#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gbm s GLN 2 N 0.00 3.94 0.32 3.17 -0.21 -1.26 -0.27 119.66 125.35 2gbm s GLN 2 Ca 0.00 0.08 0.05 0.00 0.02 0.00 0.00 55.36 55.51 2gbm s GLN 2 Cb 0.00 -3.31 -0.06 0.00 1.00 0.00 0.00 33.01 30.64 2gbm s GLN 2 CO 0.00 0.51 0.01 0.96 -2.12 0.00 0.00 175.29 174.65 2gbm s ILE 3 N -0.34 1.47 0.00 1.08 -4.36 -0.22 0.52 121.20 119.36 2gbm s ILE 3 Ca 0.17 -2.04 0.07 0.00 -0.26 0.00 0.00 60.65 58.59 2gbm s ILE 3 Cb -0.13 -2.70 -0.03 0.00 1.25 0.00 0.00 42.46 40.85 2gbm s ILE 3 CO 0.06 -0.11 -0.22 -0.36 0.24 0.00 0.00 174.94 174.55 2gbm s PHE 4 N -3.11 2.45 -0.10 1.37 0.08 -0.11 -0.81 117.98 117.75 2gbm s PHE 4 Ca 0.34 -0.34 0.02 0.00 0.12 0.00 0.00 56.93 57.07 2gbm s PHE 4 Cb 0.07 -1.49 0.01 0.00 -0.57 0.00 0.00 43.02 41.04 2gbm s PHE 4 CO 0.15 0.11 -0.15 0.08 -0.10 0.00 0.00 175.22 175.31 2gbm s VAL 5 N -0.75 1.41 -0.26 -0.44 1.01 -0.03 -1.08 120.40 120.25 2gbm s VAL 5 Ca 0.12 -0.60 -0.26 0.00 0.00 0.00 0.00 61.98 61.24 2gbm s VAL 5 Cb -0.10 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 35.00 2gbm s VAL 5 CO 0.01 0.42 0.89 -0.75 0.00 0.00 0.00 175.10 175.67 2gbm s LYS 6 N 0.89 4.13 0.65 2.72 2.47 0.07 -1.20 119.74 129.47 2gbm s LYS 6 Ca -0.09 0.95 0.01 0.00 -1.56 0.00 0.00 55.97 55.29 2gbm s LYS 6 Cb -0.15 -3.67 0.09 0.00 -1.46 0.00 0.00 37.83 32.64 2gbm s LYS 6 CO 0.00 -0.62 0.90 0.95 0.16 0.00 0.00 175.35 176.74 2gbm s THR 7 N 3.04 2.30 0.51 3.43 -4.23 0.44 -1.03 115.64 120.10 2gbm s THR 7 Ca 0.37 -0.68 0.21 0.00 -1.18 0.00 0.00 61.69 60.41 2gbm s THR 7 Cb -0.15 -2.62 0.28 0.00 1.34 0.00 0.00 72.50 71.35 2gbm s THR 7 CO 0.09 0.00 2.14 -0.07 -0.54 0.00 0.00 174.62 176.24 2gbm h LEU 8 N -0.25 0.00 -0.61 4.79 3.38 -1.89 -0.43 115.31 120.31 2gbm h LEU 8 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2gbm h LEU 8 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2gbm h LEU 8 CO 0.44 0.05 -0.02 0.35 0.09 0.00 0.00 178.44 179.35 2gbm n THR 9 N -4.19 0.00 -0.46 0.22 -2.24 -1.26 -4.92 114.28 101.43 2gbm n THR 9 Ca -0.03 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2gbm n THR 9 Cb 0.14 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 2gbm n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gbm n GLY 10 N 1.14 0.74 3.88 3.38 0.00 -0.17 -5.05 105.19 109.10 2gbm n GLY 10 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 2gbm n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gbm s LYS 11 N -0.54 3.62 -0.18 1.61 -2.85 -1.26 -4.73 119.74 115.41 2gbm s LYS 11 Ca 0.00 0.57 -0.02 0.00 -1.00 0.00 0.00 55.97 55.52 2gbm s LYS 11 Cb 0.00 -2.20 -0.01 0.00 -2.06 0.00 0.00 37.83 33.56 2gbm s LYS 11 CO 0.00 -0.40 -0.09 0.99 0.10 0.00 0.00 175.35 175.95 2gbm s THR 12 N -2.94 3.15 0.17 3.79 2.01 -1.26 -0.42 115.64 120.14 2gbm s THR 12 Ca 0.53 -0.59 0.10 0.00 0.31 0.00 0.00 61.69 62.03 2gbm s THR 12 Cb -0.11 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.98 2gbm s THR 12 CO 0.48 0.48 -0.16 0.27 -0.69 0.00 0.00 174.62 174.99 2gbm s ILE 13 N 0.98 2.83 -0.21 1.82 -4.36 -0.34 -4.95 121.20 116.98 2gbm s ILE 13 Ca -0.01 -1.74 -0.04 0.00 -0.26 0.00 0.00 60.65 58.60 2gbm s ILE 13 Cb -0.15 -2.36 -0.01 0.00 1.25 0.00 0.00 42.46 41.19 2gbm s ILE 13 CO -0.01 -0.06 -0.04 -0.89 0.24 0.00 0.00 174.94 174.18 2gbm s THR 14 N -1.55 3.45 0.03 8.37 2.01 -1.26 -0.85 115.64 125.83 2gbm s THR 14 Ca 0.22 -0.48 0.03 0.00 0.31 0.00 0.00 61.69 61.77 2gbm s THR 14 Cb -0.09 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 2gbm s THR 14 CO 0.12 0.43 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.70 2gbm s LEU 15 N 1.27 3.39 -0.19 4.42 1.43 0.01 -4.95 118.68 124.06 2gbm s LEU 15 Ca 0.03 -0.10 -0.15 0.00 -1.03 0.00 0.00 54.13 52.88 2gbm s LEU 15 Cb -0.14 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 2gbm s LEU 15 CO -0.01 0.25 0.38 -0.70 0.23 0.00 0.00 176.35 176.49 2gbm s GLU 16 N -1.73 4.19 0.23 1.70 2.56 -1.26 -1.05 118.70 123.33 2gbm s GLU 16 Ca 0.21 0.18 -0.06 0.00 0.00 0.00 0.00 54.97 55.30 2gbm s GLU 16 Cb -0.11 -3.52 -0.02 0.00 2.00 0.00 0.00 34.13 32.48 2gbm s GLU 16 CO 0.12 0.02 0.30 0.14 -0.56 0.00 0.00 175.26 175.27 2gbm s VAL 17 N 1.14 0.00 0.10 3.70 -7.23 0.63 -4.93 120.40 113.81 2gbm s VAL 17 Ca 0.19 -1.74 0.09 0.00 -1.81 0.00 0.00 61.98 58.71 2gbm s VAL 17 Cb -0.14 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 2gbm s VAL 17 CO 0.07 0.00 -0.22 -1.61 -0.31 0.00 0.00 175.10 173.04 2gbm s GLU 18 N -4.01 1.72 0.56 4.82 0.41 -1.26 -0.03 118.70 120.92 2gbm s GLU 18 Ca 0.32 -1.19 0.26 0.00 -0.41 0.00 0.00 54.97 53.95 2gbm s GLU 18 Cb 0.03 -2.05 1.51 0.00 -1.78 0.00 0.00 34.13 31.84 2gbm s GLU 18 CO 0.12 0.49 2.05 -1.35 -0.49 0.00 0.00 175.26 176.07 2gbm h PRO 19 N 4.03 0.00 0.00 0.39 0.11 -1.97 -0.25 132.00 134.31 2gbm h PRO 19 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2gbm h PRO 19 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2gbm h PRO 19 CO 0.44 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.10 2gbm n SER 20 N -4.06 0.00 -4.75 -2.05 3.41 -1.26 -1.21 113.62 103.70 2gbm n SER 20 Ca 0.05 -0.37 -0.41 0.00 -0.26 0.00 0.00 58.87 57.88 2gbm n SER 20 Cb 0.43 -0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 2gbm n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2gbm s ASP 21 N -2.38 6.94 0.69 4.04 1.11 -0.11 -4.82 116.67 122.14 2gbm s ASP 21 Ca 0.32 2.43 -0.12 0.00 0.18 0.00 0.00 52.55 55.36 2gbm s ASP 21 Cb 0.19 -2.62 0.01 0.00 1.07 0.00 0.00 42.92 41.57 2gbm s ASP 21 CO 0.39 -0.46 1.07 0.42 1.18 0.00 0.00 175.17 177.77 2gbm s THR 22 N -0.36 3.74 0.31 -1.27 -4.23 -1.26 -1.94 115.64 110.63 2gbm s THR 22 Ca 0.53 0.64 -0.00 0.00 -1.18 0.00 0.00 61.69 61.67 2gbm s THR 22 Cb -0.36 -3.25 0.27 0.00 1.34 0.00 0.00 72.50 70.49 2gbm s THR 22 CO 0.42 -0.67 1.97 0.40 -0.54 0.00 0.00 174.62 176.20 2gbm h ILE 23 N -0.51 1.18 -0.64 2.99 1.08 -0.88 -1.60 117.51 119.13 2gbm h ILE 23 Ca -0.45 -0.36 0.02 0.00 -0.39 0.00 0.00 64.86 63.69 2gbm h ILE 23 Cb 1.22 0.05 -0.04 0.00 -3.07 0.00 0.00 36.82 34.98 2gbm h ILE 23 CO 0.55 0.19 0.41 -0.08 -0.69 0.00 0.00 178.15 178.53 2gbm h GLU 24 N 1.04 0.80 -0.71 2.37 4.57 -1.45 -1.64 114.58 119.56 2gbm h GLU 24 Ca 0.30 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.41 2gbm h GLU 24 Cb -0.07 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.30 2gbm h GLU 24 CO -0.07 0.53 0.37 -0.97 -1.18 0.00 0.00 179.01 177.69 2gbm h ASN 25 N 0.82 0.89 -0.58 1.04 -0.73 -1.60 -1.85 115.58 113.56 2gbm h ASN 25 Ca 0.25 -0.08 -0.02 0.00 1.87 0.00 0.00 56.30 58.32 2gbm h ASN 25 Cb -0.03 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.31 2gbm h ASN 25 CO -0.08 0.73 0.30 0.58 -0.37 0.00 0.00 177.43 178.58 2gbm h VAL 26 N 0.99 1.20 -0.88 2.57 2.07 -0.48 -1.57 116.25 120.15 2gbm h VAL 26 Ca 0.25 -0.54 0.05 0.00 0.82 0.00 0.00 66.70 67.28 2gbm h VAL 26 Cb 0.05 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.25 2gbm h VAL 26 CO -0.04 0.22 0.56 0.11 0.02 0.00 0.00 177.57 178.44 2gbm h LYS 27 N 0.79 1.01 -0.94 1.57 1.57 -0.81 -1.52 116.57 118.24 2gbm h LYS 27 Ca 0.20 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.96 2gbm h LYS 27 Cb 0.08 -0.23 -0.06 0.00 0.08 0.00 0.00 32.23 32.11 2gbm h LYS 27 CO -0.03 0.67 0.61 0.00 -0.57 0.00 0.00 179.45 180.13 2gbm h ALA 28 N 1.39 1.26 -0.07 3.86 0.00 -0.82 -1.83 119.26 123.05 2gbm h ALA 28 Ca 0.37 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.11 2gbm h ALA 28 Cb 0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2gbm h ALA 28 CO -0.15 0.46 -0.54 0.87 0.00 0.00 0.00 179.25 179.89 2gbm h LYS 29 N 1.17 0.21 -0.44 0.00 1.57 -0.32 -1.37 116.57 117.39 2gbm h LYS 29 Ca 0.38 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.98 2gbm h LYS 29 Cb 0.04 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2gbm h LYS 29 CO -0.13 0.70 0.06 0.82 -0.57 0.00 0.00 179.45 180.33 2gbm h ILE 30 N 0.17 1.25 -0.40 1.86 2.04 -0.90 -1.22 117.51 120.30 2gbm h ILE 30 Ca 0.00 -0.91 -0.14 0.00 1.00 0.00 0.00 64.86 64.81 2gbm h ILE 30 Cb 1.01 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 2gbm h ILE 30 CO 0.08 0.32 -0.31 -0.61 0.00 0.00 0.00 178.15 177.63 2gbm h GLN 31 N 0.59 0.88 -0.87 2.37 4.15 -1.13 0.46 115.11 121.55 2gbm h GLN 31 Ca 0.13 -0.42 0.04 0.00 0.77 0.00 0.00 58.65 59.17 2gbm h GLN 31 Cb 0.39 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.02 2gbm h GLN 31 CO 0.01 1.06 0.56 -0.44 -1.93 0.00 0.00 178.83 178.09 2gbm h ASP 32 N 0.74 0.92 1.31 -0.69 3.32 -1.12 -2.83 116.42 118.08 2gbm h ASP 32 Ca 0.08 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2gbm h ASP 32 Cb 0.88 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.22 2gbm h ASP 32 CO 0.08 0.63 -0.26 0.50 -1.72 0.00 0.00 179.24 178.47 2gbm h LYS 33 N 1.08 0.00 -0.01 3.56 1.63 -0.81 -3.14 116.57 118.88 2gbm h LYS 33 Ca 0.35 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.15 2gbm h LYS 33 Cb 0.03 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 2gbm h LYS 33 CO -0.13 0.00 -0.08 0.39 -3.45 0.00 0.00 179.45 176.19 2gbm n GLU 34 N -2.33 1.19 0.00 1.90 1.02 0.12 -5.04 120.64 117.50 2gbm n GLU 34 Ca 0.04 -0.58 0.00 0.00 -0.02 0.00 0.00 57.16 56.60 2gbm n GLU 34 Cb 0.45 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 2gbm n GLU 34 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gbm n GLY 35 N 1.21 -0.12 0.50 0.62 0.00 -1.16 -4.09 105.19 102.14 2gbm n GLY 35 Ca 0.17 -1.15 0.34 0.00 0.00 0.00 0.00 46.02 45.39 2gbm n GLY 35 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2gbm h GLY 36 N 0.00 0.78 -2.66 -0.02 0.00 -1.91 -3.45 103.07 95.81 2gbm h GLY 36 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2gbm h GLY 36 CO 0.00 -0.17 0.00 0.61 0.00 0.00 0.00 176.54 176.98 2gbm n GLY 37 N -1.62 -0.58 0.00 4.60 0.00 -1.26 -4.80 105.19 101.53 2gbm n GLY 37 Ca 0.31 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2gbm n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbm n GLY 38 N -0.43 1.25 0.13 -0.02 0.00 0.11 -4.50 105.19 101.73 2gbm n GLY 38 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2gbm n GLY 38 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2gbm h GLY 39 N 0.00 0.39 1.43 -0.02 0.00 -1.87 -3.18 103.07 99.82 2gbm h GLY 39 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.47 2gbm h GLY 39 CO 0.00 0.75 -0.40 0.61 0.00 0.00 0.00 176.54 177.50 2gbm n GLY 40 N 1.33 -1.49 0.00 4.60 0.00 -1.26 -4.97 105.19 103.39 2gbm n GLY 40 Ca -0.08 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2gbm n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbm n GLY 41 N 1.35 -1.08 0.00 -0.02 0.00 -1.20 -5.16 105.19 99.08 2gbm n GLY 41 Ca 0.04 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.75 2gbm n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbm n GLY 42 N 0.00 4.03 3.21 -0.02 0.00 -1.26 -4.59 105.19 106.55 2gbm n GLY 42 Ca 0.00 -1.80 0.01 0.00 0.00 0.00 0.00 46.02 44.23 2gbm n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gbm s GLY 43 N 0.00 -0.84 -0.18 -0.02 0.00 -1.26 -0.71 107.32 104.31 2gbm s GLY 43 Ca 0.00 1.79 -0.24 0.00 0.00 0.00 0.00 44.72 46.26 2gbm s GLY 43 CO 0.00 3.18 0.79 -0.42 0.00 0.00 0.00 173.10 176.65 2gbm s ILE 44 N 2.81 4.91 0.56 0.90 -1.09 -1.26 -5.01 121.20 123.01 2gbm s ILE 44 Ca 0.14 1.54 -0.21 0.00 -2.23 0.00 0.00 60.65 59.89 2gbm s ILE 44 Cb -0.14 -4.10 -0.05 0.00 -1.58 0.00 0.00 42.46 36.59 2gbm s ILE 44 CO -0.20 0.04 1.25 -2.65 -1.23 0.00 0.00 174.94 172.15 2gbm n PRO 45 N 5.20 1.45 -0.29 2.79 -0.02 -1.26 -4.90 135.00 137.97 2gbm n PRO 45 Ca 0.03 0.54 0.17 0.00 -2.02 0.00 0.00 63.50 62.22 2gbm n PRO 45 Cb 0.49 -2.44 0.45 0.00 -0.02 0.00 0.00 33.50 31.97 2gbm n PRO 45 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2gbm h PRO 46 N 1.17 0.52 0.00 0.52 0.11 -1.96 -1.45 132.00 130.91 2gbm h PRO 46 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2gbm h PRO 46 Cb 1.32 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2gbm h PRO 46 CO 0.55 0.34 0.00 -0.44 -0.21 0.00 0.00 178.00 178.25 2gbm h ASP 47 N 0.53 0.00 -0.57 -2.05 3.32 -2.03 -2.09 116.42 113.53 2gbm h ASP 47 Ca 0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.57 2gbm h ASP 47 Cb 1.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2gbm h ASP 47 CO -0.25 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.27 2gbm n GLN 48 N -2.75 3.04 -4.40 3.56 6.02 -0.55 -4.89 117.38 117.41 2gbm n GLN 48 Ca 0.00 -2.34 -0.24 0.00 -0.01 0.00 0.00 57.00 54.41 2gbm n GLN 48 Cb 0.23 -1.70 -0.09 0.00 1.02 0.00 0.00 30.24 29.70 2gbm n GLN 48 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2gbm s GLN 49 N -1.62 1.90 0.02 -1.09 -0.21 -0.79 -0.20 119.66 117.68 2gbm s GLN 49 Ca 0.42 -1.62 0.00 0.00 0.02 0.00 0.00 55.36 54.18 2gbm s GLN 49 Cb 0.26 -1.92 -0.02 0.00 1.00 0.00 0.00 33.01 32.33 2gbm s GLN 49 CO 0.23 0.35 -0.02 1.03 -2.12 0.00 0.00 175.29 174.75 2gbm s ARG 50 N -3.51 0.25 -0.12 2.91 0.52 0.15 -4.66 118.95 114.48 2gbm s ARG 50 Ca 0.30 -0.48 -0.07 0.00 -0.52 0.00 0.00 55.73 54.96 2gbm s ARG 50 Cb -0.06 0.07 -0.04 0.00 0.52 0.00 0.00 34.95 35.45 2gbm s ARG 50 CO 0.17 -0.04 0.15 -0.51 0.02 0.00 0.00 175.30 175.09 2gbm s LEU 51 N -1.14 4.39 -0.05 2.53 1.43 -1.26 -0.78 118.68 123.80 2gbm s LEU 51 Ca -0.12 0.48 0.05 0.00 -1.03 0.00 0.00 54.13 53.51 2gbm s LEU 51 Cb -0.08 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 2gbm s LEU 51 CO -0.01 0.40 -0.22 -0.63 0.23 0.00 0.00 176.35 176.12 2gbm s ILE 52 N -0.97 1.81 -0.02 -0.59 -1.09 0.19 -1.21 121.20 119.32 2gbm s ILE 52 Ca 0.15 -0.93 0.00 0.00 -2.23 0.00 0.00 60.65 57.64 2gbm s ILE 52 Cb -0.12 -1.54 0.02 0.00 -1.58 0.00 0.00 42.46 39.24 2gbm s ILE 52 CO 0.04 0.51 -0.00 0.12 -1.23 0.00 0.00 174.94 174.38 2gbm s PHE 53 N -0.09 0.24 -1.46 3.97 5.36 -0.57 -1.79 117.98 123.66 2gbm s PHE 53 Ca -0.04 0.01 -0.11 0.00 -0.96 0.00 0.00 56.93 55.83 2gbm s PHE 53 Cb -0.13 -0.32 0.05 0.00 -0.34 0.00 0.00 43.02 42.29 2gbm s PHE 53 CO 0.03 -0.09 1.05 0.00 -1.46 0.00 0.00 175.22 174.75 2gbm n ALA 54 N 3.88 -1.34 -1.01 11.12 0.00 -1.26 -1.29 120.51 130.61 2gbm n ALA 54 Ca -0.24 0.25 -0.00 0.00 0.00 0.00 0.00 53.44 53.45 2gbm n ALA 54 Cb 0.52 -4.72 -0.00 0.00 0.00 0.00 0.00 19.45 15.25 2gbm n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbm n GLY 55 N -1.79 0.28 3.38 0.00 0.00 -1.26 -5.00 105.19 100.80 2gbm n GLY 55 Ca 0.01 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2gbm n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gbm s LYS 56 N -1.00 1.80 -0.10 1.61 -0.14 -0.41 -5.09 119.74 116.41 2gbm s LYS 56 Ca 0.00 -1.12 -0.30 0.00 -1.36 0.00 0.00 55.97 53.19 2gbm s LYS 56 Cb 0.00 -2.01 -0.01 0.00 -1.68 0.00 0.00 37.83 34.12 2gbm s LYS 56 CO 0.00 0.51 1.01 -1.14 -0.76 0.00 0.00 175.35 174.97 2gbm s GLN 57 N -1.42 4.43 0.08 1.68 2.00 -1.26 -1.51 119.66 123.66 2gbm s GLN 57 Ca 0.13 1.40 -0.23 0.00 -2.00 0.00 0.00 55.36 54.66 2gbm s GLN 57 Cb -0.10 -3.54 -0.07 0.00 0.80 0.00 0.00 33.01 30.10 2gbm s GLN 57 CO 0.03 -0.31 0.68 -0.51 -0.50 0.00 0.00 175.29 174.69 2gbm s LEU 58 N 1.97 4.51 0.01 3.68 1.43 -0.35 -4.98 118.68 124.95 2gbm s LEU 58 Ca 0.49 1.41 -0.21 0.00 -1.03 0.00 0.00 54.13 54.79 2gbm s LEU 58 Cb -0.19 -3.10 -0.06 0.00 0.03 0.00 0.00 46.19 42.88 2gbm s LEU 58 CO 0.18 0.16 0.60 -1.61 0.23 0.00 0.00 176.35 175.92 2gbm s GLU 59 N -0.70 4.31 0.54 1.70 0.41 -1.26 -4.58 118.70 119.12 2gbm s GLU 59 Ca 0.34 0.76 0.26 0.00 -0.41 0.00 0.00 54.97 55.92 2gbm s GLU 59 Cb -0.21 -3.32 1.54 0.00 -1.78 0.00 0.00 34.13 30.36 2gbm s GLU 59 CO 0.22 0.41 2.14 -0.44 -0.49 0.00 0.00 175.26 177.10 2gbm h ASP 60 N 5.43 0.00 0.49 -0.19 3.32 -1.97 -2.18 116.42 121.32 2gbm h ASP 60 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2gbm h ASP 60 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2gbm h ASP 60 CO 0.69 0.07 -0.13 0.61 -1.72 0.00 0.00 179.24 178.76 2gbm n GLY 61 N -1.02 -1.09 4.00 2.75 0.00 -1.26 -1.29 105.19 107.28 2gbm n GLY 61 Ca -0.02 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 2gbm n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gbm s ARG 62 N -2.61 2.63 0.34 1.61 1.81 -0.82 -4.92 118.95 116.99 2gbm s ARG 62 Ca 0.25 -1.14 0.08 0.00 -1.72 0.00 0.00 55.73 53.19 2gbm s ARG 62 Cb 0.20 -2.65 -0.04 0.00 -0.45 0.00 0.00 34.95 32.01 2gbm s ARG 62 CO 0.51 -0.53 0.20 0.95 -0.68 0.00 0.00 175.30 175.75 2gbm s THR 63 N -2.55 3.22 0.17 0.02 -4.23 -1.26 -0.71 115.64 110.31 2gbm s THR 63 Ca 0.57 -1.57 -0.14 0.00 -1.18 0.00 0.00 61.69 59.37 2gbm s THR 63 Cb -0.09 -3.06 0.06 0.00 1.34 0.00 0.00 72.50 70.75 2gbm s THR 63 CO 0.36 -0.18 1.76 -0.07 -0.54 0.00 0.00 174.62 175.95 2gbm h LEU 64 N 1.43 0.23 -1.45 4.79 3.38 -1.27 -2.16 115.31 120.26 2gbm h LEU 64 Ca -0.44 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 2gbm h LEU 64 Cb 1.25 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 2gbm h LEU 64 CO 0.61 0.17 0.31 -1.28 0.09 0.00 0.00 178.44 178.35 2gbm h SER 65 N 0.38 0.60 -0.04 -0.43 0.87 -1.40 -1.53 113.55 112.00 2gbm h SER 65 Ca 0.20 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.75 2gbm h SER 65 Cb 0.16 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2gbm h SER 65 CO -0.18 0.46 0.03 0.44 -0.53 0.00 0.00 176.83 177.05 2gbm h ASP 66 N 0.70 0.00 -0.55 6.23 3.32 -1.67 -1.70 116.42 122.75 2gbm h ASP 66 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2gbm h ASP 66 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2gbm h ASP 66 CO -0.04 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.26 2gbm n TYR 67 N -4.19 0.86 -3.08 4.55 4.01 -0.67 -4.97 117.16 113.67 2gbm n TYR 67 Ca -0.02 -0.54 -0.22 0.00 -0.16 0.00 0.00 57.90 56.96 2gbm n TYR 67 Cb 0.13 -0.07 0.04 0.00 -0.31 0.00 0.00 39.34 39.14 2gbm n TYR 67 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2gbm n ASN 68 N 1.01 -6.08 -4.65 7.72 3.02 -0.64 -4.95 115.26 110.69 2gbm n ASN 68 Ca 0.20 -0.32 -0.42 0.00 -0.03 0.00 0.00 54.58 54.01 2gbm n ASN 68 Cb 0.60 -4.87 -0.03 0.00 -0.61 0.00 0.00 39.78 34.87 2gbm n ASN 68 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2gbm s ILE 69 N -3.19 4.77 0.47 2.41 1.01 -0.67 -5.01 121.20 120.99 2gbm s ILE 69 Ca 0.34 1.79 0.05 0.00 0.00 0.00 0.00 60.65 62.83 2gbm s ILE 69 Cb -0.15 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.10 2gbm s ILE 69 CO 0.42 -0.11 0.21 -1.10 0.00 0.00 0.00 174.94 174.35 2gbm s GLN 70 N 2.93 2.23 0.39 2.79 -1.52 -1.26 -4.54 119.66 120.68 2gbm s GLN 70 Ca 0.39 -2.02 -0.26 0.00 -1.95 0.00 0.00 55.36 51.52 2gbm s GLN 70 Cb -0.15 -1.92 -0.11 0.00 -0.22 0.00 0.00 33.01 30.61 2gbm s GLN 70 CO 0.07 -0.32 1.24 0.36 -0.25 0.00 0.00 175.29 176.39 2gbm n LYS 71 N -1.40 1.90 -1.06 2.91 2.85 -1.26 -2.02 118.16 120.07 2gbm n LYS 71 Ca -0.05 0.67 -0.02 0.00 -1.05 0.00 0.00 58.31 57.86 2gbm n LYS 71 Cb 0.65 -2.31 -0.01 0.00 -0.65 0.00 0.00 35.03 32.71 2gbm n LYS 71 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2gbm n GLU 72 N 0.23 -1.36 -1.55 -1.58 1.02 0.18 -4.99 120.64 112.59 2gbm n GLU 72 Ca 0.06 0.45 -0.34 0.00 -0.02 0.00 0.00 57.16 57.31 2gbm n GLU 72 Cb 0.38 -4.52 0.08 0.00 -0.02 0.00 0.00 31.44 27.36 2gbm n GLU 72 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2gbm s SER 73 N -2.12 4.44 -0.16 1.62 0.01 -0.86 -4.72 113.70 111.91 2gbm s SER 73 Ca 0.00 2.32 -0.01 0.00 1.31 0.00 0.00 55.95 59.57 2gbm s SER 73 Cb 0.00 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 2gbm s SER 73 CO 0.00 -2.09 -0.11 -0.89 0.41 0.00 0.00 173.24 170.56 2gbm s THR 74 N -1.97 3.09 0.18 1.44 2.01 -1.26 -0.93 115.64 118.19 2gbm s THR 74 Ca 0.74 -0.63 0.05 0.00 0.31 0.00 0.00 61.69 62.16 2gbm s THR 74 Cb -0.28 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 2gbm s THR 74 CO 0.43 0.49 0.16 -0.76 -0.69 0.00 0.00 174.62 174.26 2gbm s LEU 75 N 0.77 3.86 -0.12 4.42 1.43 -0.24 -4.85 118.68 123.95 2gbm s LEU 75 Ca -0.04 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 2gbm s LEU 75 Cb -0.15 -2.45 -0.01 0.00 0.03 0.00 0.00 46.19 43.60 2gbm s LEU 75 CO 0.01 0.05 -0.15 -1.00 0.23 0.00 0.00 176.35 175.49 2gbm s HIS 76 N -1.80 2.76 -0.13 0.29 3.76 -0.74 -0.75 115.29 118.69 2gbm s HIS 76 Ca 0.32 -0.72 -0.19 0.00 -0.15 0.00 0.00 55.06 54.31 2gbm s HIS 76 Cb -0.10 -1.82 -0.04 0.00 1.11 0.00 0.00 32.58 31.74 2gbm s HIS 76 CO 0.24 -0.25 0.54 -1.17 -0.85 0.00 0.00 174.74 173.25 2gbm s LEU 77 N 0.35 4.25 0.27 0.89 2.96 -0.20 -0.63 118.68 126.57 2gbm s LEU 77 Ca -0.12 0.87 0.03 0.00 -0.22 0.00 0.00 54.13 54.68 2gbm s LEU 77 Cb -0.16 -2.79 -0.06 0.00 0.50 0.00 0.00 46.19 43.68 2gbm s LEU 77 CO 0.06 -0.08 0.05 0.68 -1.32 0.00 0.00 176.35 175.74 2gbm s VAL 78 N 0.94 0.94 0.30 1.68 -7.23 0.04 -4.29 120.40 112.78 2gbm s VAL 78 Ca 0.28 -2.01 -0.24 0.00 -1.81 0.00 0.00 61.98 58.20 2gbm s VAL 78 Cb -0.16 -2.58 -0.09 0.00 0.56 0.00 0.00 36.38 34.11 2gbm s VAL 78 CO 0.12 -0.12 0.88 -0.76 -0.31 0.00 0.00 175.10 174.91 2gbm s LEU 79 N -3.37 4.33 0.00 1.32 1.43 -1.26 -0.68 118.68 120.45 2gbm s LEU 79 Ca 0.34 1.72 0.29 0.00 -1.03 0.00 0.00 54.13 55.44 2gbm s LEU 79 Cb 0.07 -3.92 1.28 0.00 0.03 0.00 0.00 46.19 43.66 2gbm s LEU 79 CO 0.12 -0.05 1.87 -1.14 0.23 0.00 0.00 176.35 177.39