cbj h GLN 47 CO 0.60 0.36 -0.64 -0.06 -1.93 0.00 0.00 178.83 177.15 1cbj s PHE 48 N -5.42 3.06 -0.68 3.99 0.08 0.09 -4.69 117.98 114.40 1cbj s PHE 48 Ca -0.14 0.02 -0.02 0.00 0.12 0.00 0.00 56.93 56.90 1cbj s PHE 48 Cb 0.06 -1.58 0.27 0.00 -0.57 0.00 0.00 43.02 41.21 1cbj s PHE 48 CO 0.70 0.49 2.24 0.41 -0.10 0.00 0.00 175.22 178.96 1cbj n GLY 49 N 0.63 5.15 3.21 4.36 0.00 -1.09 -3.73 105.19 113.72 1cbj n GLY 49 Ca -0.11 -2.21 -0.35 0.00 0.00 0.00 0.00 46.02 43.35 1cbj n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cbj s ASP 50 N -0.70 4.81 -0.28 1.61 -1.08 -1.26 -4.95 116.67 114.82 1cbj s ASP 50 Ca 0.54 -1.10 0.11 0.00 -0.52 0.00 0.00 52.55 51.59 1cbj s ASP 50 Cb 0.42 -1.73 0.59 0.00 -1.46 0.00 0.00 42.92 40.74 1cbj s ASP 50 CO -0.28 -0.23 1.57 -3.20 0.52 0.00 0.00 175.17 173.55 1cbj n ASN 51 N 4.68 3.63 0.08 -0.34 5.15 -1.26 -3.13 115.26 124.07 1cbj n ASN 51 Ca -0.14 -3.38 -0.00 0.00 -0.60 0.00 0.00 54.58 50.46 1cbj n ASN 51 Cb 0.45 -0.65 0.29 0.00 -0.53 0.00 0.00 39.78 39.34 1cbj n ASN 51 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1cbj h THR 52 N 1.67 1.24 -1.36 -0.44 1.35 -1.93 -2.88 112.91 110.56 1cbj h THR 52 Ca 0.19 -1.11 -0.62 0.00 -0.55 0.00 0.00 66.41 64.32 1cbj h THR 52 Cb 1.86 1.36 -0.38 0.00 -1.73 0.00 0.00 68.15 69.26 1cbj h THR 52 CO 0.48 0.34 -0.29 0.00 -0.25 0.00 0.00 175.52 175.81 1cbj n GLN 53 N -4.16 3.29 0.00 4.72 6.02 -1.26 -5.06 117.38 120.93 1cbj n GLN 53 Ca -0.01 -4.14 0.00 0.00 -0.01 0.00 0.00 57.00 52.84 1cbj n GLN 53 Cb 0.36 -2.26 0.00 0.00 1.02 0.00 0.00 30.24 29.35 1cbj n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1cbj n GLY 54 N -0.59 2.41 0.08 1.08 0.00 -1.09 -2.57 105.19 104.52 1cbj n GLY 54 Ca 0.45 -0.49 0.13 0.00 0.00 0.00 0.00 46.02 46.11 1cbj n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cbj h THR 56 N 0.00 1.21 0.00 0.00 2.02 -1.84 -2.58 112.91 111.73 1cbj h THR 56 Ca 0.00 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.27 1cbj h THR 56 Cb 0.69 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1cbj h THR 56 CO 0.00 0.30 0.00 -1.54 0.37 0.00 0.00 175.52 174.65 1cbj n SER 57 N -4.24 0.00 0.08 4.18 3.41 -1.25 -2.97 113.62 112.83 1cbj n SER 57 Ca 0.01 -0.70 0.10 0.00 -0.26 0.00 0.00 58.87 58.02 1cbj n SER 57 Cb 0.29 -0.07 0.43 0.00 -0.26 0.00 0.00 64.21 64.60 1cbj n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cbj n ALA 58 N -1.07 1.75 -0.13 7.33 0.00 -0.97 -4.45 120.51 122.96 1cbj n ALA 58 Ca 0.19 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1cbj n ALA 58 Cb 0.12 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1cbj n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cbj n GLY 59 N 0.19 -1.71 2.90 0.00 0.00 -1.16 -0.73 105.19 104.68 1cbj n GLY 59 Ca 0.03 -1.33 -0.22 0.00 0.00 0.00 0.00 46.02 44.50 1cbj n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cbj n PRO 60 N -0.18 -0.86 -2.03 1.61 -0.04 -1.26 -4.62 135.00 127.61 1cbj n PRO 60 Ca 0.00 -1.60 -0.38 0.00 -0.04 0.00 0.00 63.50 61.47 1cbj n PRO 60 Cb 0.00 -0.97 0.01 0.00 -0.04 0.00 0.00 33.50 32.49 1cbj n PRO 60 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1cbj s HIS 61 N -3.09 2.68 0.01 0.54 3.76 -1.26 -0.76 115.29 117.18 1cbj s HIS 61 Ca 0.56 1.43 -0.30 0.00 -0.15 0.00 0.00 55.06 56.60 1cbj s HIS 61 Cb -0.02 -3.63 -0.08 0.00 1.11 0.00 0.00 32.58 29.96 1cbj s HIS 61 CO 0.39 -2.17 1.89 0.12 -0.85 0.00 0.00 174.74 174.13 1cbj s PHE 62 N -1.35 1.45 -0.42 1.40 5.36 -0.28 -4.52 117.98 119.63 1cbj s PHE 62 Ca 0.63 -0.30 0.07 0.00 -0.96 0.00 0.00 56.93 56.37 1cbj s PHE 62 Cb -0.36 -4.17 0.25 0.00 -0.34 0.00 0.00 43.02 38.40 1cbj s PHE 62 CO 0.45 -5.16 0.64 -1.71 -1.46 0.00 0.00 175.22 167.98 1cbj n ASN 63 N 7.44 -0.80 0.21 6.13 5.15 -1.26 -1.08 115.26 131.04 1cbj n ASN 63 Ca 0.19 -2.90 0.15 0.00 -0.60 0.00 0.00 54.58 51.42 1cbj n ASN 63 Cb 0.41 0.16 0.60 0.00 -0.53 0.00 0.00 39.78 40.42 1cbj n ASN 63 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1cbj h PRO 64 N 3.97 0.00 -0.55 1.20 0.13 -1.97 -2.54 132.00 132.24 1cbj h PRO 64 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1cbj h PRO 64 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1cbj h PRO 64 CO 0.42 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.47 1cbj n LEU 65 N -2.67 3.59 -3.70 1.56 4.77 -1.26 -5.00 117.00 114.29 1cbj n LEU 65 Ca 0.01 -1.83 -0.31 0.00 -0.03 0.00 0.00 56.01 53.85 1cbj n LEU 65 Cb 0.26 -0.37 0.04 0.00 -2.33 0.00 0.00 43.42 41.03 1cbj n LEU 65 CO 0.23 0.86 -0.09 -1.20 -1.33 0.00 0.00 177.39 175.87 1cbj n SER 66 N 1.39 -4.75 -4.81 -1.43 7.64 -0.96 -5.00 113.62 105.70 1cbj n SER 66 Ca 0.20 -1.01 -0.23 0.00 1.01 0.00 0.00 58.87 58.84 1cbj n SER 66 Cb 0.57 -3.38 -0.05 0.00 -1.01 0.00 0.00 64.21 60.35 1cbj n SER 66 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1cbj s LYS 67 N -6.03 2.35 0.67 1.43 1.02 -1.26 -5.13 119.74 112.79 1cbj s LYS 67 Ca 0.42 -1.75 -0.08 0.00 0.02 0.00 0.00 55.97 54.58 1cbj s LYS 67 Cb -0.15 -2.15 0.03 0.00 -0.52 0.00 0.00 37.83 35.04 1cbj s LYS 67 CO 0.86 -0.20 1.01 0.15 -0.92 0.00 0.00 175.35 176.25 1cbj s LYS 68 N -4.03 2.62 0.41 1.68 1.02 -1.26 -4.75 119.74 115.43 1cbj s LYS 68 Ca 0.43 0.06 -0.25 0.00 0.02 0.00 0.00 55.97 56.23 1cbj s LYS 68 Cb 0.00 -2.15 -0.08 0.00 -0.52 0.00 0.00 37.83 35.08 1cbj s LYS 68 CO 0.24 -1.01 1.21 -1.58 -0.92 0.00 0.00 175.35 173.28 1cbj s HIS 69 N -3.21 2.98 0.00 3.18 5.65 -0.12 -3.28 115.29 120.48 1cbj s HIS 69 Ca 0.57 1.51 0.00 0.00 0.25 0.00 0.00 55.06 57.40 1cbj s HIS 69 Cb -0.11 -3.47 0.00 0.00 -1.18 0.00 0.00 32.58 27.82 1cbj s HIS 69 CO 0.47 -1.56 0.00 0.41 -0.65 0.00 0.00 174.74 173.41 1cbj n GLY 70 N 0.64 2.57 3.99 1.59 0.00 -1.24 -4.41 105.19 108.32 1cbj n GLY 70 Ca 0.04 -1.18 -0.20 0.00 0.00 0.00 0.00 46.02 44.69 1cbj n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cbj s GLY 71 N -0.97 1.87 0.53 -0.02 0.00 -1.21 -4.68 107.32 102.85 1cbj s GLY 71 Ca 0.00 -1.49 0.19 0.00 0.00 0.00 0.00 44.72 43.42 1cbj s GLY 71 CO 0.00 -1.24 2.15 -0.56 0.00 0.00 0.00 173.10 173.45 1cbj h PRO 72 N 0.27 0.00 -0.01 2.90 0.13 -1.88 -2.14 132.00 131.27 1cbj h PRO 72 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1cbj h PRO 72 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1cbj h PRO 72 CO 0.49 0.00 -0.10 1.63 -0.23 0.00 0.00 178.00 179.79 1cbj n LYS 73 N -4.39 1.40 -2.74 0.86 5.02 -1.26 -4.92 118.16 112.13 1cbj n LYS 73 Ca -0.02 -0.85 -0.32 0.00 -2.02 0.00 0.00 58.31 55.11 1cbj n LYS 73 Cb 0.15 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 1cbj n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1cbj s ASP 74 N -2.18 6.76 0.08 4.39 1.01 -0.81 -4.98 116.67 120.93 1cbj s ASP 74 Ca 0.33 1.51 -0.14 0.00 0.71 0.00 0.00 52.55 54.95 1cbj s ASP 74 Cb 0.20 -2.47 -0.20 0.00 1.01 0.00 0.00 42.92 41.46 1cbj s ASP 74 CO 0.40 -0.41 1.23 -0.08 0.21 0.00 0.00 175.17 176.52 1cbj h GLU 75 N 1.57 0.70 -4.62 8.23 4.81 -1.91 -3.39 114.58 119.97 1cbj h GLU 75 Ca -0.48 -0.66 -0.71 0.00 -0.13 0.00 0.00 59.36 57.38 1cbj h GLU 75 Cb 1.18 0.17 -0.20 0.00 0.63 0.00 0.00 28.75 30.53 1cbj h GLU 75 CO 0.62 1.26 0.21 -2.00 -0.73 0.00 0.00 179.01 178.37 1cbj s GLU 76 N -3.51 3.18 0.18 1.92 2.56 -1.26 -4.97 118.70 116.81 1cbj s GLU 76 Ca -0.11 -1.52 -0.15 0.00 0.00 0.00 0.00 54.97 53.19 1cbj s GLU 76 Cb 0.07 -4.37 0.02 0.00 2.00 0.00 0.00 34.13 31.85 1cbj s GLU 76 CO 0.90 -1.54 0.45 -0.98 -0.56 0.00 0.00 175.26 173.53 1cbj s ARG 77 N 2.38 1.30 0.43 4.30 1.70 -1.21 -3.73 118.95 124.12 1cbj s ARG 77 Ca 0.15 -0.95 -0.14 0.00 -0.47 0.00 0.00 55.73 54.32 1cbj s ARG 77 Cb -0.20 0.48 -0.08 0.00 -0.57 0.00 0.00 34.95 34.58 1cbj s ARG 77 CO 0.02 -0.53 0.86 -1.01 -1.08 0.00 0.00 175.30 173.56 1cbj s HIS 78 N -3.90 3.43 0.29 5.89 3.76 -1.21 -4.70 115.29 118.85 1cbj s HIS 78 Ca 0.11 1.28 -0.01 0.00 -0.15 0.00 0.00 55.06 56.29 1cbj s HIS 78 Cb 0.00 -2.62 0.46 0.00 1.11 0.00 0.00 32.58 31.53 1cbj s HIS 78 CO -0.02 -0.17 1.92 0.28 -0.85 0.00 0.00 174.74 175.90 1cbj h VAL 79 N 1.26 1.13 0.00 -0.90 2.07 -1.82 -2.04 116.25 115.94 1cbj h VAL 79 Ca -0.47 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1cbj h VAL 79 Cb 1.18 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1cbj h VAL 79 CO 0.63 0.20 0.00 0.61 0.02 0.00 0.00 177.57 179.03 1cbj n GLY 80 N -1.39 -0.70 3.56 2.17 0.00 -0.24 -4.50 105.19 104.09 1cbj n GLY 80 Ca 0.13 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1cbj n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cbj s ASP 81 N -2.32 6.20 -0.08 1.61 1.01 -0.77 -0.93 116.67 121.39 1cbj s ASP 81 Ca 0.20 -0.31 0.17 0.00 0.71 0.00 0.00 52.55 53.32 1cbj s ASP 81 Cb 0.11 -2.56 0.57 0.00 1.01 0.00 0.00 42.92 42.06 1cbj s ASP 81 CO 0.23 -1.78 1.49 0.18 0.21 0.00 0.00 175.17 175.49 1cbj n LEU 82 N 9.28 4.04 0.00 1.23 4.77 -1.06 -3.76 117.00 131.49 1cbj n LEU 82 Ca 0.05 -2.35 0.00 0.00 -0.03 0.00 0.00 56.01 53.68 1cbj n LEU 82 Cb 0.49 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1cbj n LEU 82 CO 0.71 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 178.18 1cbj n GLY 83 N 0.80 0.91 3.35 -0.72 0.00 -1.22 -4.82 105.19 103.49 1cbj n GLY 83 Ca 0.21 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 1cbj n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cbj s ASN 84 N -4.00 2.92 0.17 1.61 0.01 -1.26 -1.04 114.94 113.35 1cbj s ASN 84 Ca 0.00 -0.77 0.07 0.00 -0.71 0.00 0.00 52.86 51.45 1cbj s ASN 84 Cb 0.00 -0.18 -0.04 0.00 0.41 0.00 0.00 41.25 41.44 1cbj s ASN 84 CO 0.00 0.08 -0.00 0.68 -1.51 0.00 0.00 177.10 176.35 1cbj s VAL 85 N -1.42 3.75 -0.20 1.60 -7.23 0.07 -4.89 120.40 112.08 1cbj s VAL 85 Ca 0.13 -1.38 0.01 0.00 -1.81 0.00 0.00 61.98 58.93 1cbj s VAL 85 Cb -0.09 -2.87 0.02 0.00 0.56 0.00 0.00 36.38 34.00 1cbj s VAL 85 CO 0.06 -0.09 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.72 1cbj s THR 86 N -1.68 2.27 0.17 5.32 2.01 -1.26 0.04 115.64 122.51 1cbj s THR 86 Ca 0.27 -1.01 -0.14 0.00 0.31 0.00 0.00 61.69 61.12 1cbj s THR 86 Cb -0.10 -2.04 -0.07 0.00 0.01 0.00 0.00 72.50 70.31 1cbj s THR 86 CO 0.18 0.41 0.57 0.00 -0.69 0.00 0.00 174.62 175.10 1cbj s ALA 87 N 1.28 3.55 0.63 7.40 0.00 0.40 -4.21 121.76 130.81 1cbj s ALA 87 Ca 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 51.96 51.86 1cbj s ALA 87 Cb -0.14 -2.55 0.04 0.00 0.00 0.00 0.00 23.12 20.46 1cbj s ALA 87 CO -0.10 0.44 0.24 -0.40 0.00 0.00 0.00 175.76 175.95 1cbj n ASP 88 N 0.62 0.21 0.29 0.00 5.68 -0.69 -1.24 116.55 121.43 1cbj n ASP 88 Ca -0.04 -1.20 0.16 0.00 -0.50 0.00 0.00 54.79 53.20 1cbj n ASP 88 Cb 0.52 -0.17 0.90 0.00 -1.14 0.00 0.00 41.12 41.23 1cbj n ASP 88 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1cbj h LYS 89 N 0.00 0.00 -0.32 0.11 5.09 -1.97 -1.27 116.57 118.20 1cbj h LYS 89 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.66 1cbj h LYS 89 Cb 0.27 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.60 1cbj h LYS 89 CO 0.07 0.04 0.00 0.09 -2.09 0.00 0.00 179.45 177.56 1cbj n ASN 90 N -3.66 2.27 0.00 7.07 3.02 -1.26 -4.81 115.26 117.89 1cbj n ASN 90 Ca -0.03 -1.88 0.00 0.00 -0.03 0.00 0.00 54.58 52.64 1cbj n ASN 90 Cb 0.13 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 1cbj n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cbj n GLY 91 N 1.23 0.53 3.50 7.41 0.00 -0.48 -4.70 105.19 112.67 1cbj n GLY 91 Ca 0.16 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 1cbj n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cbj s VAL 92 N -2.00 4.19 -0.16 1.61 1.01 -1.26 -2.07 120.40 121.72 1cbj s VAL 92 Ca 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 1cbj s VAL 92 Cb 0.00 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 1cbj s VAL 92 CO 0.00 0.43 -0.07 0.00 0.00 0.00 0.00 175.10 175.46 1cbj s ALA 93 N 0.85 2.84 -0.22 5.51 0.00 -0.01 -1.70 121.76 129.03 1cbj s ALA 93 Ca 0.02 -0.92 -0.13 0.00 0.00 0.00 0.00 51.96 50.93 1cbj s ALA 93 Cb -0.14 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 1cbj s ALA 93 CO 0.02 0.08 0.28 0.42 0.00 0.00 0.00 175.76 176.56 1cbj s ILE 94 N 0.61 5.28 -0.18 0.00 -1.09 -1.26 -1.27 121.20 123.29 1cbj s ILE 94 Ca -0.04 0.44 -0.13 0.00 -2.23 0.00 0.00 60.65 58.69 1cbj s ILE 94 Cb -0.15 -3.61 -0.05 0.00 -1.58 0.00 0.00 42.46 37.07 1cbj s ILE 94 CO 0.03 0.31 0.26 -0.69 -1.23 0.00 0.00 174.94 173.61 1cbj s VAL 95 N 1.14 5.32 -0.40 2.92 1.01 -0.13 -4.76 120.40 125.49 1cbj s VAL 95 Ca 0.13 0.46 0.05 0.00 0.00 0.00 0.00 61.98 62.62 1cbj s VAL 95 Cb -0.14 -3.60 0.17 0.00 0.00 0.00 0.00 36.38 32.81 1cbj s VAL 95 CO 0.06 0.38 0.49 -0.62 0.00 0.00 0.00 175.10 175.40 1cbj s ASP 96 N 0.59 0.07 -0.01 3.32 2.15 -1.24 -2.55 116.67 119.00 1cbj s ASP 96 Ca 0.14 -1.39 0.06 0.00 0.43 0.00 0.00 52.55 51.78 1cbj s ASP 96 Cb -0.13 1.09 -0.01 0.00 -0.30 0.00 0.00 42.92 43.57 1cbj s ASP 96 CO 0.03 -0.21 -0.19 -0.63 -0.17 0.00 0.00 175.17 174.01 1cbj s ILE 97 N 1.46 1.47 -0.15 4.11 1.01 -0.37 -5.00 121.20 123.74 1cbj s ILE 97 Ca 0.18 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 60.04 1cbj s ILE 97 Cb -0.10 -1.23 0.01 0.00 0.01 0.00 0.00 42.46 41.15 1cbj s ILE 97 CO -0.05 0.41 -0.19 -0.69 0.00 0.00 0.00 174.94 174.42 1cbj s VAL 98 N -0.45 2.32 -0.01 2.92 1.01 -1.26 -0.25 120.40 124.68 1cbj s VAL 98 Ca 0.07 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.18 1cbj s VAL 98 Cb -0.07 -1.95 -0.00 0.00 0.00 0.00 0.00 36.38 34.36 1cbj s VAL 98 CO -0.01 0.53 -0.07 -0.62 0.00 0.00 0.00 175.10 174.94 1cbj s ASP 99 N 0.84 0.86 0.00 3.32 2.15 -0.38 -4.98 116.67 118.48 1cbj s ASP 99 Ca -0.06 -0.13 0.25 0.00 0.43 0.00 0.00 52.55 53.04 1cbj s ASP 99 Cb -0.15 -0.15 0.39 0.00 -0.30 0.00 0.00 42.92 42.70 1cbj s ASP 99 CO -0.02 0.07 1.33 -0.81 -0.17 0.00 0.00 175.17 175.57 1cbj n PRO 100 N 3.07 0.85 -0.10 4.34 -0.04 -1.26 -0.94 135.00 140.93 1cbj n PRO 100 Ca -0.15 -0.61 -0.21 0.00 -0.04 0.00 0.00 63.50 62.49 1cbj n PRO 100 Cb 0.56 -1.49 -0.12 0.00 -0.04 0.00 0.00 33.50 32.42 1cbj n PRO 100 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1cbj n LEU 101 N -0.54 2.62 -4.74 1.53 7.99 -1.26 -4.82 117.00 117.77 1cbj n LEU 101 Ca 0.10 0.08 -0.34 0.00 -0.01 0.00 0.00 56.01 55.84 1cbj n LEU 101 Cb 0.39 -0.95 0.07 0.00 -0.11 0.00 0.00 43.42 42.82 1cbj n LEU 101 CO 0.29 0.80 0.78 0.27 -1.51 0.00 0.00 177.39 178.01 1cbj s ILE 102 N -2.51 2.68 0.10 -0.08 -4.36 -1.26 -4.90 121.20 110.87 1cbj s ILE 102 Ca -0.32 0.33 -0.03 0.00 -0.26 0.00 0.00 60.65 60.37 1cbj s ILE 102 Cb 0.09 -2.87 -0.03 0.00 1.25 0.00 0.00 42.46 40.90 1cbj s ILE 102 CO 0.62 -0.18 0.07 -0.55 0.24 0.00 0.00 174.94 175.14 1cbj s SER 103 N -2.23 0.32 0.00 4.36 0.15 -1.14 -4.48 113.70 110.68 1cbj s SER 103 Ca 0.71 -1.03 0.18 0.00 0.70 0.00 0.00 55.95 56.52 1cbj s SER 103 Cb -0.26 0.29 0.24 0.00 -1.71 0.00 0.00 66.02 64.58 1cbj s SER 103 CO 0.43 -0.70 1.17 0.18 1.20 0.00 0.00 173.24 175.52 1cbj n LEU 104 N -0.03 2.80 -3.98 3.45 4.77 -1.26 -1.56 117.00 121.18 1cbj n LEU 104 Ca -0.10 -1.24 -0.10 0.00 -0.03 0.00 0.00 56.01 54.55 1cbj n LEU 104 Cb 0.63 -0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.55 1cbj n LEU 104 CO 0.28 0.55 -0.05 -0.94 -1.33 0.00 0.00 177.39 175.90 1cbj s SER 105 N -1.42 0.07 0.41 -1.43 1.04 -1.26 -3.95 113.70 107.16 1cbj s SER 105 Ca 0.26 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.79 1cbj s SER 105 Cb 0.17 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1cbj s SER 105 CO 0.24 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1cbj n GLY 106 N -0.20 -0.33 0.27 7.32 0.00 -1.26 -3.67 105.19 107.31 1cbj n GLY 106 Ca -0.07 -1.06 0.01 0.00 0.00 0.00 0.00 46.02 44.90 1cbj n GLY 106 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1cbj h GLU 107 N 0.00 0.61 -0.70 1.61 4.39 -2.00 -2.26 114.58 116.24 1cbj h GLU 107 Ca 0.00 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1cbj h GLU 107 Cb 0.00 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 1cbj h GLU 107 CO 0.00 0.40 0.00 0.66 -1.16 0.00 0.00 179.01 178.92 1cbj n TYR 108 N -4.85 1.55 -1.74 4.33 4.01 -1.26 -4.97 117.16 114.24 1cbj n TYR 108 Ca 0.11 -0.54 -0.42 0.00 -0.16 0.00 0.00 57.90 56.89 1cbj n TYR 108 Cb 0.26 -0.41 -0.01 0.00 -0.31 0.00 0.00 39.34 38.87 1cbj n TYR 108 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1cbj n SER 109 N 0.45 3.63 -0.71 7.72 2.88 -0.85 -2.88 113.62 123.85 1cbj n SER 109 Ca 0.21 1.17 0.11 0.00 -1.33 0.00 0.00 58.87 59.02 1cbj n SER 109 Cb 0.96 -1.57 0.05 0.00 -0.75 0.00 0.00 64.21 62.90 1cbj n SER 109 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1cbj n ILE 110 N 1.67 0.00 -1.85 2.46 -5.35 -0.60 -4.90 119.36 110.78 1cbj n ILE 110 Ca 0.07 -0.41 -0.42 0.00 -0.27 0.00 0.00 62.75 61.72 1cbj n ILE 110 Cb 0.36 1.37 -0.02 0.00 -1.74 0.00 0.00 39.64 39.61 1cbj n ILE 110 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1cbj s ILE 111 N -2.02 2.30 0.00 7.28 -1.09 -1.26 -1.50 121.20 124.90 1cbj s ILE 111 Ca 0.22 0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.88 1cbj s ILE 111 Cb 0.18 -3.15 0.00 0.00 -1.58 0.00 0.00 42.46 37.90 1cbj s ILE 111 CO 0.37 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.73 1cbj n GLY 112 N 2.66 0.79 2.08 6.18 0.00 0.48 -4.99 105.19 112.39 1cbj n GLY 112 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 1cbj n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cbj n ARG 113 N -2.12 0.91 -5.25 1.61 1.74 -0.56 -2.67 116.66 110.32 1cbj n ARG 113 Ca 0.00 -1.76 -0.32 0.00 -0.77 0.00 0.00 57.85 55.01 1cbj n ARG 113 Cb 0.00 0.02 -0.17 0.00 -1.02 0.00 0.00 32.46 31.29 1cbj n ARG 113 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1cbj s THR 114 N -1.18 2.05 -0.00 0.55 2.01 -1.09 -0.61 115.64 117.37 1cbj s THR 114 Ca 0.25 -1.05 -0.16 0.00 0.31 0.00 0.00 61.69 61.04 1cbj s THR 114 Cb -0.02 -1.74 -0.06 0.00 0.01 0.00 0.00 72.50 70.69 1cbj s THR 114 CO 0.16 0.57 0.46 -0.04 -0.69 0.00 0.00 174.62 175.07 1cbj s MET 115 N -0.05 4.06 -0.03 4.92 -1.94 -0.52 -0.21 119.30 125.52 1cbj s MET 115 Ca -0.07 0.50 0.03 0.00 -1.71 0.00 0.00 55.69 54.43 1cbj s MET 115 Cb -0.15 -3.26 0.00 0.00 2.01 0.00 0.00 34.83 33.43 1cbj s MET 115 CO 0.05 0.59 -0.10 0.08 -0.01 0.00 0.00 175.02 175.63 1cbj s VAL 116 N -0.81 0.85 -0.09 -6.03 1.01 -0.32 -2.06 120.40 112.96 1cbj s VAL 116 Ca 0.25 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1cbj s VAL 116 Cb -0.17 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 1cbj s VAL 116 CO 0.14 0.26 -0.11 0.54 0.00 0.00 0.00 175.10 175.93 1cbj s VAL 117 N 0.14 3.29 0.39 2.92 0.11 -0.72 -1.83 120.40 124.70 1cbj s VAL 117 Ca -0.03 -0.61 0.08 0.00 -2.93 0.00 0.00 61.98 58.49 1cbj s VAL 117 Cb -0.08 -2.35 -0.03 0.00 -1.53 0.00 0.00 36.38 32.40 1cbj s VAL 117 CO 0.01 0.56 0.33 -1.00 -3.33 0.00 0.00 175.10 171.67 1cbj s HIS 118 N -0.32 2.76 0.13 1.54 3.76 0.15 -0.99 115.29 122.33 1cbj s HIS 118 Ca 0.03 -0.44 -0.14 0.00 -0.15 0.00 0.00 55.06 54.37 1cbj s HIS 118 Cb -0.13 -2.03 -0.00 0.00 1.11 0.00 0.00 32.58 31.53 1cbj s HIS 118 CO 0.02 0.00 1.59 1.49 -0.85 0.00 0.00 174.74 177.00 1cbj h GLU 119 N 1.14 0.76 -5.78 1.40 4.81 -0.71 -3.37 114.58 112.82 1cbj h GLU 119 Ca -0.42 -0.23 -0.60 0.00 -0.13 0.00 0.00 59.36 57.98 1cbj h GLU 119 Cb 1.26 -0.07 -0.10 0.00 0.63 0.00 0.00 28.75 30.46 1cbj h GLU 119 CO 0.59 0.82 -0.54 0.15 -0.73 0.00 0.00 179.01 179.29 1cbj s LYS 120 N -5.06 2.11 0.58 1.92 1.02 -0.33 -4.91 119.74 115.07 1cbj s LYS 120 Ca -0.13 -1.97 -0.20 0.00 0.02 0.00 0.00 55.97 53.69 1cbj s LYS 120 Cb 0.11 -1.83 -0.04 0.00 -0.52 0.00 0.00 37.83 35.55 1cbj s LYS 120 CO 0.80 -0.10 1.28 -2.14 -0.92 0.00 0.00 175.35 174.27 1cbj s PRO 121 N -3.83 2.98 -0.14 -1.68 0.02 -1.18 -1.72 135.00 129.46 1cbj s PRO 121 Ca 0.38 2.02 -0.26 0.00 0.02 0.00 0.00 61.00 63.16 1cbj s PRO 121 Cb 0.06 -2.05 -0.02 0.00 0.02 0.00 0.00 34.50 32.51 1cbj s PRO 121 CO 0.20 -1.26 0.83 0.34 -0.33 0.00 0.00 177.00 176.79 1cbj s ASP 122 N -1.31 7.01 0.00 2.53 -1.08 -1.26 -4.03 116.67 118.53 1cbj s ASP 122 Ca 0.76 1.23 0.14 0.00 -0.52 0.00 0.00 52.55 54.16 1cbj s ASP 122 Cb -0.36 -2.46 0.69 0.00 -1.46 0.00 0.00 42.92 39.34 1cbj s ASP 122 CO 0.40 -0.35 1.47 -0.90 0.52 0.00 0.00 175.17 176.30 1cbj n ASP 123 N 4.90 0.54 -1.86 -0.34 5.68 0.98 -4.90 116.55 121.55 1cbj n ASP 123 Ca 0.04 -1.67 -0.18 0.00 -0.50 0.00 0.00 54.79 52.47 1cbj n ASP 123 Cb 0.49 -0.05 -0.03 0.00 -1.14 0.00 0.00 41.12 40.39 1cbj n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1cbj n LEU 124 N -0.35 -1.67 -0.17 -2.12 4.77 -1.26 -2.10 117.00 114.10 1cbj n LEU 124 Ca 0.11 0.14 -0.02 0.00 -0.03 0.00 0.00 56.01 56.21 1cbj n LEU 124 Cb 0.13 -2.63 -0.01 0.00 -2.33 0.00 0.00 43.42 38.58 1cbj n LEU 124 CO 0.08 -0.46 -0.02 0.61 -1.33 0.00 0.00 177.39 176.28 1cbj n GLY 125 N -0.91 0.56 0.45 -0.72 0.00 -1.24 -3.32 105.19 100.01 1cbj n GLY 125 Ca -0.21 -0.67 0.07 0.00 0.00 0.00 0.00 46.02 45.22 1cbj n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cbj n ARG 126 N -2.77 1.68 0.17 1.61 1.74 -0.89 -4.70 116.66 113.50 1cbj n ARG 126 Ca -0.02 -2.87 0.13 0.00 -0.77 0.00 0.00 57.85 54.32 1cbj n ARG 126 Cb 0.09 -1.62 0.35 0.00 -1.02 0.00 0.00 32.46 30.26 1cbj n ARG 126 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1cbj h GLY 127 N 0.64 0.00 0.00 -0.13 0.00 -1.90 -3.47 103.07 98.21 1cbj h GLY 127 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1cbj h GLY 127 CO 0.08 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.23 1cbj n GLY 128 N 0.99 1.90 3.82 4.60 0.00 -1.26 -5.01 105.19 110.23 1cbj n GLY 128 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 1cbj n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cbj s ASN 129 N -2.60 4.47 0.16 1.61 2.20 -1.26 -5.05 114.94 114.47 1cbj s ASN 129 Ca 0.00 -1.26 -0.07 0.00 -0.94 0.00 0.00 52.86 50.59 1cbj s ASN 129 Cb 0.00 0.11 0.00 0.00 -2.00 0.00 0.00 41.25 39.36 1cbj s ASN 129 CO 0.00 -0.85 1.43 -0.08 -2.94 0.00 0.00 177.10 174.66 1cbj h GLU 130 N 1.11 0.67 -0.14 3.55 4.81 -2.01 -3.04 114.58 119.53 1cbj h GLU 130 Ca -0.40 -0.46 -0.03 0.00 -0.13 0.00 0.00 59.36 58.34 1cbj h GLU 130 Cb 1.29 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.73 1cbj h GLU 130 CO 0.65 1.08 -0.03 1.49 -0.73 0.00 0.00 179.01 181.47 1cbj h GLU 131 N 0.50 0.20 -0.44 1.92 4.57 -2.00 -2.31 114.58 117.01 1cbj h GLU 131 Ca -0.00 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.18 1cbj h GLU 131 Cb 1.19 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.72 1cbj h GLU 131 CO 0.12 0.25 0.30 1.03 -1.18 0.00 0.00 179.01 179.53 1cbj h SER 132 N 0.20 0.40 1.14 1.04 0.87 -1.88 0.08 113.55 115.40 1cbj h SER 132 Ca 0.05 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1cbj h SER 132 Cb 0.19 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1cbj h SER 132 CO 0.01 0.27 0.00 1.07 -0.53 0.00 0.00 176.83 177.65 1cbj n THR 133 N -4.48 0.28 -0.06 2.23 5.66 -0.87 -2.16 114.28 114.89 1cbj n THR 133 Ca 0.05 -0.09 -0.12 0.00 -3.05 0.00 0.00 64.05 60.84 1cbj n THR 133 Cb 0.17 -0.57 -0.04 0.00 -1.55 0.00 0.00 70.33 68.34 1cbj n THR 133 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1cbj n LYS 134 N -1.79 0.27 0.00 1.09 4.76 -0.55 -0.95 118.16 120.98 1cbj n LYS 134 Ca 0.06 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 1cbj n LYS 134 Cb 0.36 -0.95 0.00 0.00 -1.84 0.00 0.00 35.03 32.60 1cbj n LYS 134 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1cbj n THR 135 N -3.63 0.00 -0.94 -0.18 -2.24 -0.09 -4.62 114.28 102.58 1cbj n THR 135 Ca -0.22 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1cbj n THR 135 Cb 0.61 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 1cbj n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cbj n GLY 136 N 1.29 0.53 3.24 3.38 0.00 -0.92 -3.32 105.19 109.39 1cbj n GLY 136 Ca 0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 1cbj n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1cbj n ASN 137 N 0.04 -5.39 -0.00 1.61 3.02 -1.26 -0.01 115.26 113.27 1cbj n ASN 137 Ca 0.00 -0.38 0.14 0.00 -0.03 0.00 0.00 54.58 54.31 1cbj n ASN 137 Cb 0.00 -4.36 0.62 0.00 -0.61 0.00 0.00 39.78 35.43 1cbj n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cbj n ALA 138 N -3.78 2.33 -0.40 5.41 0.00 -1.21 -4.72 120.51 118.13 1cbj n ALA 138 Ca -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1cbj n ALA 138 Cb 0.59 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1cbj n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cbj n GLY 139 N 1.50 0.38 3.59 0.00 0.00 -1.26 -1.18 105.19 108.22 1cbj n GLY 139 Ca 0.07 -0.88 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 1cbj n GLY 139 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cbj n SER 140 N -0.01 0.24 -4.49 1.61 7.64 -1.26 -4.61 113.62 112.74 1cbj n SER 140 Ca 0.00 0.65 -0.43 0.00 1.01 0.00 0.00 58.87 60.10 1cbj n SER 140 Cb 0.00 -1.38 -0.09 0.00 -1.01 0.00 0.00 64.21 61.73 1cbj n SER 140 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1cbj s ARG 141 N -3.28 3.12 0.09 1.43 0.52 -1.26 -0.47 118.95 119.09 1cbj s ARG 141 Ca 0.72 -0.73 -0.04 0.00 -0.52 0.00 0.00 55.73 55.16 1cbj s ARG 141 Cb -0.34 -3.96 -0.23 0.00 0.52 0.00 0.00 34.95 30.94 1cbj s ARG 141 CO 0.52 -0.85 1.19 -0.07 0.02 0.00 0.00 175.30 176.10 1cbj h LEU 142 N 9.08 0.44 -7.00 2.53 3.38 -1.37 -3.48 115.31 118.89 1cbj h LEU 142 Ca -0.26 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.25 1cbj h LEU 142 Cb 1.11 -0.14 -0.15 0.00 0.09 0.00 0.00 40.66 41.57 1cbj h LEU 142 CO 0.80 1.31 0.24 0.00 0.09 0.00 0.00 178.44 180.87 1cbj s ALA 143 N -2.81 -1.68 0.28 1.53 0.00 -1.21 -4.23 121.76 113.64 1cbj s ALA 143 Ca -0.04 0.81 -0.19 0.00 0.00 0.00 0.00 51.96 52.54 1cbj s ALA 143 Cb 0.08 0.54 0.02 0.00 0.00 0.00 0.00 23.12 23.75 1cbj s ALA 143 CO 0.88 -0.63 0.68 0.00 0.00 0.00 0.00 175.76 176.69 1cbj s GLY 145 N -2.95 -0.51 0.09 0.00 0.00 -0.87 -1.47 107.32 101.61 1cbj s GLY 145 Ca 0.13 1.00 -0.23 0.00 0.00 0.00 0.00 44.72 45.63 1cbj s GLY 145 CO 0.08 0.44 0.70 0.14 0.00 0.00 0.00 173.10 174.46 1cbj s VAL 146 N -2.84 4.63 -0.28 1.40 1.01 -1.26 -1.44 120.40 121.62 1cbj s VAL 146 Ca 0.01 1.50 -0.26 0.00 0.00 0.00 0.00 61.98 63.23 1cbj s VAL 146 Cb -0.01 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.33 1cbj s VAL 146 CO -0.07 0.47 0.93 -0.63 0.00 0.00 0.00 175.10 175.81 1cbj s ILE 147 N -0.71 4.71 0.38 2.22 1.01 0.22 -4.50 121.20 124.53 1cbj s ILE 147 Ca 0.34 1.62 0.08 0.00 0.00 0.00 0.00 60.65 62.69 1cbj s ILE 147 Cb -0.21 -4.25 -0.06 0.00 0.01 0.00 0.00 42.46 37.96 1cbj s ILE 147 CO 0.22 -0.25 0.09 -0.83 0.00 0.00 0.00 174.94 174.18 1cbj s GLY 148 N 1.46 2.23 0.13 6.18 0.00 0.04 -0.38 107.32 116.97 1cbj s GLY 148 Ca 0.39 -2.06 -0.30 0.00 0.00 0.00 0.00 44.72 42.75 1cbj s GLY 148 CO 0.10 -1.92 1.13 -0.42 0.00 0.00 0.00 173.10 171.99 1cbj s ILE 149 N -2.57 3.96 0.31 0.90 1.01 -1.26 -0.97 121.20 122.57 1cbj s ILE 149 Ca 0.38 1.57 0.10 0.00 0.00 0.00 0.00 60.65 62.70 1cbj s ILE 149 Cb 0.03 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 1cbj s ILE 149 CO 0.21 0.22 -0.08 0.00 0.00 0.00 0.00 174.94 175.29 1cbj s ALA 150 N 0.23 3.01 -2.00 9.38 0.00 -0.70 -4.79 121.76 126.89 1cbj s ALA 150 Ca 0.52 -1.90 0.26 0.00 0.00 0.00 0.00 51.96 50.85 1cbj s ALA 150 Cb -0.29 -0.36 1.58 0.00 0.00 0.00 0.00 23.12 24.05 1cbj s ALA 150 CO 0.33 0.18 1.93 1.17 0.00 0.00 0.00 175.76 179.37