#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 3.58 0.22 3.17 -0.21 -1.26 -0.99 119.66 124.17 2gbm s GLN 2 Ca 0.00 -0.17 0.05 0.00 0.02 0.00 0.00 55.36 55.26 2gbm s GLN 2 Cb 0.00 -3.22 -0.05 0.00 1.00 0.00 0.00 33.01 30.74 2gbm s GLN 2 CO 0.00 0.67 -0.05 0.96 -2.12 0.00 0.00 175.29 174.75 2gbm s ILE 3 N -0.72 1.25 0.03 1.08 -4.36 -0.75 0.36 121.20 118.10 2gbm s ILE 3 Ca 0.13 -2.07 0.06 0.00 -0.26 0.00 0.00 60.65 58.51 2gbm s ILE 3 Cb -0.12 -2.23 -0.03 0.00 1.25 0.00 0.00 42.46 41.32 2gbm s ILE 3 CO 0.03 -0.43 -0.13 -0.36 0.24 0.00 0.00 174.94 174.28 2gbm s PHE 4 N -3.27 2.69 -0.04 1.37 0.08 0.10 -0.77 117.98 118.13 2gbm s PHE 4 Ca 0.26 -0.17 0.04 0.00 0.12 0.00 0.00 56.93 57.17 2gbm s PHE 4 Cb 0.04 -1.51 -0.00 0.00 -0.57 0.00 0.00 43.02 40.98 2gbm s PHE 4 CO 0.07 0.31 -0.15 0.08 -0.10 0.00 0.00 175.22 175.43 2gbm s VAL 5 N -0.97 1.26 -0.27 -0.44 1.01 0.19 -0.76 120.40 120.43 2gbm s VAL 5 Ca 0.16 -0.61 -0.19 0.00 0.00 0.00 0.00 61.98 61.34 2gbm s VAL 5 Cb -0.11 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 2gbm s VAL 5 CO 0.07 0.37 0.55 -0.75 0.00 0.00 0.00 175.10 175.34 2gbm s LYS 6 N 0.14 4.04 0.74 2.72 2.20 -0.00 -1.30 119.74 128.28 2gbm s LYS 6 Ca -0.05 0.35 -0.03 0.00 -0.36 0.00 0.00 55.97 55.88 2gbm s LYS 6 Cb -0.11 -3.67 0.12 0.00 -1.51 0.00 0.00 37.83 32.66 2gbm s LYS 6 CO 0.02 -0.40 1.02 0.95 -0.36 0.00 0.00 175.35 176.59 2gbm s THR 7 N 2.39 2.18 0.40 3.43 -4.23 0.04 -1.19 115.64 118.65 2gbm s THR 7 Ca 0.23 -0.48 0.22 0.00 -1.18 0.00 0.00 61.69 60.47 2gbm s THR 7 Cb -0.16 -2.70 0.23 0.00 1.34 0.00 0.00 72.50 71.22 2gbm s THR 7 CO 0.09 0.00 2.00 -0.07 -0.54 0.00 0.00 174.62 176.10 2gbm h LEU 8 N -0.65 0.00 -1.16 4.79 3.38 -1.89 -0.48 115.31 119.30 2gbm h LEU 8 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2gbm h LEU 8 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2gbm h LEU 8 CO 0.43 0.18 0.00 0.35 0.09 0.00 0.00 178.44 179.49 2gbm n THR 9 N -3.85 0.25 -0.65 0.22 -2.24 -1.26 -4.92 114.28 101.84 2gbm n THR 9 Ca -0.02 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2gbm n THR 9 Cb 0.28 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 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 1.13 0.71 3.87 3.38 0.00 -0.19 -5.06 105.19 109.03 2gbm n GLY 10 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2gbm n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gbm s LYS 11 N -0.35 3.64 -0.12 1.61 1.02 -1.26 -4.76 119.74 119.51 2gbm s LYS 11 Ca 0.00 0.75 0.02 0.00 0.02 0.00 0.00 55.97 56.76 2gbm s LYS 11 Cb 0.00 -2.10 -0.01 0.00 -0.52 0.00 0.00 37.83 35.21 2gbm s LYS 11 CO 0.00 -0.52 -0.18 0.99 -0.92 0.00 0.00 175.35 174.72 2gbm s THR 12 N -3.10 2.61 0.22 2.17 2.01 -1.26 -0.78 115.64 117.50 2gbm s THR 12 Ca 0.55 -0.82 0.09 0.00 0.31 0.00 0.00 61.69 61.82 2gbm s THR 12 Cb -0.11 -2.06 -0.05 0.00 0.01 0.00 0.00 72.50 70.29 2gbm s THR 12 CO 0.51 0.54 -0.16 0.27 -0.69 0.00 0.00 174.62 175.09 2gbm s ILE 13 N 0.39 1.90 -0.11 1.82 -4.36 -0.42 -4.96 121.20 115.47 2gbm s ILE 13 Ca -0.14 -2.25 -0.01 0.00 -0.26 0.00 0.00 60.65 57.99 2gbm s ILE 13 Cb -0.17 -2.10 -0.03 0.00 1.25 0.00 0.00 42.46 41.42 2gbm s ILE 13 CO 0.06 -0.55 -0.06 -0.89 0.24 0.00 0.00 174.94 173.75 2gbm s THR 14 N -2.85 3.78 0.15 8.37 2.01 -1.26 -0.63 115.64 125.20 2gbm s THR 14 Ca 0.24 -0.43 0.11 0.00 0.31 0.00 0.00 61.69 61.92 2gbm s THR 14 Cb -0.02 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 2gbm s THR 14 CO 0.09 0.56 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.55 2gbm s LEU 15 N -0.30 2.35 -0.29 4.42 1.43 0.05 -4.99 118.68 121.35 2gbm s LEU 15 Ca 0.05 -0.78 -0.09 0.00 -1.03 0.00 0.00 54.13 52.27 2gbm s LEU 15 Cb -0.13 -1.19 -0.02 0.00 0.03 0.00 0.00 46.19 44.88 2gbm s LEU 15 CO 0.02 0.16 0.14 -1.61 0.23 0.00 0.00 176.35 175.29 2gbm s GLU 16 N -2.22 3.51 0.15 1.70 0.41 -1.26 -1.81 118.70 119.17 2gbm s GLU 16 Ca 0.16 -0.60 0.01 0.00 -0.41 0.00 0.00 54.97 54.12 2gbm s GLU 16 Cb -0.09 -3.53 -0.04 0.00 -1.78 0.00 0.00 34.13 28.68 2gbm s GLU 16 CO 0.07 -0.33 0.01 0.14 -0.49 0.00 0.00 175.26 174.66 2gbm s VAL 17 N 1.64 0.47 0.10 2.63 -7.23 -0.16 -4.92 120.40 112.93 2gbm s VAL 17 Ca 0.05 -1.94 0.07 0.00 -1.81 0.00 0.00 61.98 58.35 2gbm s VAL 17 Cb -0.16 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.71 2gbm s VAL 17 CO 0.06 -0.54 -0.11 -1.61 -0.31 0.00 0.00 175.10 172.60 2gbm s GLU 18 N -3.95 2.12 0.54 4.82 0.41 -1.26 -0.33 118.70 121.05 2gbm s GLU 18 Ca 0.22 -1.02 0.29 0.00 -0.41 0.00 0.00 54.97 54.05 2gbm s GLU 18 Cb 0.07 -2.30 1.45 0.00 -1.78 0.00 0.00 34.13 31.57 2gbm s GLU 18 CO 0.02 0.51 1.94 -1.35 -0.49 0.00 0.00 175.26 175.88 2gbm h PRO 19 N 3.70 0.00 0.00 0.39 0.11 -1.97 0.46 132.00 134.69 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 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2gbm h PRO 19 CO 0.52 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.18 2gbm n SER 20 N -4.21 0.00 -4.76 -2.05 3.41 -1.26 -0.44 113.62 104.31 2gbm n SER 20 Ca 0.13 -0.60 -0.41 0.00 -0.26 0.00 0.00 58.87 57.73 2gbm n SER 20 Cb 0.77 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.56 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 -2.25 6.92 0.66 4.04 1.01 0.15 -4.76 116.67 122.44 2gbm s ASP 21 Ca 0.38 2.53 -0.11 0.00 0.71 0.00 0.00 52.55 56.06 2gbm s ASP 21 Cb 0.21 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.49 2gbm s ASP 21 CO 0.40 -0.43 1.06 0.42 0.21 0.00 0.00 175.17 176.83 2gbm s THR 22 N -0.90 4.19 0.22 -1.27 -4.23 -1.26 -1.30 115.64 111.10 2gbm s THR 22 Ca 0.49 0.71 -0.08 0.00 -1.18 0.00 0.00 61.69 61.63 2gbm s THR 22 Cb -0.37 -3.70 0.18 0.00 1.34 0.00 0.00 72.50 69.95 2gbm s THR 22 CO 0.47 -0.93 1.86 0.40 -0.54 0.00 0.00 174.62 175.88 2gbm h ILE 23 N -0.47 1.10 0.00 2.99 1.08 -1.72 -1.07 117.51 119.43 2gbm h ILE 23 Ca -0.44 -0.33 -0.11 0.00 -0.39 0.00 0.00 64.86 63.59 2gbm h ILE 23 Cb 1.22 0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 35.01 2gbm h ILE 23 CO 0.63 0.18 -0.52 -0.33 -0.69 0.00 0.00 178.15 177.41 2gbm h GLU 24 N 0.96 0.00 -0.80 2.37 4.39 -1.93 -1.00 114.58 118.57 2gbm h GLU 24 Ca 0.32 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.99 2gbm h GLU 24 Cb 0.04 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 2gbm h GLU 24 CO -0.12 0.52 0.36 -0.97 -1.16 0.00 0.00 179.01 177.64 2gbm h ASN 25 N 0.00 1.07 -0.25 1.42 -0.73 -1.73 -0.89 115.58 114.47 2gbm h ASN 25 Ca -0.01 -0.14 -0.08 0.00 1.87 0.00 0.00 56.30 57.95 2gbm h ASN 25 Cb 0.93 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 39.24 2gbm h ASN 25 CO 0.07 0.92 -0.15 0.58 -0.37 0.00 0.00 177.43 178.47 2gbm h VAL 26 N 1.15 1.31 -0.92 2.57 2.07 -0.89 -1.45 116.25 120.09 2gbm h VAL 26 Ca 0.27 -1.26 0.04 0.00 0.82 0.00 0.00 66.70 66.57 2gbm h VAL 26 Cb 0.15 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 2gbm h VAL 26 CO -0.03 0.39 0.60 0.11 0.02 0.00 0.00 177.57 178.67 2gbm h LYS 27 N 0.25 1.12 -0.35 1.57 1.57 -0.93 -1.76 116.57 118.05 2gbm h LYS 27 Ca 0.05 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 2gbm h LYS 27 Cb 0.68 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 2gbm h LYS 27 CO 0.04 0.74 -0.19 0.00 -0.57 0.00 0.00 179.45 179.47 2gbm h ALA 28 N 1.46 1.02 -0.17 3.86 0.00 -0.92 -2.30 119.26 122.22 2gbm h ALA 28 Ca 0.36 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2gbm h ALA 28 Cb 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2gbm h ALA 28 CO -0.11 0.59 -0.15 0.87 0.00 0.00 0.00 179.25 180.45 2gbm h LYS 29 N 0.58 0.27 -0.30 0.00 1.57 -0.44 -2.48 116.57 115.77 2gbm h LYS 29 Ca 0.09 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 2gbm h LYS 29 Cb 0.65 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 2gbm h LYS 29 CO 0.05 0.42 0.01 0.82 -0.57 0.00 0.00 179.45 180.17 2gbm h ILE 30 N 0.25 1.25 -0.53 1.86 2.04 -0.82 -2.93 117.51 118.64 2gbm h ILE 30 Ca 0.05 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 65.02 2gbm h ILE 30 Cb 0.42 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 2gbm h ILE 30 CO 0.03 0.30 0.30 1.56 0.00 0.00 0.00 178.15 180.34 2gbm h GLN 31 N 0.32 0.58 -0.95 2.37 4.20 -1.30 -1.77 115.11 118.55 2gbm h GLN 31 Ca 0.09 -0.03 0.16 0.00 0.06 0.00 0.00 58.65 58.92 2gbm h GLN 31 Cb 0.42 -0.13 -0.08 0.00 0.30 0.00 0.00 27.48 27.99 2gbm h GLN 31 CO 0.01 0.38 0.60 -0.44 -0.67 0.00 0.00 178.83 178.72 2gbm h ASP 32 N 0.60 0.72 1.16 1.46 3.32 -1.37 -1.44 116.42 120.86 2gbm h ASP 32 Ca 0.22 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.33 2gbm h ASP 32 Cb 0.06 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2gbm h ASP 32 CO -0.12 0.33 0.00 0.11 -1.72 0.00 0.00 179.24 177.85 2gbm h LYS 33 N 0.75 0.00 -3.02 3.56 1.79 -1.14 -3.37 116.57 115.13 2gbm h LYS 33 Ca 0.50 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 58.35 2gbm h LYS 33 Cb 0.78 0.00 -0.42 0.00 -1.58 0.00 0.00 32.23 31.01 2gbm h LYS 33 CO -0.26 0.00 -0.58 -0.85 -1.08 0.00 0.00 179.45 176.68 2gbm n GLU 34 N -2.76 1.85 -2.53 3.15 0.28 -0.54 -4.83 120.64 115.26 2gbm n GLU 34 Ca 0.02 -4.48 -0.04 0.00 -0.16 0.00 0.00 57.16 52.50 2gbm n GLU 34 Cb 0.34 -2.28 0.08 0.00 1.43 0.00 0.00 31.44 31.01 2gbm n GLU 34 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2gbm n GLY 35 N 1.90 0.85 0.93 -1.84 0.00 -1.26 -4.92 105.19 100.86 2gbm n GLY 35 Ca 0.21 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.17 2gbm n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbm n GLY 36 N -0.80 2.32 1.27 -0.02 0.00 -1.26 -4.83 105.19 101.87 2gbm n GLY 36 Ca -0.12 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.08 2gbm n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbm n GLY 37 N -0.20 -0.06 0.33 -0.02 0.00 -1.26 -4.89 105.19 99.09 2gbm n GLY 37 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.14 2gbm n GLY 37 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2gbm h GLY 38 N 0.00 0.56 0.00 -0.02 0.00 -1.97 -3.46 103.07 98.19 2gbm h GLY 38 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2gbm h GLY 38 CO 0.00 -0.32 0.00 0.61 0.00 0.00 0.00 176.54 176.83 2gbm n GLY 39 N -1.55 1.77 0.00 4.60 0.00 -1.26 -4.95 105.19 103.79 2gbm n GLY 39 Ca 0.13 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2gbm n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbm n GLY 40 N 0.00 -0.00 3.76 -0.02 0.00 -1.26 -4.99 105.19 102.68 2gbm n GLY 40 Ca 0.00 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 2gbm n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gbm s GLY 41 N 0.00 2.72 0.00 -0.02 0.00 -1.26 -5.01 107.32 103.74 2gbm s GLY 41 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.89 2gbm s GLY 41 CO 0.00 0.90 0.00 0.61 0.00 0.00 0.00 173.10 174.61 2gbm n GLY 42 N 2.33 0.10 0.00 0.20 0.00 -1.26 -5.13 105.19 101.43 2gbm n GLY 42 Ca -0.05 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.68 2gbm n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbm n GLY 43 N 0.00 0.53 3.72 -0.02 0.00 -1.26 -5.06 105.19 103.09 2gbm n GLY 43 Ca 0.00 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 2gbm n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gbm s ILE 44 N -2.00 5.26 0.73 -0.61 1.01 -1.26 -5.08 121.20 119.25 2gbm s ILE 44 Ca 0.00 0.13 -0.12 0.00 0.00 0.00 0.00 60.65 60.66 2gbm s ILE 44 Cb 0.00 -3.39 0.03 0.00 0.01 0.00 0.00 42.46 39.12 2gbm s ILE 44 CO 0.00 0.46 1.10 -2.84 0.00 0.00 0.00 174.94 173.65 2gbm s PRO 45 N 0.27 2.49 0.39 2.79 0.02 -1.26 -4.90 135.00 134.80 2gbm s PRO 45 Ca 0.07 1.25 0.10 0.00 0.02 0.00 0.00 61.00 62.44 2gbm s PRO 45 Cb -0.11 -1.92 0.88 0.00 0.02 0.00 0.00 34.50 33.36 2gbm s PRO 45 CO -0.01 -1.47 1.94 -1.35 -0.33 0.00 0.00 177.00 175.78 2gbm h PRO 46 N -0.66 0.58 0.00 5.54 0.11 -1.98 -1.32 132.00 134.28 2gbm h PRO 46 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2gbm h PRO 46 Cb 1.24 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2gbm h PRO 46 CO 0.53 0.39 0.00 -0.40 -0.21 0.00 0.00 178.00 178.30 2gbm n ASP 47 N -4.49 0.00 -0.76 -2.05 5.75 -1.26 -1.91 116.55 111.83 2gbm n ASP 47 Ca 0.12 0.19 0.12 0.00 -0.01 0.00 0.00 54.79 55.21 2gbm n ASP 47 Cb 0.35 -0.39 0.32 0.00 -1.03 0.00 0.00 41.12 40.37 2gbm n ASP 47 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gbm n GLN 48 N -1.39 2.01 -4.52 0.11 6.02 -0.50 -4.89 117.38 114.23 2gbm n GLN 48 Ca 0.10 -1.51 -0.27 0.00 -0.01 0.00 0.00 57.00 55.31 2gbm n GLN 48 Cb 0.26 -1.45 -0.13 0.00 1.02 0.00 0.00 30.24 29.93 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 -1.79 1.39 0.09 -1.09 -0.21 -0.80 -0.07 119.66 117.19 2gbm s GLN 49 Ca 0.34 -1.15 0.04 0.00 0.02 0.00 0.00 55.36 54.60 2gbm s GLN 49 Cb 0.20 -1.68 -0.03 0.00 1.00 0.00 0.00 33.01 32.50 2gbm s GLN 49 CO 0.30 0.41 -0.10 1.03 -2.12 0.00 0.00 175.29 174.80 2gbm s ARG 50 N -1.65 0.80 -0.08 2.91 1.81 -0.25 -4.87 118.95 117.61 2gbm s ARG 50 Ca 0.10 -1.09 -0.04 0.00 -1.72 0.00 0.00 55.73 52.98 2gbm s ARG 50 Cb -0.10 -0.53 -0.04 0.00 -0.45 0.00 0.00 34.95 33.84 2gbm s ARG 50 CO 0.04 0.09 0.10 -0.51 -0.68 0.00 0.00 175.30 174.33 2gbm s LEU 51 N -2.27 4.09 -0.05 2.53 1.43 -1.26 -0.74 118.68 122.41 2gbm s LEU 51 Ca 0.03 0.32 0.06 0.00 -1.03 0.00 0.00 54.13 53.51 2gbm s LEU 51 Cb -0.04 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 2gbm s LEU 51 CO 0.00 0.36 -0.24 -0.63 0.23 0.00 0.00 176.35 176.08 2gbm s ILE 52 N -1.05 1.95 -0.10 -0.59 -1.09 0.18 -1.03 121.20 119.48 2gbm s ILE 52 Ca 0.17 -1.02 0.01 0.00 -2.23 0.00 0.00 60.65 57.58 2gbm s ILE 52 Cb -0.12 -1.65 0.02 0.00 -1.58 0.00 0.00 42.46 39.13 2gbm s ILE 52 CO 0.07 0.55 -0.10 0.12 -1.23 0.00 0.00 174.94 174.34 2gbm s PHE 53 N -0.20 1.51 -1.49 3.97 5.36 0.24 -1.20 117.98 126.17 2gbm s PHE 53 Ca -0.02 -0.69 -0.01 0.00 -0.96 0.00 0.00 56.93 55.25 2gbm s PHE 53 Cb -0.13 -1.19 0.01 0.00 -0.34 0.00 0.00 43.02 41.37 2gbm s PHE 53 CO 0.03 -0.43 0.27 0.00 -1.46 0.00 0.00 175.22 173.62 2gbm n ALA 54 N 4.50 -1.96 -0.53 11.12 0.00 -1.26 -0.51 120.51 131.86 2gbm n ALA 54 Ca -0.17 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 52.95 2gbm n ALA 54 Cb 0.51 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 -2.19 1.61 3.54 0.00 0.00 -1.26 -5.01 105.19 101.88 2gbm n GLY 55 Ca -0.30 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 2gbm n GLY 55 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2gbm s LYS 56 N -0.12 3.31 -0.01 1.61 2.20 0.33 -5.08 119.74 121.98 2gbm s LYS 56 Ca 0.00 -0.52 -0.30 0.00 -0.36 0.00 0.00 55.97 54.78 2gbm s LYS 56 Cb 0.00 -2.79 -0.04 0.00 -1.51 0.00 0.00 37.83 33.49 2gbm s LYS 56 CO 0.00 0.42 1.13 -1.14 -0.36 0.00 0.00 175.35 175.40 2gbm s GLN 57 N -0.13 4.43 0.18 4.03 0.74 -1.26 -0.59 119.66 127.07 2gbm s GLN 57 Ca 0.02 1.62 -0.24 0.00 0.05 0.00 0.00 55.36 56.81 2gbm s GLN 57 Cb -0.13 -3.46 -0.08 0.00 1.10 0.00 0.00 33.01 30.44 2gbm s GLN 57 CO 0.03 -0.28 0.76 -0.51 -0.55 0.00 0.00 175.29 174.74 2gbm s LEU 58 N 1.52 4.52 0.20 3.68 1.43 -0.19 -4.96 118.68 124.87 2gbm s LEU 58 Ca 0.55 1.58 0.08 0.00 -1.03 0.00 0.00 54.13 55.31 2gbm s LEU 58 Cb -0.25 -3.38 -0.04 0.00 0.03 0.00 0.00 46.19 42.55 2gbm s LEU 58 CO 0.25 0.15 -0.02 -1.61 0.23 0.00 0.00 176.35 175.36 2gbm s GLU 59 N -1.40 2.32 0.73 1.70 0.41 -1.26 -4.61 118.70 116.59 2gbm s GLU 59 Ca 0.38 -1.21 -0.11 0.00 -0.41 0.00 0.00 54.97 53.62 2gbm s GLU 59 Cb -0.21 -2.28 0.03 0.00 -1.78 0.00 0.00 34.13 29.89 2gbm s GLU 59 CO 0.24 0.43 1.07 -0.51 -0.49 0.00 0.00 175.26 176.01 2gbm s ASP 60 N -3.11 5.00 -0.10 -0.19 1.01 -1.26 -3.92 116.67 114.09 2gbm s ASP 60 Ca 0.28 1.60 0.00 0.00 0.71 0.00 0.00 52.55 55.14 2gbm s ASP 60 Cb -0.08 -2.42 0.00 0.00 1.01 0.00 0.00 42.92 41.43 2gbm s ASP 60 CO 0.18 -1.69 0.00 0.61 0.21 0.00 0.00 175.17 174.49 2gbm n GLY 61 N -1.83 0.39 3.14 0.21 0.00 -1.26 -5.04 105.19 100.80 2gbm n GLY 61 Ca 0.08 -0.93 -0.08 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.16 0.69 0.38 1.61 0.52 -1.25 -5.09 118.95 112.65 2gbm s ARG 62 Ca 0.00 -0.96 0.08 0.00 -0.52 0.00 0.00 55.73 54.32 2gbm s ARG 62 Cb 0.00 0.26 -0.03 0.00 0.52 0.00 0.00 34.95 35.70 2gbm s ARG 62 CO 0.00 -0.18 0.26 0.95 0.02 0.00 0.00 175.30 176.35 2gbm s THR 63 N -3.44 2.80 0.25 0.02 -4.23 -1.26 -2.07 115.64 107.70 2gbm s THR 63 Ca 0.02 -1.52 -0.04 0.00 -1.18 0.00 0.00 61.69 58.97 2gbm s THR 63 Cb 0.04 -3.02 0.22 0.00 1.34 0.00 0.00 72.50 71.08 2gbm s THR 63 CO -0.08 -0.07 1.82 -0.07 -0.54 0.00 0.00 174.62 175.68 2gbm h LEU 64 N 1.28 0.75 -1.45 4.79 3.38 -1.01 -2.04 115.31 121.01 2gbm h LEU 64 Ca -0.43 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 2gbm h LEU 64 Cb 1.26 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 2gbm h LEU 64 CO 0.62 0.44 0.14 0.77 0.09 0.00 0.00 178.44 180.50 2gbm h SER 65 N 0.86 0.46 -0.09 -0.43 4.64 -1.00 -1.37 113.55 116.62 2gbm h SER 65 Ca 0.40 -0.04 0.03 0.00 -0.47 0.00 0.00 61.79 61.70 2gbm h SER 65 Cb 0.32 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2gbm h SER 65 CO -0.23 0.42 0.13 0.44 -0.87 0.00 0.00 176.83 176.72 2gbm h ASP 66 N 0.51 0.00 -0.44 4.97 3.32 -1.63 -1.35 116.42 121.80 2gbm h ASP 66 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2gbm h ASP 66 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2gbm h ASP 66 CO -0.01 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.29 2gbm n TYR 67 N -3.59 0.59 -3.98 4.55 4.01 -0.57 -4.97 117.16 113.19 2gbm n TYR 67 Ca -0.01 -0.44 -0.29 0.00 -0.16 0.00 0.00 57.90 57.01 2gbm n TYR 67 Cb 0.23 -0.01 -0.00 0.00 -0.31 0.00 0.00 39.34 39.24 2gbm n TYR 67 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2gbm n ASN 68 N 0.96 -2.32 -4.59 7.72 5.15 -0.51 -4.95 115.26 116.72 2gbm n ASN 68 Ca 0.16 -0.93 -0.43 0.00 -0.60 0.00 0.00 54.58 52.78 2gbm n ASN 68 Cb 0.49 -3.32 -0.04 0.00 -0.53 0.00 0.00 39.78 36.39 2gbm n ASN 68 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2gbm s ILE 69 N -3.58 4.50 0.51 -1.44 1.01 -0.86 -5.02 121.20 116.31 2gbm s ILE 69 Ca 0.36 1.09 0.06 0.00 0.00 0.00 0.00 60.65 62.16 2gbm s ILE 69 Cb -0.19 -4.40 0.02 0.00 0.01 0.00 0.00 42.46 37.90 2gbm s ILE 69 CO 0.87 -0.69 0.39 -1.10 0.00 0.00 0.00 174.94 174.42 2gbm s GLN 70 N 3.69 2.31 0.44 2.79 -0.21 -1.26 -4.58 119.66 122.84 2gbm s GLN 70 Ca 0.39 -1.89 -0.24 0.00 0.02 0.00 0.00 55.36 53.64 2gbm s GLN 70 Cb -0.11 -2.16 -0.10 0.00 1.00 0.00 0.00 33.01 31.64 2gbm s GLN 70 CO 0.23 -0.50 1.02 0.36 -2.12 0.00 0.00 175.29 174.28 2gbm n LYS 71 N -1.69 1.34 -1.08 2.91 2.85 -1.26 -2.16 118.16 119.08 2gbm n LYS 71 Ca 0.00 0.48 -0.03 0.00 -1.05 0.00 0.00 58.31 57.72 2gbm n LYS 71 Cb 0.64 -2.07 -0.01 0.00 -0.65 0.00 0.00 35.03 32.93 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 0.03 -1.06 -2.09 -1.58 1.02 0.16 -5.00 120.64 112.12 2gbm n GLU 72 Ca 0.10 0.42 -0.37 0.00 -0.02 0.00 0.00 57.16 57.29 2gbm n GLU 72 Cb 0.40 -4.30 0.02 0.00 -0.02 0.00 0.00 31.44 27.53 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 -2.19 5.61 -0.17 1.62 0.01 -0.92 -4.78 113.70 112.89 2gbm s SER 73 Ca 0.00 2.40 -0.04 0.00 1.31 0.00 0.00 55.95 59.63 2gbm s SER 73 Cb 0.00 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.60 2gbm s SER 73 CO 0.00 -1.31 -0.04 -0.89 0.41 0.00 0.00 173.24 171.41 2gbm s THR 74 N -1.54 3.79 0.11 1.44 2.01 -1.26 -0.72 115.64 119.47 2gbm s THR 74 Ca 0.71 -0.39 0.04 0.00 0.31 0.00 0.00 61.69 62.36 2gbm s THR 74 Cb -0.31 -2.67 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 2gbm s THR 74 CO 0.36 0.47 0.09 -0.76 -0.69 0.00 0.00 174.62 174.09 2gbm s LEU 75 N 0.61 3.78 -0.10 4.42 1.43 0.06 -4.59 118.68 124.29 2gbm s LEU 75 Ca -0.03 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 2gbm s LEU 75 Cb -0.14 -2.44 -0.01 0.00 0.03 0.00 0.00 46.19 43.63 2gbm s LEU 75 CO 0.02 0.13 -0.20 -1.00 0.23 0.00 0.00 176.35 175.54 2gbm s HIS 76 N -1.52 2.64 0.02 0.29 3.76 -0.34 -0.82 115.29 119.31 2gbm s HIS 76 Ca 0.30 -0.79 -0.21 0.00 -0.15 0.00 0.00 55.06 54.20 2gbm s HIS 76 Cb -0.11 -1.74 -0.06 0.00 1.11 0.00 0.00 32.58 31.79 2gbm s HIS 76 CO 0.22 -0.27 0.63 -1.17 -0.85 0.00 0.00 174.74 173.31 2gbm s LEU 77 N 0.19 4.43 0.16 0.89 2.96 -0.33 -0.65 118.68 126.34 2gbm s LEU 77 Ca -0.12 1.24 0.02 0.00 -0.22 0.00 0.00 54.13 55.05 2gbm s LEU 77 Cb -0.16 -3.00 -0.05 0.00 0.50 0.00 0.00 46.19 43.49 2gbm s LEU 77 CO 0.06 0.10 -0.02 0.68 -1.32 0.00 0.00 176.35 175.85 2gbm s VAL 78 N -0.24 0.75 0.02 1.68 -7.23 0.08 -4.48 120.40 110.97 2gbm s VAL 78 Ca 0.33 -1.99 -0.11 0.00 -1.81 0.00 0.00 61.98 58.40 2gbm s VAL 78 Cb -0.19 -2.05 -0.05 0.00 0.56 0.00 0.00 36.38 34.64 2gbm s VAL 78 CO 0.19 -0.54 0.35 -0.76 -0.31 0.00 0.00 175.10 174.03 2gbm s LEU 79 N -3.16 4.40 -0.52 1.32 1.43 -1.26 -1.10 118.68 119.79 2gbm s LEU 79 Ca 0.22 0.78 0.04 0.00 -1.03 0.00 0.00 54.13 54.14 2gbm s LEU 79 Cb 0.06 -2.68 0.15 0.00 0.03 0.00 0.00 46.19 43.75 2gbm s LEU 79 CO 0.03 0.27 0.35 -0.60 0.23 0.00 0.00 176.35 176.62 2gbm s ARG 80 N -1.48 1.59 0.00 1.70 3.52 0.90 -4.87 118.95 120.31 2gbm s ARG 80 Ca 0.27 -2.48 0.19 0.00 -0.13 0.00 0.00 55.73 53.58 2gbm s ARG 80 Cb -0.15 -2.48 0.15 0.00 -1.56 0.00 0.00 34.95 30.91 2gbm s ARG 80 CO 0.14 -1.26 1.10 1.28 -0.81 0.00 0.00 175.30 175.76