#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gbj s GLN 2 N 0.00 3.87 0.29 3.17 -0.21 -1.26 -0.60 119.66 124.91 2gbj s GLN 2 Ca 0.00 -0.11 0.06 0.00 0.02 0.00 0.00 55.36 55.33 2gbj s GLN 2 Cb 0.00 -3.31 -0.06 0.00 1.00 0.00 0.00 33.01 30.64 2gbj s GLN 2 CO 0.00 0.52 -0.03 0.96 -2.12 0.00 0.00 175.29 174.61 2gbj s ILE 3 N -0.29 1.56 0.12 1.08 -4.36 -0.61 -0.32 121.20 118.37 2gbj s ILE 3 Ca 0.13 -2.09 0.11 0.00 -0.26 0.00 0.00 60.65 58.53 2gbj s ILE 3 Cb -0.12 -2.52 -0.04 0.00 1.25 0.00 0.00 42.46 41.03 2gbj s ILE 3 CO 0.02 -0.24 -0.26 -0.36 0.24 0.00 0.00 174.94 174.34 2gbj s PHE 4 N -3.06 2.33 -0.08 1.37 0.08 0.13 -0.98 117.98 117.77 2gbj s PHE 4 Ca 0.31 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 56.98 2gbj s PHE 4 Cb 0.05 -1.28 0.02 0.00 -0.57 0.00 0.00 43.02 41.24 2gbj s PHE 4 CO 0.13 0.31 -0.06 0.08 -0.10 0.00 0.00 175.22 175.58 2gbj s VAL 5 N -1.03 0.80 -0.05 -0.44 1.01 0.32 -0.47 120.40 120.54 2gbj s VAL 5 Ca 0.14 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 61.97 2gbj s VAL 5 Cb -0.10 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 2gbj s VAL 5 CO 0.06 0.32 -0.15 -0.75 0.00 0.00 0.00 175.10 174.57 2gbj s LYS 6 N 1.48 2.49 0.15 2.72 2.20 0.11 0.08 119.74 128.97 2gbj s LYS 6 Ca -0.01 -0.72 -0.30 0.00 -0.36 0.00 0.00 55.97 54.59 2gbj s LYS 6 Cb -0.13 -2.35 -0.07 0.00 -1.51 0.00 0.00 37.83 33.76 2gbj s LYS 6 CO -0.04 0.61 1.09 0.95 -0.36 0.00 0.00 175.35 177.60 2gbj s THR 7 N -0.69 3.97 0.44 3.43 -4.23 -0.69 -0.53 115.64 117.35 2gbj s THR 7 Ca 0.11 1.65 -0.25 0.00 -1.18 0.00 0.00 61.69 62.02 2gbj s THR 7 Cb -0.11 -4.05 -0.08 0.00 1.34 0.00 0.00 72.50 69.60 2gbj s THR 7 CO 0.00 0.26 1.33 -0.22 -0.54 0.00 0.00 174.62 175.46 2gbj s LEU 8 N -0.14 4.11 0.14 4.79 2.96 -0.65 -4.65 118.68 125.24 2gbj s LEU 8 Ca 0.50 2.71 -0.04 0.00 -0.22 0.00 0.00 54.13 57.08 2gbj s LEU 8 Cb -0.29 -4.00 -0.05 0.00 0.50 0.00 0.00 46.19 42.35 2gbj s LEU 8 CO 0.34 -1.05 0.36 0.42 -1.32 0.00 0.00 176.35 175.10 2gbj s THR 9 N -1.28 5.19 0.26 3.68 -4.23 -1.26 -4.97 115.64 113.03 2gbj s THR 9 Ca 0.61 -0.06 0.11 0.00 -1.18 0.00 0.00 61.69 61.17 2gbj s THR 9 Cb -0.39 -3.64 -0.05 0.00 1.34 0.00 0.00 72.50 69.76 2gbj s THR 9 CO 0.49 0.01 -0.13 -0.83 -0.54 0.00 0.00 174.62 173.63 2gbj s GLY 10 N -2.55 1.78 0.02 3.99 0.00 -1.26 -5.08 107.32 104.24 2gbj s GLY 10 Ca 0.40 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.36 2gbj s GLY 10 CO 0.26 -1.83 0.00 0.61 0.00 0.00 0.00 173.10 172.13 2gbj n GLY 11 N -0.63 -1.83 0.38 0.20 0.00 -1.26 -4.94 105.19 97.11 2gbj n GLY 11 Ca -0.06 -1.32 -0.03 0.00 0.00 0.00 0.00 46.02 44.61 2gbj n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbj n GLY 12 N -0.46 3.46 0.04 -0.02 0.00 -1.26 -5.00 105.19 101.95 2gbj n GLY 12 Ca 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.82 2gbj n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbj n GLY 13 N 4.34 0.92 0.00 -0.02 0.00 -1.26 -4.76 105.19 104.41 2gbj n GLY 13 Ca -0.01 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.22 2gbj n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbj n GLY 14 N 0.00 0.89 1.02 -0.02 0.00 -1.26 -5.14 105.19 100.68 2gbj n GLY 14 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2gbj n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbj n GLY 15 N 3.61 0.47 7.00 -0.02 0.00 -1.26 -4.91 105.19 110.08 2gbj n GLY 15 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2gbj n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbj n GLY 16 N -0.84 -1.18 0.00 -0.02 0.00 -1.26 -5.18 105.19 96.71 2gbj n GLY 16 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.84 2gbj n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbj n GLY 17 N 0.00 0.87 0.00 -0.02 0.00 -1.26 -5.08 105.19 99.70 2gbj n GLY 17 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2gbj n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbj n GLY 18 N 0.00 -0.59 3.48 -0.02 0.00 -1.26 -4.64 105.19 102.16 2gbj n GLY 18 Ca 0.00 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 2gbj n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gbj s LYS 19 N -0.56 0.97 -0.08 1.61 1.02 -1.26 -5.01 119.74 116.43 2gbj s LYS 19 Ca 0.00 -0.26 0.04 0.00 0.02 0.00 0.00 55.97 55.77 2gbj s LYS 19 Cb 0.00 0.45 -0.01 0.00 -0.52 0.00 0.00 37.83 37.75 2gbj s LYS 19 CO 0.00 -0.41 -0.22 0.99 -0.92 0.00 0.00 175.35 174.79 2gbj s THR 20 N -2.94 2.28 0.32 2.17 2.01 -1.26 -1.70 115.64 116.53 2gbj s THR 20 Ca 0.01 -0.96 0.09 0.00 0.31 0.00 0.00 61.69 61.14 2gbj s THR 20 Cb -0.01 -1.87 -0.05 0.00 0.01 0.00 0.00 72.50 70.58 2gbj s THR 20 CO -0.07 0.56 0.00 0.27 -0.69 0.00 0.00 174.62 174.69 2gbj s ILE 21 N 0.06 2.80 -0.11 1.82 -4.36 0.11 -4.92 121.20 116.61 2gbj s ILE 21 Ca -0.09 -1.98 0.02 0.00 -0.26 0.00 0.00 60.65 58.34 2gbj s ILE 21 Cb -0.15 -2.77 -0.01 0.00 1.25 0.00 0.00 42.46 40.77 2gbj s ILE 21 CO 0.06 -0.25 -0.17 -0.89 0.24 0.00 0.00 174.94 173.93 2gbj s THR 22 N -2.47 2.74 0.10 8.37 2.01 -1.26 -0.52 115.64 124.60 2gbj s THR 22 Ca 0.34 -0.79 0.10 0.00 0.31 0.00 0.00 61.69 61.65 2gbj s THR 22 Cb -0.02 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 2gbj s THR 22 CO 0.19 0.54 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.67 2gbj s LEU 23 N 0.17 2.40 -0.25 4.42 1.43 -0.15 -5.00 118.68 121.70 2gbj s LEU 23 Ca -0.10 -0.64 -0.10 0.00 -1.03 0.00 0.00 54.13 52.27 2gbj s LEU 23 Cb -0.16 -1.34 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 2gbj s LEU 23 CO 0.06 0.20 0.15 -0.70 0.23 0.00 0.00 176.35 176.29 2gbj s GLU 24 N -1.84 3.95 0.19 1.70 2.56 -1.26 -1.58 118.70 122.42 2gbj s GLU 24 Ca 0.14 -0.33 -0.02 0.00 0.00 0.00 0.00 54.97 54.77 2gbj s GLU 24 Cb -0.10 -3.54 -0.04 0.00 2.00 0.00 0.00 34.13 32.45 2gbj s GLU 24 CO 0.06 -0.06 0.13 0.14 -0.56 0.00 0.00 175.26 174.97 2gbj s VAL 25 N 1.39 0.02 0.20 3.70 -7.23 0.23 -4.94 120.40 113.77 2gbj s VAL 25 Ca 0.07 -1.95 0.10 0.00 -1.81 0.00 0.00 61.98 58.39 2gbj s VAL 25 Cb -0.15 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 2gbj s VAL 25 CO 0.07 -0.09 -0.17 -1.61 -0.31 0.00 0.00 175.10 172.99 2gbj s GLU 26 N -4.13 1.78 0.56 4.82 0.41 -1.26 -0.30 118.70 120.59 2gbj s GLU 26 Ca 0.35 -1.43 0.25 0.00 -0.41 0.00 0.00 54.97 53.73 2gbj s GLU 26 Cb 0.07 -1.98 1.58 0.00 -1.78 0.00 0.00 34.13 32.01 2gbj s GLU 26 CO 0.10 0.41 2.16 -1.35 -0.49 0.00 0.00 175.26 176.09 2gbj h PRO 27 N 2.98 0.00 -0.00 0.39 0.11 -1.97 -1.01 132.00 132.50 2gbj h PRO 27 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2gbj h PRO 27 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2gbj h PRO 27 CO 0.52 0.00 -0.05 -1.13 -0.21 0.00 0.00 178.00 177.13 2gbj n SER 28 N -4.10 0.19 -4.75 -2.05 3.41 -1.26 -2.43 113.62 102.62 2gbj n SER 28 Ca -0.01 -0.33 -0.41 0.00 -0.26 0.00 0.00 58.87 57.86 2gbj n SER 28 Cb 0.19 -0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 2gbj n SER 28 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2gbj s ASP 29 N -2.53 6.77 0.61 4.04 1.01 -0.38 -4.80 116.67 121.38 2gbj s ASP 29 Ca 0.29 2.62 -0.10 0.00 0.71 0.00 0.00 52.55 56.06 2gbj s ASP 29 Cb 0.20 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.46 2gbj s ASP 29 CO 0.47 -0.58 1.00 0.42 0.21 0.00 0.00 175.17 176.69 2gbj s THR 30 N -0.52 4.62 0.25 -1.27 -4.23 -1.26 -1.22 115.64 112.02 2gbj s THR 30 Ca 0.54 0.75 -0.05 0.00 -1.18 0.00 0.00 61.69 61.75 2gbj s THR 30 Cb -0.40 -3.83 0.26 0.00 1.34 0.00 0.00 72.50 69.87 2gbj s THR 30 CO 0.47 -1.06 1.91 0.40 -0.54 0.00 0.00 174.62 175.79 2gbj h ILE 31 N -0.28 1.19 -0.52 2.99 1.08 -0.92 -0.92 117.51 120.14 2gbj h ILE 31 Ca -0.44 -0.44 0.10 0.00 -0.39 0.00 0.00 64.86 63.69 2gbj h ILE 31 Cb 1.20 -0.19 -0.08 0.00 -3.07 0.00 0.00 36.82 34.67 2gbj h ILE 31 CO 0.62 0.23 0.06 -0.08 -0.69 0.00 0.00 178.15 178.29 2gbj h GLU 32 N 1.27 0.18 -0.82 2.37 4.81 -1.45 -0.65 114.58 120.30 2gbj h GLU 32 Ca 0.39 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.63 2gbj h GLU 32 Cb -0.04 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.26 2gbj h GLU 32 CO -0.11 0.12 0.53 -0.97 -0.73 0.00 0.00 179.01 177.85 2gbj h ASN 33 N 0.18 0.90 -0.68 1.04 -0.00 -1.51 -1.76 115.58 113.75 2gbj h ASN 33 Ca 0.27 -0.01 -0.01 0.00 -0.00 0.00 0.00 56.30 56.55 2gbj h ASN 33 Cb 0.39 -0.21 -0.03 0.00 -0.00 0.00 0.00 38.32 38.47 2gbj h ASN 33 CO -0.39 0.63 0.40 0.58 -0.00 0.00 0.00 177.43 178.65 2gbj h VAL 34 N 1.05 1.20 -0.38 2.57 2.07 -0.52 -1.15 116.25 121.10 2gbj h VAL 34 Ca 0.32 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2gbj h VAL 34 Cb -0.04 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 2gbj h VAL 34 CO -0.10 0.21 0.14 0.11 0.02 0.00 0.00 177.57 177.95 2gbj h LYS 35 N 0.92 0.53 -0.56 1.57 1.57 -0.86 -1.35 116.57 118.39 2gbj h LYS 35 Ca 0.24 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.87 2gbj h LYS 35 Cb -0.01 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2gbj h LYS 35 CO -0.04 0.45 0.04 0.00 -0.57 0.00 0.00 179.45 179.33 2gbj h ALA 36 N 1.62 1.02 -0.38 3.86 0.00 -0.69 -0.16 119.26 124.53 2gbj h ALA 36 Ca 0.13 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 2gbj h ALA 36 Cb 0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2gbj h ALA 36 CO -0.01 0.61 -0.08 0.87 0.00 0.00 0.00 179.25 180.64 2gbj h LYS 37 N 0.86 0.65 -0.47 0.00 1.57 -0.46 -1.25 116.57 117.47 2gbj h LYS 37 Ca 0.17 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 2gbj h LYS 37 Cb 0.45 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 2gbj h LYS 37 CO 0.02 0.72 0.02 0.82 -0.57 0.00 0.00 179.45 180.46 2gbj h ILE 38 N 0.60 1.26 -0.93 1.86 2.04 -0.84 -2.26 117.51 119.25 2gbj h ILE 38 Ca 0.11 -1.02 0.04 0.00 1.00 0.00 0.00 64.86 64.99 2gbj h ILE 38 Cb 0.49 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.50 2gbj h ILE 38 CO 0.03 0.36 0.60 -0.61 0.00 0.00 0.00 178.15 178.52 2gbj h GLN 39 N 0.68 1.11 -0.37 2.37 4.15 -0.70 0.49 115.11 122.84 2gbj h GLN 39 Ca 0.14 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.45 2gbj h GLN 39 Cb 0.48 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 2gbj h GLN 39 CO 0.02 0.73 0.05 -0.44 -1.93 0.00 0.00 178.83 177.26 2gbj h ASP 40 N 1.14 0.51 0.14 -0.69 3.32 -0.92 0.11 116.42 120.04 2gbj h ASP 40 Ca 0.38 -0.08 -0.20 0.00 0.02 0.00 0.00 57.03 57.14 2gbj h ASP 40 Cb 0.04 -0.13 0.02 0.00 0.22 0.00 0.00 39.33 39.48 2gbj h ASP 40 CO -0.13 0.55 -0.91 0.11 -1.72 0.00 0.00 179.24 177.14 2gbj h LYS 41 N 0.54 0.31 0.00 3.56 1.79 -0.83 -3.42 116.57 118.52 2gbj h LYS 41 Ca 0.12 -0.52 0.00 0.00 -2.18 0.00 0.00 60.65 58.07 2gbj h LYS 41 Cb 0.27 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 2gbj h LYS 41 CO 0.00 1.25 0.00 0.39 -1.08 0.00 0.00 179.45 180.01 2gbj n GLU 42 N -4.08 3.17 -0.75 3.15 -0.58 0.11 -5.03 120.64 116.63 2gbj n GLU 42 Ca -0.15 -0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.39 2gbj n GLU 42 Cb 0.85 -0.67 0.00 0.00 -0.57 0.00 0.00 31.44 31.05 2gbj n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2gbj n GLY 43 N 0.51 1.06 3.67 0.62 0.00 0.36 -4.99 105.19 106.42 2gbj n GLY 43 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2gbj n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gbj s ILE 44 N -3.59 4.68 0.46 -0.61 -1.09 -1.26 -4.95 121.20 114.84 2gbj s ILE 44 Ca 0.00 2.00 -0.25 0.00 -2.23 0.00 0.00 60.65 60.17 2gbj s ILE 44 Cb 0.00 -4.29 -0.08 0.00 -1.58 0.00 0.00 42.46 36.51 2gbj s ILE 44 CO 0.00 -0.12 1.41 -2.65 -1.23 0.00 0.00 174.94 172.35 2gbj n PRO 45 N 5.93 2.18 -0.09 2.79 -0.02 -1.26 -3.89 135.00 140.64 2gbj n PRO 45 Ca 0.11 0.78 0.15 0.00 -2.02 0.00 0.00 63.50 62.52 2gbj n PRO 45 Cb 0.47 -2.60 0.55 0.00 -0.02 0.00 0.00 33.50 31.90 2gbj n PRO 45 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2gbj h PRO 46 N 2.20 0.29 0.00 0.52 0.11 -1.95 -0.97 132.00 132.21 2gbj h PRO 46 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2gbj h PRO 46 Cb 1.27 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2gbj h PRO 46 CO 0.61 0.19 0.00 0.38 -0.21 0.00 0.00 178.00 178.97 2gbj h ASP 47 N 0.30 0.00 -0.58 -2.05 2.03 -1.98 -1.94 116.42 112.20 2gbj h ASP 47 Ca 0.30 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.60 2gbj h ASP 47 Cb 0.78 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.28 2gbj h ASP 47 CO -0.07 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.14 2gbj n GLN 48 N -2.61 2.94 -4.81 4.15 6.02 -0.37 -4.85 117.38 117.84 2gbj n GLN 48 Ca 0.02 -2.34 -0.33 0.00 -0.01 0.00 0.00 57.00 54.33 2gbj n GLN 48 Cb 0.27 -1.66 -0.13 0.00 1.02 0.00 0.00 30.24 29.73 2gbj n GLN 48 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2gbj s GLN 49 N -1.53 2.80 -0.10 -1.09 -0.21 -0.73 -0.81 119.66 118.01 2gbj s GLN 49 Ca 0.43 -0.67 0.02 0.00 0.02 0.00 0.00 55.36 55.16 2gbj s GLN 49 Cb 0.25 -2.49 -0.01 0.00 1.00 0.00 0.00 33.01 31.76 2gbj s GLN 49 CO 0.24 0.51 -0.17 1.03 -2.12 0.00 0.00 175.29 174.78 2gbj s ARG 50 N -0.42 3.00 -0.05 2.91 0.52 0.36 -4.88 118.95 120.39 2gbj s ARG 50 Ca 0.05 -0.76 0.02 0.00 -0.52 0.00 0.00 55.73 54.53 2gbj s ARG 50 Cb -0.12 -2.44 -0.03 0.00 0.52 0.00 0.00 34.95 32.87 2gbj s ARG 50 CO 0.02 0.32 -0.10 -0.51 0.02 0.00 0.00 175.30 175.05 2gbj s LEU 51 N 0.03 2.99 -0.03 2.53 1.43 -1.26 -0.99 118.68 123.38 2gbj s LEU 51 Ca -0.06 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 52.96 2gbj s LEU 51 Cb -0.15 -1.65 -0.00 0.00 0.03 0.00 0.00 46.19 44.42 2gbj s LEU 51 CO 0.05 0.34 -0.13 -0.63 0.23 0.00 0.00 176.35 176.21 2gbj s ILE 52 N -0.81 1.12 -0.07 -0.59 1.01 0.17 -0.67 121.20 121.36 2gbj s ILE 52 Ca 0.13 -0.55 -0.06 0.00 0.00 0.00 0.00 60.65 60.16 2gbj s ILE 52 Cb -0.11 -0.97 0.02 0.00 0.01 0.00 0.00 42.46 41.41 2gbj s ILE 52 CO 0.02 0.33 0.18 0.12 0.00 0.00 0.00 174.94 175.59 2gbj s PHE 53 N 0.06 -0.19 -1.47 3.97 5.36 -0.47 -0.95 117.98 124.29 2gbj s PHE 53 Ca -0.02 0.47 -0.12 0.00 -0.96 0.00 0.00 56.93 56.29 2gbj s PHE 53 Cb -0.09 0.06 0.09 0.00 -0.34 0.00 0.00 43.02 42.74 2gbj s PHE 53 CO 0.01 -0.10 0.74 0.00 -1.46 0.00 0.00 175.22 174.40 2gbj n ALA 54 N 2.92 -1.17 -1.00 11.12 0.00 -1.26 -1.56 120.51 129.56 2gbj n ALA 54 Ca -0.13 0.13 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2gbj n ALA 54 Cb 0.59 -3.64 -0.00 0.00 0.00 0.00 0.00 19.45 16.39 2gbj n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbj n GLY 55 N -1.43 0.40 3.18 0.00 0.00 -1.26 -5.01 105.19 101.06 2gbj n GLY 55 Ca 0.02 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 2gbj n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gbj s LYS 56 N -0.50 1.32 0.22 1.61 1.02 -0.60 -5.12 119.74 117.69 2gbj s LYS 56 Ca 0.00 -0.70 -0.30 0.00 0.02 0.00 0.00 55.97 54.99 2gbj s LYS 56 Cb 0.00 -1.31 -0.08 0.00 -0.52 0.00 0.00 37.83 35.91 2gbj s LYS 56 CO 0.00 0.35 1.12 -1.14 -0.92 0.00 0.00 175.35 174.76 2gbj s GLN 57 N -0.67 4.59 -0.04 1.68 0.74 -1.26 -1.36 119.66 123.33 2gbj s GLN 57 Ca 0.06 1.79 -0.13 0.00 0.05 0.00 0.00 55.36 57.13 2gbj s GLN 57 Cb -0.07 -3.23 -0.05 0.00 1.10 0.00 0.00 33.01 30.75 2gbj s GLN 57 CO 0.00 0.09 0.35 -0.51 -0.55 0.00 0.00 175.29 174.67 2gbj s LEU 58 N -0.76 4.43 0.20 3.68 1.43 0.15 -4.95 118.68 122.86 2gbj s LEU 58 Ca 0.48 0.83 -0.26 0.00 -1.03 0.00 0.00 54.13 54.15 2gbj s LEU 58 Cb -0.31 -2.48 -0.08 0.00 0.03 0.00 0.00 46.19 43.35 2gbj s LEU 58 CO 0.38 0.31 0.82 -1.61 0.23 0.00 0.00 176.35 176.47 2gbj s GLU 59 N -0.86 4.59 0.33 1.70 2.02 -1.26 -4.70 118.70 120.52 2gbj s GLU 59 Ca 0.22 1.21 0.01 0.00 0.02 0.00 0.00 54.97 56.42 2gbj s GLU 59 Cb -0.15 -3.19 0.57 0.00 0.10 0.00 0.00 34.13 31.45 2gbj s GLU 59 CO 0.11 0.52 1.98 -0.44 0.02 0.00 0.00 175.26 177.45 2gbj h ASP 60 N 4.10 0.82 1.01 -0.19 5.19 -1.98 -3.00 116.42 122.38 2gbj h ASP 60 Ca -0.47 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 2gbj h ASP 60 Cb 1.20 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.51 2gbj h ASP 60 CO 0.66 0.58 -0.06 0.61 -3.12 0.00 0.00 179.24 177.91 2gbj n GLY 61 N -1.43 -1.50 3.89 2.75 0.00 -1.26 -1.25 105.19 106.40 2gbj n GLY 61 Ca 0.08 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 2gbj n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gbj s ARG 62 N -3.02 3.64 0.43 1.61 0.52 -1.13 -4.86 118.95 116.14 2gbj s ARG 62 Ca 0.13 0.30 -0.02 0.00 -0.52 0.00 0.00 55.73 55.62 2gbj s ARG 62 Cb 0.18 -2.40 -0.02 0.00 0.52 0.00 0.00 34.95 33.23 2gbj s ARG 62 CO 0.56 -0.11 0.68 0.95 0.02 0.00 0.00 175.30 177.40 2gbj s THR 63 N -2.55 4.59 0.28 0.02 -4.23 -1.26 -1.06 115.64 111.44 2gbj s THR 63 Ca 0.49 -0.26 0.01 0.00 -1.18 0.00 0.00 61.69 60.74 2gbj s THR 63 Cb -0.10 -3.71 0.28 0.00 1.34 0.00 0.00 72.50 70.30 2gbj s THR 63 CO 0.38 -0.56 1.82 -0.07 -0.54 0.00 0.00 174.62 175.66 2gbj h LEU 64 N 0.43 0.87 -0.77 4.79 3.38 -1.19 -2.13 115.31 120.69 2gbj h LEU 64 Ca -0.48 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 2gbj h LEU 64 Cb 1.23 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 2gbj h LEU 64 CO 0.60 0.45 0.48 0.28 0.09 0.00 0.00 178.44 180.33 2gbj h SER 65 N 0.94 0.92 -0.71 -0.43 0.02 -1.69 -0.48 113.55 112.11 2gbj h SER 65 Ca 0.50 -0.06 0.15 0.00 -0.84 0.00 0.00 61.79 61.54 2gbj h SER 65 Cb 0.53 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 2gbj h SER 65 CO -0.28 0.70 0.48 0.44 -1.14 0.00 0.00 176.83 177.04 2gbj h ASP 66 N 1.06 0.31 -0.56 3.07 3.32 -1.69 -0.88 116.42 121.03 2gbj h ASP 66 Ca 0.28 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.35 2gbj h ASP 66 Cb -0.06 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2gbj h ASP 66 CO -0.05 0.16 0.00 -1.22 -1.72 0.00 0.00 179.24 176.41 2gbj n TYR 67 N -4.45 0.75 -3.78 4.55 4.01 -0.87 -4.94 117.16 112.42 2gbj n TYR 67 Ca 0.14 -0.37 -0.27 0.00 -0.16 0.00 0.00 57.90 57.23 2gbj n TYR 67 Cb 0.55 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.63 2gbj n TYR 67 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2gbj n ASN 68 N 1.27 -4.60 -4.50 7.72 4.05 -0.34 -4.94 115.26 113.92 2gbj n ASN 68 Ca 0.20 -0.71 -0.43 0.00 0.45 0.00 0.00 54.58 54.09 2gbj n ASN 68 Cb 0.52 -4.27 -0.08 0.00 1.23 0.00 0.00 39.78 37.17 2gbj n ASN 68 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2gbj s ILE 69 N -3.36 5.05 0.52 -1.44 1.01 -0.24 -5.02 121.20 117.72 2gbj s ILE 69 Ca 0.52 -0.20 0.07 0.00 0.00 0.00 0.00 60.65 61.04 2gbj s ILE 69 Cb -0.25 -4.04 0.03 0.00 0.01 0.00 0.00 42.46 38.21 2gbj s ILE 69 CO 0.80 -0.41 0.50 -1.10 0.00 0.00 0.00 174.94 174.73 2gbj s GLN 70 N 2.25 2.35 0.38 2.79 1.11 -1.26 -4.44 119.66 122.84 2gbj s GLN 70 Ca 0.14 -1.78 -0.26 0.00 0.01 0.00 0.00 55.36 53.46 2gbj s GLN 70 Cb -0.16 -2.33 -0.11 0.00 -1.01 0.00 0.00 33.01 29.40 2gbj s GLN 70 CO 0.14 -0.56 1.22 0.36 0.01 0.00 0.00 175.29 176.46 2gbj n LYS 71 N -1.83 1.89 -0.98 2.91 2.85 -1.26 -2.09 118.16 119.64 2gbj n LYS 71 Ca 0.04 0.67 0.00 0.00 -1.05 0.00 0.00 58.31 57.97 2gbj n LYS 71 Cb 0.63 -2.28 0.00 0.00 -0.65 0.00 0.00 35.03 32.73 2gbj n LYS 71 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2gbj n GLU 72 N 0.31 -0.26 -1.82 -1.58 1.02 0.56 -5.02 120.64 113.86 2gbj n GLU 72 Ca 0.06 0.06 -0.34 0.00 -0.02 0.00 0.00 57.16 56.93 2gbj n GLU 72 Cb 0.38 -3.22 0.05 0.00 -0.02 0.00 0.00 31.44 28.62 2gbj n GLU 72 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2gbj s SER 73 N -2.17 5.05 -0.17 1.62 0.01 -0.89 -4.77 113.70 112.38 2gbj s SER 73 Ca 0.00 2.15 -0.01 0.00 1.31 0.00 0.00 55.95 59.40 2gbj s SER 73 Cb 0.00 -2.57 -0.00 0.00 0.21 0.00 0.00 66.02 63.66 2gbj s SER 73 CO 0.00 -1.68 -0.13 -0.89 0.41 0.00 0.00 173.24 170.96 2gbj s THR 74 N -2.07 2.81 0.16 1.44 2.01 -1.26 -0.69 115.64 118.04 2gbj s THR 74 Ca 0.71 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 62.02 2gbj s THR 74 Cb -0.24 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 2gbj s THR 74 CO 0.38 0.50 0.30 -0.76 -0.69 0.00 0.00 174.62 174.35 2gbj s LEU 75 N 1.01 4.32 -0.12 4.42 1.43 0.38 -4.90 118.68 125.23 2gbj s LEU 75 Ca -0.01 0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 53.27 2gbj s LEU 75 Cb -0.15 -2.95 -0.03 0.00 0.03 0.00 0.00 46.19 43.09 2gbj s LEU 75 CO -0.02 0.04 -0.03 -1.00 0.23 0.00 0.00 176.35 175.56 2gbj s HIS 76 N -1.76 3.06 -0.12 0.29 3.76 -0.12 -0.71 115.29 119.68 2gbj s HIS 76 Ca 0.35 -0.08 -0.03 0.00 -0.15 0.00 0.00 55.06 55.15 2gbj s HIS 76 Cb -0.11 -1.87 -0.03 0.00 1.11 0.00 0.00 32.58 31.68 2gbj s HIS 76 CO 0.29 0.18 -0.02 -1.17 -0.85 0.00 0.00 174.74 173.17 2gbj s LEU 77 N -0.21 3.37 -0.05 0.89 2.96 0.31 -0.65 118.68 125.31 2gbj s LEU 77 Ca 0.04 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 53.96 2gbj s LEU 77 Cb -0.13 -1.79 0.00 0.00 0.50 0.00 0.00 46.19 44.78 2gbj s LEU 77 CO 0.02 0.26 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.48 2gbj s VAL 78 N -0.17 1.22 0.17 1.68 1.01 -0.16 -1.64 120.40 122.51 2gbj s VAL 78 Ca 0.04 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 2gbj s VAL 78 Cb -0.13 -1.08 -0.07 0.00 0.00 0.00 0.00 36.38 35.10 2gbj s VAL 78 CO 0.02 0.37 1.08 -0.22 0.00 0.00 0.00 175.10 176.35 2gbj s LEU 79 N 0.34 4.49 0.02 3.92 2.96 -1.26 -0.49 118.68 128.67 2gbj s LEU 79 Ca -0.09 2.05 0.07 0.00 -0.22 0.00 0.00 54.13 55.94 2gbj s LEU 79 Cb -0.13 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.94 2gbj s LEU 79 CO 0.03 -0.20 -0.21 0.00 -1.32 0.00 0.00 176.35 174.65 2gbj s ARG 80 N -0.31 1.51 0.39 1.98 1.70 0.01 -4.89 118.95 119.35 2gbj s ARG 80 Ca 0.49 -0.89 -0.25 0.00 -0.47 0.00 0.00 55.73 54.61 2gbj s ARG 80 Cb -0.28 -1.58 -0.09 0.00 -0.57 0.00 0.00 34.95 32.43 2gbj s ARG 80 CO 0.34 0.41 1.11 -0.51 -1.08 0.00 0.00 175.30 175.57 2gbj s LEU 81 N -0.96 4.19 -0.02 -1.89 1.43 -1.26 -4.48 118.68 115.68 2gbj s LEU 81 Ca 0.08 2.20 0.03 0.00 -1.03 0.00 0.00 54.13 55.41 2gbj s LEU 81 Cb -0.09 -4.07 -0.25 0.00 0.03 0.00 0.00 46.19 41.81 2gbj s LEU 81 CO 0.01 -0.57 0.76 0.08 0.23 0.00 0.00 176.35 176.86 2gbj h ARG 82 N 2.64 0.13 0.00 1.70 0.11 -1.97 -3.48 114.38 113.51 2gbj h ARG 82 Ca -0.48 -0.23 0.01 0.00 0.10 0.00 0.00 59.98 59.38 2gbj h ARG 82 Cb 1.22 0.08 -0.00 0.00 1.11 0.00 0.00 29.97 32.39 2gbj h ARG 82 CO 0.63 0.89 -0.02 0.41 0.10 0.00 0.00 179.97 181.98 2gbj n GLY 83 N 1.64 -1.80 0.00 0.08 0.00 -1.26 -5.19 105.19 98.66 2gbj n GLY 83 Ca -0.17 -1.31 0.15 0.00 0.00 0.00 0.00 46.02 44.69 2gbj n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93