#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gqb n SER 2 N 0.00 -1.14 0.03 6.12 7.64 -1.26 -4.84 113.62 120.17 2gqb n SER 2 Ca 0.00 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.94 2gqb n SER 2 Cb 0.00 -0.57 0.48 0.00 -1.01 0.00 0.00 64.21 63.11 2gqb n SER 2 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2gqb h ILE 3 N 0.00 1.04 0.00 0.44 2.04 -1.90 -0.27 117.51 118.86 2gqb h ILE 3 Ca 0.00 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 2gqb h ILE 3 Cb 0.00 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 2gqb h ILE 3 CO 0.00 0.08 -0.06 2.19 0.00 0.00 0.00 178.15 180.36 2gqb h PHE 4 N 0.42 0.00 0.00 1.37 -5.15 -1.95 0.26 116.94 111.90 2gqb h PHE 4 Ca 0.15 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 57.86 2gqb h PHE 4 Cb 0.07 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.23 2gqb h PHE 4 CO -0.00 0.06 -0.72 0.78 -2.00 0.00 0.00 178.31 176.42 2gqb h GLY 5 N 0.19 0.00 1.51 6.09 0.00 -1.39 -2.97 103.07 106.49 2gqb h GLY 5 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 2gqb h GLY 5 CO 0.01 0.00 -1.33 0.50 0.00 0.00 0.00 176.54 175.72 2gqb h LYS 6 N 0.00 0.31 0.07 4.80 1.57 -0.46 -3.32 116.57 119.54 2gqb h LYS 6 Ca -0.03 -0.53 -0.24 0.00 -1.87 0.00 0.00 60.65 57.97 2gqb h LYS 6 Cb 1.20 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.70 2gqb h LYS 6 CO 0.02 1.24 -1.11 -0.84 -0.57 0.00 0.00 179.45 178.19 2gqb h ILE 7 N 0.08 1.57 0.00 1.86 3.07 -0.68 -3.23 117.51 120.18 2gqb h ILE 7 Ca -0.17 -3.12 0.00 0.00 1.55 0.00 0.00 64.86 63.12 2gqb h ILE 7 Cb 2.01 2.84 0.00 0.00 -0.27 0.00 0.00 36.82 41.40 2gqb h ILE 7 CO 0.21 0.90 0.00 1.15 -1.05 0.00 0.00 178.15 179.36 2gqb n MET 8 N -3.49 0.11 0.23 0.16 0.00 -1.12 -1.78 117.12 111.23 2gqb n MET 8 Ca -0.05 0.39 0.10 0.00 0.00 0.00 0.00 57.70 58.13 2gqb n MET 8 Cb 0.96 -1.73 0.53 0.00 0.00 0.00 0.00 33.22 32.98 2gqb n MET 8 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 2gqb h SER 9 N 0.00 0.00 0.03 3.17 0.87 -1.65 0.22 113.55 116.20 2gqb h SER 9 Ca 0.00 0.00 -0.39 0.00 -1.23 0.00 0.00 61.79 60.17 2gqb h SER 9 Cb 0.28 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.18 2gqb h SER 9 CO 0.00 0.22 -2.30 0.00 -0.53 0.00 0.00 176.83 174.22 2gqb n ALA 10 N -2.27 1.23 -0.09 6.23 0.00 -0.73 -3.35 120.51 121.52 2gqb n ALA 10 Ca -0.01 -0.95 -0.09 0.00 0.00 0.00 0.00 53.44 52.39 2gqb n ALA 10 Cb 0.37 -0.22 -0.02 0.00 0.00 0.00 0.00 19.45 19.59 2gqb n ALA 10 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2gqb h ILE 11 N -0.24 1.10 -0.63 0.00 2.04 -1.43 -2.66 117.51 115.69 2gqb h ILE 11 Ca -0.55 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.09 2gqb h ILE 11 Cb 1.84 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 2gqb h ILE 11 CO -0.12 0.10 0.00 0.49 0.00 0.00 0.00 178.15 178.62 2gqb n PHE 12 N -4.85 1.38 -2.75 1.37 3.72 0.06 -4.43 117.46 111.95 2gqb n PHE 12 Ca -0.01 -0.56 -0.27 0.00 -0.05 0.00 0.00 57.45 56.56 2gqb n PHE 12 Cb 0.04 -0.21 -0.02 0.00 -0.94 0.00 0.00 39.48 38.35 2gqb n PHE 12 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2gqb n GLY 13 N 1.16 5.77 0.00 1.37 0.00 -1.00 -4.95 105.19 107.54 2gqb n GLY 13 Ca 0.24 -2.78 0.00 0.00 0.00 0.00 0.00 46.02 43.49 2gqb n GLY 13 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2gqb n ASP 14 N -0.34 0.00 0.00 1.61 5.75 -1.26 -4.82 116.55 117.49 2gqb n ASP 14 Ca 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.12 2gqb n ASP 14 Cb 0.49 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 2gqb n ASP 14 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2gqb n SER 15 N 0.00 0.00 -3.54 -1.12 2.88 -1.26 -4.64 113.62 105.94 2gqb n SER 15 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 2gqb n SER 15 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 2gqb n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2gqb n ALA 16 N 0.00 6.54 -1.24 -1.46 0.00 -1.26 -4.48 120.51 118.62 2gqb n ALA 16 Ca 0.00 -3.84 -0.08 0.00 0.00 0.00 0.00 53.44 49.52 2gqb n ALA 16 Cb 0.00 -3.27 -0.03 0.00 0.00 0.00 0.00 19.45 16.15 2gqb n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gqb n ALA 17 N 4.05 -0.12 0.78 0.00 0.00 -1.26 -4.80 120.51 119.15 2gqb n ALA 17 Ca 0.63 0.13 0.13 0.00 0.00 0.00 0.00 53.44 54.33 2gqb n ALA 17 Cb 0.30 -1.49 0.39 0.00 0.00 0.00 0.00 19.45 18.65 2gqb n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gqb n ALA 18 N 1.15 2.62 -1.78 0.00 0.00 -1.26 -4.83 120.51 116.41 2gqb n ALA 18 Ca -0.08 -0.14 -0.37 0.00 0.00 0.00 0.00 53.44 52.84 2gqb n ALA 18 Cb 0.48 -1.35 -0.05 0.00 0.00 0.00 0.00 19.45 18.53 2gqb n ALA 18 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2gqb s SER 19 N -3.81 6.97 -0.03 0.00 1.04 -1.26 -4.89 113.70 111.72 2gqb s SER 19 Ca 0.11 2.03 -0.31 0.00 0.48 0.00 0.00 55.95 58.26 2gqb s SER 19 Cb 0.15 -2.59 -0.09 0.00 0.10 0.00 0.00 66.02 63.59 2gqb s SER 19 CO 0.62 -0.34 2.00 -0.81 0.98 0.00 0.00 173.24 175.69 2gqb n PRO 20 N 0.27 2.60 0.00 4.02 -0.04 -1.26 -4.69 135.00 135.89 2gqb n PRO 20 Ca 0.03 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 2gqb n PRO 20 Cb 0.49 -2.97 0.00 0.00 -0.04 0.00 0.00 33.50 30.98 2gqb n PRO 20 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2gqb n GLY 21 N 4.74 -0.91 0.00 0.55 0.00 -1.26 -5.08 105.19 103.23 2gqb n GLY 21 Ca 0.22 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.79 2gqb n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gqb n GLY 22 N 0.00 2.03 2.41 -0.02 0.00 -1.26 -4.95 105.19 103.40 2gqb n GLY 22 Ca 0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 46.02 45.37 2gqb n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gqb n ALA 23 N 0.00 -3.44 -3.32 4.61 0.00 -1.26 -5.06 120.51 112.04 2gqb n ALA 23 Ca 0.00 0.86 -0.26 0.00 0.00 0.00 0.00 53.44 54.05 2gqb n ALA 23 Cb 0.00 -1.70 -0.17 0.00 0.00 0.00 0.00 19.45 17.59 2gqb n ALA 23 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2gqb s GLN 24 N -1.10 1.90 -0.18 0.00 -0.21 -1.26 -5.13 119.66 113.67 2gqb s GLN 24 Ca -0.07 -0.51 -0.11 0.00 0.02 0.00 0.00 55.36 54.69 2gqb s GLN 24 Cb 0.00 -1.55 -0.05 0.00 1.00 0.00 0.00 33.01 32.41 2gqb s GLN 24 CO 0.61 0.09 0.17 0.00 -2.12 0.00 0.00 175.29 174.04 2gqb s ALA 25 N 0.49 3.68 -0.56 6.09 0.00 -1.26 -5.04 121.76 125.16 2gqb s ALA 25 Ca -0.13 -0.63 -0.28 0.00 0.00 0.00 0.00 51.96 50.92 2gqb s ALA 25 Cb -0.15 -2.21 0.01 0.00 0.00 0.00 0.00 23.12 20.76 2gqb s ALA 25 CO 0.04 0.17 1.48 -2.14 0.00 0.00 0.00 175.76 175.31 2gqb s PRO 26 N 0.29 3.23 -0.20 0.00 0.02 -1.26 -5.00 135.00 132.09 2gqb s PRO 26 Ca 0.11 0.51 -0.13 0.00 0.02 0.00 0.00 61.00 61.51 2gqb s PRO 26 Cb -0.12 -4.16 -0.05 0.00 0.02 0.00 0.00 34.50 30.20 2gqb s PRO 26 CO -0.00 -2.02 0.26 0.00 -0.33 0.00 0.00 177.00 174.92 2gqb s ALA 27 N 6.40 3.60 0.09 -1.55 0.00 -1.26 -5.08 121.76 123.96 2gqb s ALA 27 Ca 0.55 -0.63 0.08 0.00 0.00 0.00 0.00 51.96 51.96 2gqb s ALA 27 Cb -0.12 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 2gqb s ALA 27 CO 0.25 -0.10 -0.21 -0.08 0.00 0.00 0.00 175.76 175.62 2gqb s THR 28 N 0.88 1.73 -1.75 0.00 -1.32 -1.26 -5.02 115.64 108.90 2gqb s THR 28 Ca 0.14 -1.47 0.29 0.00 -1.21 0.00 0.00 61.69 59.43 2gqb s THR 28 Cb -0.13 -1.55 0.69 0.00 -1.51 0.00 0.00 72.50 70.00 2gqb s THR 28 CO 0.04 0.01 2.05 1.07 -2.21 0.00 0.00 174.62 175.58 2gqb n THR 29 N 1.25 0.03 -0.44 5.08 5.66 -1.26 -3.06 114.28 121.54 2gqb n THR 29 Ca -0.19 0.01 0.11 0.00 -3.05 0.00 0.00 64.05 60.93 2gqb n THR 29 Cb 0.53 -0.54 0.33 0.00 -1.55 0.00 0.00 70.33 69.11 2gqb n THR 29 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2gqb n GLY 30 N 0.98 2.57 3.68 1.09 0.00 -1.26 -4.97 105.19 107.28 2gqb n GLY 30 Ca 0.18 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 2gqb n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gqb s ALA 31 N -1.22 -0.47 -0.07 4.61 0.00 -1.17 -5.16 121.76 118.28 2gqb s ALA 31 Ca 0.50 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.71 2gqb s ALA 31 Cb 0.28 0.97 0.01 0.00 0.00 0.00 0.00 23.12 24.38 2gqb s ALA 31 CO 0.31 -0.92 -0.13 0.00 0.00 0.00 0.00 175.76 175.03 2gqb s ALA 32 N -3.68 1.29 -0.24 0.00 0.00 -1.26 -4.79 121.76 113.08 2gqb s ALA 32 Ca 0.19 -0.43 -0.18 0.00 0.00 0.00 0.00 51.96 51.53 2gqb s ALA 32 Cb -0.03 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 2gqb s ALA 32 CO 0.10 0.12 0.53 0.20 0.00 0.00 0.00 175.76 176.71 2gqb s GLY 33 N 0.66 1.91 -1.17 0.00 0.00 -1.26 -4.98 107.32 102.47 2gqb s GLY 33 Ca -0.15 -0.51 -0.08 0.00 0.00 0.00 0.00 44.72 43.98 2gqb s GLY 33 CO 0.04 1.22 1.53 -1.30 0.00 0.00 0.00 173.10 174.59 2gqb n THR 34 N 4.96 4.71 -3.64 0.90 -2.24 -1.26 -5.00 114.28 112.71 2gqb n THR 34 Ca -0.04 -5.15 -0.37 0.00 -2.27 0.00 0.00 64.05 56.21 2gqb n THR 34 Cb 0.50 -2.32 -0.11 0.00 -2.10 0.00 0.00 70.33 66.29 2gqb n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gqb s ALA 35 N -0.79 3.47 -0.74 6.98 0.00 -1.26 -5.04 121.76 124.38 2gqb s ALA 35 Ca 0.36 -1.07 -0.26 0.00 0.00 0.00 0.00 51.96 50.99 2gqb s ALA 35 Cb 0.02 -2.38 0.04 0.00 0.00 0.00 0.00 23.12 20.80 2gqb s ALA 35 CO 0.02 -0.48 1.23 -1.25 0.00 0.00 0.00 175.76 175.29 2gqb s PRO 36 N 1.62 3.20 -1.21 0.00 0.04 -1.26 -4.95 135.00 132.44 2gqb s PRO 36 Ca 0.07 -0.40 -0.16 0.00 0.04 0.00 0.00 61.00 60.55 2gqb s PRO 36 Cb -0.15 -4.25 0.13 0.00 0.04 0.00 0.00 34.50 30.26 2gqb s PRO 36 CO 0.09 -2.09 1.52 0.99 0.04 0.00 0.00 177.00 177.54 2gqb s THR 37 N 5.40 4.64 -0.37 1.26 2.01 -1.26 -4.79 115.64 122.52 2gqb s THR 37 Ca 0.33 -2.22 0.07 0.00 0.31 0.00 0.00 61.69 60.18 2gqb s THR 37 Cb -0.09 -5.01 0.18 0.00 0.01 0.00 0.00 72.50 67.59 2gqb s THR 37 CO 0.13 -1.77 0.58 0.00 -0.69 0.00 0.00 174.62 172.86 2gqb s ALA 38 N 2.76 -2.08 -1.26 7.40 0.00 -1.26 -5.07 121.76 122.25 2gqb s ALA 38 Ca 0.46 0.25 -0.15 0.00 0.00 0.00 0.00 51.96 52.52 2gqb s ALA 38 Cb -0.00 -2.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.50 2gqb s ALA 38 CO 0.02 -2.10 2.25 -2.30 0.00 0.00 0.00 175.76 173.62 2gqb n PRO 39 N 4.67 2.56 -0.06 0.00 -0.02 -1.26 -4.63 135.00 136.26 2gqb n PRO 39 Ca 0.09 -2.26 -0.07 0.00 -2.02 0.00 0.00 63.50 59.24 2gqb n PRO 39 Cb 0.54 -3.06 -0.05 0.00 -0.02 0.00 0.00 33.50 30.92 2gqb n PRO 39 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2gqb h GLN 40 N 6.37 0.00 -6.14 -0.52 4.20 -1.98 -3.43 115.11 113.61 2gqb h GLN 40 Ca 0.57 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.77 2gqb h GLN 40 Cb 0.56 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.27 2gqb h GLN 40 CO 1.86 0.35 1.18 -2.14 -0.67 0.00 0.00 178.83 179.42 2gqb s PRO 41 N -1.93 3.02 -0.04 1.46 0.02 -1.26 -4.90 135.00 131.37 2gqb s PRO 41 Ca -0.10 -0.13 -0.29 0.00 0.02 0.00 0.00 61.00 60.50 2gqb s PRO 41 Cb 0.00 -4.52 0.11 0.00 0.02 0.00 0.00 34.50 30.11 2gqb s PRO 41 CO 0.27 -2.46 0.89 -0.08 -0.33 0.00 0.00 177.00 175.29 2gqb s THR 42 N 7.07 0.00 0.04 0.99 -1.32 -1.26 -5.19 115.64 115.97 2gqb s THR 42 Ca 0.50 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.97 2gqb s THR 42 Cb -0.08 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.91 2gqb s THR 42 CO 0.11 0.00 0.07 0.00 -2.21 0.00 0.00 174.62 172.59 2gqb n ALA 43 N 0.05 -0.13 -3.41 11.08 0.00 -1.26 -5.12 120.51 121.73 2gqb n ALA 43 Ca -0.10 -0.13 -0.27 0.00 0.00 0.00 0.00 53.44 52.94 2gqb n ALA 43 Cb 0.61 0.10 -0.10 0.00 0.00 0.00 0.00 19.45 20.07 2gqb n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gqb n ALA 44 N -2.77 2.87 0.67 0.00 0.00 -1.26 -4.93 120.51 115.09 2gqb n ALA 44 Ca -0.02 -3.33 0.13 0.00 0.00 0.00 0.00 53.44 50.22 2gqb n ALA 44 Cb 0.06 -0.79 0.46 0.00 0.00 0.00 0.00 19.45 19.17 2gqb n ALA 44 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2gqb n PRO 45 N 2.46 0.19 -3.67 0.00 -0.04 -1.26 -4.73 135.00 127.95 2gqb n PRO 45 Ca 0.27 0.20 -0.09 0.00 -0.04 0.00 0.00 63.50 63.84 2gqb n PRO 45 Cb 0.47 -1.74 -0.09 0.00 -0.04 0.00 0.00 33.50 32.10 2gqb n PRO 45 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2gqb s SER 46 N -4.13 -0.68 -0.61 3.54 0.01 -1.26 -5.06 113.70 105.51 2gqb s SER 46 Ca 0.10 1.13 -0.23 0.00 1.31 0.00 0.00 55.95 58.26 2gqb s SER 46 Cb 0.13 1.01 0.06 0.00 0.21 0.00 0.00 66.02 67.43 2gqb s SER 46 CO 0.55 -0.21 0.95 -0.63 0.41 0.00 0.00 173.24 174.31 2gqb s ILE 47 N 1.50 4.35 -0.65 1.44 -1.09 0.55 -4.85 121.20 122.44 2gqb s ILE 47 Ca -0.10 -0.08 -0.27 0.00 -2.23 0.00 0.00 60.65 57.97 2gqb s ILE 47 Cb -0.07 -4.62 0.01 0.00 -1.58 0.00 0.00 42.46 36.20 2gqb s ILE 47 CO -0.16 -1.31 1.51 -0.62 -1.23 0.00 0.00 174.94 173.14 2gqb s ASP 48 N 3.30 5.85 0.41 3.58 -1.08 -1.26 0.10 116.67 127.57 2gqb s ASP 48 Ca 0.26 0.00 0.22 0.00 -0.52 0.00 0.00 52.55 52.51 2gqb s ASP 48 Cb -0.15 -2.55 0.28 0.00 -1.46 0.00 0.00 42.92 39.05 2gqb s ASP 48 CO 0.14 -1.99 1.57 0.58 0.52 0.00 0.00 175.17 175.99 2gqb h VAL 49 N 6.41 0.15 0.37 1.11 2.07 -1.46 -3.34 116.25 121.55 2gqb h VAL 49 Ca -0.27 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.04 2gqb h VAL 49 Cb 1.10 2.06 -0.03 0.00 -1.52 0.00 0.00 31.29 32.90 2gqb h VAL 49 CO 1.23 0.08 -0.40 0.00 0.02 0.00 0.00 177.57 178.50 2gqb h ALA 50 N 1.91 -0.86 -0.58 1.67 0.00 -1.88 -1.44 119.26 118.08 2gqb h ALA 50 Ca -0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2gqb h ALA 50 Cb 1.07 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 2gqb h ALA 50 CO 0.01 -1.03 0.09 -1.00 0.00 0.00 0.00 179.25 177.33 2gqb h PRO 51 N -0.80 0.94 -0.08 0.00 0.13 -1.95 -1.85 132.00 128.39 2gqb h PRO 51 Ca -0.03 -0.23 0.04 0.00 -0.87 0.00 0.00 66.00 64.91 2gqb h PRO 51 Cb 0.73 -0.12 -0.05 0.00 0.13 0.00 0.00 31.00 31.69 2gqb h PRO 51 CO -0.09 0.87 -0.23 0.82 -0.23 0.00 0.00 178.00 179.15 2gqb h ILE 52 N 0.89 0.46 0.02 -3.56 2.04 -1.58 -0.57 117.51 115.21 2gqb h ILE 52 Ca 0.18 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.83 2gqb h ILE 52 Cb 0.39 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 2gqb h ILE 52 CO 0.01 0.00 -1.01 -0.07 0.00 0.00 0.00 178.15 177.08 2gqb h LEU 53 N -0.31 0.10 -0.35 1.44 3.38 -1.27 -1.79 115.31 116.51 2gqb h LEU 53 Ca 0.08 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2gqb h LEU 53 Cb 0.44 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2gqb h LEU 53 CO -0.26 1.04 0.21 -0.78 0.09 0.00 0.00 178.44 178.74 2gqb h ASP 54 N 0.02 0.34 1.09 -0.43 3.58 -0.98 0.79 116.42 120.83 2gqb h ASP 54 Ca -0.04 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.23 2gqb h ASP 54 Cb 1.74 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 42.69 2gqb h ASP 54 CO 0.14 0.25 -0.86 0.11 -2.88 0.00 0.00 179.24 176.00 2gqb h LYS 55 N 0.42 0.00 -0.39 0.28 1.79 -1.13 -2.88 116.57 114.65 2gqb h LYS 55 Ca 0.13 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.51 2gqb h LYS 55 Cb -0.01 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 2gqb h LYS 55 CO -0.06 0.86 -0.13 0.00 -1.08 0.00 0.00 179.45 179.04 2gqb h ALA 56 N 1.14 1.03 -0.44 3.86 0.00 -1.00 -0.11 119.26 123.74 2gqb h ALA 56 Ca -0.01 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2gqb h ALA 56 Cb 1.64 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 2gqb h ALA 56 CO 0.11 0.59 0.13 0.28 0.00 0.00 0.00 179.25 180.36 2gqb h VAL 57 N 0.64 1.22 0.00 0.00 2.07 -0.80 -0.87 116.25 118.52 2gqb h VAL 57 Ca 0.11 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.89 2gqb h VAL 57 Cb 0.59 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2gqb h VAL 57 CO 0.04 0.26 0.00 0.29 0.02 0.00 0.00 177.57 178.18 2gqb n LYS 58 N -4.56 0.05 0.00 1.57 5.02 -1.06 -1.19 118.16 118.00 2gqb n LYS 58 Ca 0.00 0.16 0.11 0.00 -2.02 0.00 0.00 58.31 56.56 2gqb n LYS 58 Cb 0.19 -1.57 0.09 0.00 -0.02 0.00 0.00 35.03 33.72 2gqb n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gqb n ALA 59 N -1.56 4.07 -0.07 7.82 0.00 -0.08 -4.30 120.51 126.39 2gqb n ALA 59 Ca 0.05 -0.46 -0.15 0.00 0.00 0.00 0.00 53.44 52.89 2gqb n ALA 59 Cb 0.28 -0.97 -0.12 0.00 0.00 0.00 0.00 19.45 18.64 2gqb n ALA 59 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2gqb h LYS 60 N 0.00 0.00 0.00 0.00 1.63 0.28 -3.50 116.57 114.98 2gqb h LYS 60 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2gqb h LYS 60 Cb 0.50 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 2gqb h LYS 60 CO 0.00 0.95 0.00 0.41 -3.45 0.00 0.00 179.45 177.36 2gqb n GLY 61 N 1.59 -0.77 2.60 5.01 0.00 -1.05 -5.11 105.19 107.46 2gqb n GLY 61 Ca -0.13 0.39 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 2gqb n GLY 61 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2gqb n GLU 62 N 0.00 1.04 -3.16 1.61 0.28 -1.26 -4.92 120.64 114.23 2gqb n GLU 62 Ca 0.00 -2.65 -0.42 0.00 -0.16 0.00 0.00 57.16 53.93 2gqb n GLU 62 Cb 0.00 0.82 -0.07 0.00 1.43 0.00 0.00 31.44 33.62 2gqb n GLU 62 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2gqb s LYS 63 N -3.30 3.64 0.31 3.44 2.36 -1.26 -4.41 119.74 120.53 2gqb s LYS 63 Ca 0.02 -0.04 0.08 0.00 -2.55 0.00 0.00 55.97 53.49 2gqb s LYS 63 Cb 0.00 -3.81 -0.04 0.00 -1.05 0.00 0.00 37.83 32.93 2gqb s LYS 63 CO 0.02 -0.71 0.16 -0.51 1.55 0.00 0.00 175.35 175.86 2gqb s LEU 64 N 2.60 3.43 -1.13 5.43 1.43 -1.26 -5.07 118.68 124.11 2gqb s LEU 64 Ca 0.22 -0.59 -0.09 0.00 -1.03 0.00 0.00 54.13 52.64 2gqb s LEU 64 Cb -0.15 -1.96 0.27 0.00 0.03 0.00 0.00 46.19 44.39 2gqb s LEU 64 CO 0.14 -0.21 1.16 -0.62 0.23 0.00 0.00 176.35 177.05 2gqb n GLU 65 N -1.16 3.56 0.00 1.70 -0.58 -1.26 -4.79 120.64 118.10 2gqb n GLU 65 Ca -0.04 -4.40 0.08 0.00 -0.42 0.00 0.00 57.16 52.38 2gqb n GLU 65 Cb 0.60 -2.60 0.38 0.00 -0.57 0.00 0.00 31.44 29.25 2gqb n GLU 65 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 2gqb n TRP 66 N 2.94 0.00 0.23 -0.32 4.27 -1.26 -0.64 117.44 122.65 2gqb n TRP 66 Ca 0.25 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.98 2gqb n TRP 66 Cb 0.39 -0.41 0.37 0.00 -1.36 0.00 0.00 31.31 30.30 2gqb n TRP 66 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2gqb h ARG 67 N 0.00 0.00 0.00 -2.67 3.08 -1.97 -3.39 114.38 109.43 2gqb h ARG 67 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2gqb h ARG 67 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2gqb h ARG 67 CO 0.00 0.12 0.00 -2.37 -1.07 0.00 0.00 179.97 176.65 2gqb n THR 68 N -3.19 0.00 -3.02 2.04 5.66 -1.09 -4.52 114.28 110.17 2gqb n THR 68 Ca 0.02 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.60 2gqb n THR 68 Cb 0.47 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.19 2gqb n THR 68 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2gqb s SER 69 N -1.19 6.52 0.30 1.09 0.01 0.18 -4.46 113.70 116.16 2gqb s SER 69 Ca 0.00 0.34 0.16 0.00 1.31 0.00 0.00 55.95 57.76 2gqb s SER 69 Cb 0.00 -2.37 0.30 0.00 0.21 0.00 0.00 66.02 64.16 2gqb s SER 69 CO 0.00 -0.65 1.55 -0.29 0.41 0.00 0.00 173.24 174.26 2gqb h ILE 70 N 5.69 0.95 -0.03 1.44 6.09 -1.84 -3.13 117.51 126.68 2gqb h ILE 70 Ca -0.25 -2.04 -0.18 0.00 -1.37 0.00 0.00 64.86 61.02 2gqb h ILE 70 Cb 1.10 2.26 -0.01 0.00 0.47 0.00 0.00 36.82 40.64 2gqb h ILE 70 CO 0.87 0.49 -0.77 0.58 -3.07 0.00 0.00 178.15 176.25 2gqb h VAL 71 N 0.00 1.44 0.05 2.19 2.07 -1.90 -2.34 116.25 117.76 2gqb h VAL 71 Ca -0.00 -2.33 -0.24 0.00 0.82 0.00 0.00 66.70 64.94 2gqb h VAL 71 Cb 1.22 2.26 -0.02 0.00 -1.52 0.00 0.00 31.29 33.23 2gqb h VAL 71 CO 0.06 0.69 -1.10 0.44 0.02 0.00 0.00 177.57 177.68 2gqb h ASP 72 N 0.16 0.18 0.66 0.57 3.32 -1.88 -1.96 116.42 117.47 2gqb h ASP 72 Ca -0.03 -0.19 -0.18 0.00 0.02 0.00 0.00 57.03 56.65 2gqb h ASP 72 Cb 1.35 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.83 2gqb h ASP 72 CO 0.12 1.15 -0.80 0.17 -1.72 0.00 0.00 179.24 178.16 2gqb h LEU 73 N 0.03 0.13 0.01 1.55 8.10 -1.61 -2.46 115.31 121.07 2gqb h LEU 73 Ca -0.06 -0.10 0.02 0.00 0.11 0.00 0.00 57.88 57.85 2gqb h LEU 73 Cb 1.85 -0.04 -0.03 0.00 -0.44 0.00 0.00 40.66 42.00 2gqb h LEU 73 CO 0.16 0.88 -0.18 -0.03 -4.11 0.00 0.00 178.44 175.16 2gqb h MET 74 N 0.06 -0.29 -0.30 0.17 4.05 -1.24 -2.47 114.93 114.92 2gqb h MET 74 Ca -0.02 0.02 -0.12 0.00 -0.28 0.00 0.00 59.70 59.29 2gqb h MET 74 Cb 1.40 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 32.25 2gqb h MET 74 CO 0.11 -0.19 -0.32 1.57 0.23 0.00 0.00 176.91 178.31 2gqb h LYS 75 N -0.30 0.64 -0.98 0.39 2.10 -1.39 -2.75 116.57 114.28 2gqb h LYS 75 Ca 0.05 -0.29 0.05 0.00 -2.00 0.00 0.00 60.65 58.46 2gqb h LYS 75 Cb 0.36 -0.01 -0.06 0.00 -0.90 0.00 0.00 32.23 31.62 2gqb h LYS 75 CO -0.16 0.88 0.64 0.00 -2.00 0.00 0.00 179.45 178.80 2gqb h ALA 76 N 1.11 1.33 -1.06 0.07 0.00 -1.08 -3.16 119.26 116.46 2gqb h ALA 76 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2gqb h ALA 76 Cb 0.82 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2gqb h ALA 76 CO 0.07 0.48 0.00 1.28 0.00 0.00 0.00 179.25 181.08 2gqb n LEU 77 N -4.49 0.25 -1.17 0.00 7.99 -0.96 -4.77 117.00 113.85 2gqb n LEU 77 Ca 0.14 0.71 -0.00 0.00 -0.01 0.00 0.00 56.01 56.84 2gqb n LEU 77 Cb 0.14 -0.32 0.00 0.00 -0.11 0.00 0.00 43.42 43.12 2gqb n LEU 77 CO 0.33 -0.32 0.17 -0.67 -1.51 0.00 0.00 177.39 175.39 2gqb n ASP 78 N -1.47 -0.07 -4.46 -1.43 2.03 -1.19 -5.12 116.55 104.84 2gqb n ASP 78 Ca 0.00 -0.70 -0.30 0.00 0.52 0.00 0.00 54.79 54.31 2gqb n ASP 78 Cb 0.00 0.03 -0.12 0.00 -0.72 0.00 0.00 41.12 40.31 2gqb n ASP 78 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2gqb s ILE 79 N 0.00 2.77 0.39 5.18 -1.09 -1.04 -5.02 121.20 122.40 2gqb s ILE 79 Ca 0.00 -1.33 0.08 0.00 -2.23 0.00 0.00 60.65 57.17 2gqb s ILE 79 Cb 0.01 -2.21 0.30 0.00 -1.58 0.00 0.00 42.46 38.98 2gqb s ILE 79 CO -0.00 0.24 1.98 0.44 -1.23 0.00 0.00 174.94 176.37 2gqb h ASP 80 N 4.21 0.55 -0.51 3.58 3.32 -1.90 -3.34 116.42 122.32 2gqb h ASP 80 Ca -0.49 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.38 2gqb h ASP 80 Cb 1.16 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 40.52 2gqb h ASP 80 CO 0.47 0.36 -0.17 -1.54 -1.72 0.00 0.00 179.24 176.64 2gqb n SER 81 N -4.48 -5.27 -1.29 6.45 3.41 -1.26 -4.93 113.62 106.26 2gqb n SER 81 Ca 0.09 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 2gqb n SER 81 Cb 0.24 -3.82 0.00 0.00 -0.26 0.00 0.00 64.21 60.36 2gqb n SER 81 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2gqb n SER 82 N -0.90 0.00 -0.12 4.04 2.88 -1.26 -4.75 113.62 113.51 2gqb n SER 82 Ca -0.09 -0.15 -0.05 0.00 -1.33 0.00 0.00 58.87 57.25 2gqb n SER 82 Cb 0.54 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.02 2gqb n SER 82 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2gqb h LEU 83 N 0.00 -0.17 -1.59 2.46 7.12 -2.00 -0.98 115.31 120.15 2gqb h LEU 83 Ca 0.00 0.09 0.09 0.00 0.13 0.00 0.00 57.88 58.19 2gqb h LEU 83 Cb 0.00 0.17 -0.04 0.00 -0.53 0.00 0.00 40.66 40.26 2gqb h LEU 83 CO 0.00 -0.05 0.41 0.28 -0.13 0.00 0.00 178.44 178.95 2gqb h SER 84 N 0.10 0.42 0.06 1.25 0.02 -1.98 -0.14 113.55 113.27 2gqb h SER 84 Ca 0.19 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2gqb h SER 84 Cb 0.27 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.73 2gqb h SER 84 CO -0.33 0.26 -0.03 0.00 -1.14 0.00 0.00 176.83 175.59 2gqb h ALA 85 N 1.69 -0.08 0.00 3.77 0.00 -1.53 -1.83 119.26 121.28 2gqb h ALA 85 Ca 0.28 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2gqb h ALA 85 Cb 0.48 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2gqb h ALA 85 CO -0.08 -0.19 -0.17 0.00 0.00 0.00 0.00 179.25 178.81 2gqb h ARG 86 N -0.78 0.00 0.12 0.00 -0.00 -1.20 -1.56 114.38 110.96 2gqb h ARG 86 Ca -0.01 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.47 2gqb h ARG 86 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.60 2gqb h ARG 86 CO 0.01 0.17 -0.06 -0.22 0.00 0.00 0.00 179.97 179.87 2gqb h LYS 87 N 0.00 -0.15 -0.04 0.04 1.63 -0.99 -3.05 116.57 114.01 2gqb h LYS 87 Ca -0.00 0.01 -0.16 0.00 -0.85 0.00 0.00 60.65 59.64 2gqb h LYS 87 Cb 0.41 0.03 0.01 0.00 -0.60 0.00 0.00 32.23 32.09 2gqb h LYS 87 CO 0.02 0.31 -0.62 1.05 -3.45 0.00 0.00 179.45 176.76 2gqb h GLU 88 N -0.71 0.49 -0.93 1.90 4.11 -1.18 -2.57 114.58 115.68 2gqb h GLU 88 Ca -0.02 -0.47 0.06 0.00 0.07 0.00 0.00 59.36 59.00 2gqb h GLU 88 Cb 0.53 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.84 2gqb h GLU 88 CO 0.03 1.11 0.60 1.25 0.07 0.00 0.00 179.01 182.07 2gqb h LEU 89 N 0.05 0.96 -0.34 3.06 5.85 -1.43 -0.60 115.31 122.86 2gqb h LEU 89 Ca -0.06 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.55 2gqb h LEU 89 Cb 1.29 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2gqb h LEU 89 CO 0.12 0.63 -0.22 0.00 -0.34 0.00 0.00 178.44 178.63 2gqb h ALA 90 N 1.42 0.49 0.00 1.25 0.00 -1.55 -3.09 119.26 117.77 2gqb h ALA 90 Ca 0.40 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2gqb h ALA 90 Cb 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2gqb h ALA 90 CO -0.16 0.46 -0.26 1.57 0.00 0.00 0.00 179.25 180.86 2gqb h LYS 91 N 0.53 0.00 -0.16 0.00 2.10 -0.91 0.54 116.57 118.68 2gqb h LYS 91 Ca 0.07 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.62 2gqb h LYS 91 Cb 0.78 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.10 2gqb h LYS 91 CO 0.06 0.26 -0.36 0.93 -2.00 0.00 0.00 179.45 178.34 2gqb h GLU 92 N 0.00 0.33 0.08 0.07 4.39 -1.08 -3.27 114.58 115.10 2gqb h GLU 92 Ca -0.00 -0.14 -0.28 0.00 0.34 0.00 0.00 59.36 59.28 2gqb h GLU 92 Cb 0.78 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 2gqb h GLU 92 CO 0.03 0.65 -1.47 -0.07 -1.16 0.00 0.00 179.01 176.99 2gqb h LEU 93 N 0.28 0.27 0.00 1.33 3.38 -1.28 -3.49 115.31 115.80 2gqb h LEU 93 Ca 0.03 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.22 2gqb h LEU 93 Cb 0.76 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2gqb h LEU 93 CO 0.06 1.62 0.00 0.61 0.09 0.00 0.00 178.44 180.82 2gqb n GLY 94 N 1.71 0.05 1.68 0.83 0.00 0.16 -5.12 105.19 104.50 2gqb n GLY 94 Ca -0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.72 2gqb n GLY 94 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2gqb n TYR 95 N 0.00 -1.73 -3.45 1.61 9.36 0.67 -4.69 117.16 118.93 2gqb n TYR 95 Ca 0.00 1.02 -0.07 0.00 3.32 0.00 0.00 57.90 62.17 2gqb n TYR 95 Cb 0.00 -2.55 -0.08 0.00 -0.63 0.00 0.00 39.34 36.08 2gqb n TYR 95 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2gqb s SER 96 N -0.23 -0.15 -0.10 2.98 0.01 -1.26 -4.97 113.70 109.98 2gqb s SER 96 Ca -0.05 0.61 -0.03 0.00 1.31 0.00 0.00 55.95 57.79 2gqb s SER 96 Cb 0.00 1.34 0.05 0.00 0.21 0.00 0.00 66.02 67.62 2gqb s SER 96 CO 0.13 -0.27 0.10 -0.83 0.41 0.00 0.00 173.24 172.78 2gqb s GLY 97 N 2.61 0.21 0.00 3.44 0.00 -1.26 -4.95 107.32 107.37 2gqb s GLY 97 Ca 0.08 0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.90 2gqb s GLY 97 CO -0.15 1.59 0.00 1.34 0.00 0.00 0.00 173.10 175.87 2gqb n ASP 98 N 5.30 0.00 0.11 1.64 -0.08 -1.26 -4.96 116.55 117.30 2gqb n ASP 98 Ca -0.05 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.35 2gqb n ASP 98 Cb 0.50 0.03 0.46 0.00 2.34 0.00 0.00 41.12 44.44 2gqb n ASP 98 CO 0.00 0.00 0.00 1.15 0.12 0.00 0.00 177.20 178.47 2gqb n MET 99 N -1.01 0.19 0.16 -0.67 0.00 -1.26 -2.83 117.12 111.70 2gqb n MET 99 Ca 0.00 0.33 0.13 0.00 0.00 0.00 0.00 57.70 58.16 2gqb n MET 99 Cb 0.00 -1.80 0.35 0.00 0.00 0.00 0.00 33.22 31.76 2gqb n MET 99 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 175.97 173.02 2gqb h ASN 100 N 0.00 0.00 -0.30 3.17 -1.07 -1.92 -3.49 115.58 111.97 2gqb h ASN 100 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2gqb h ASN 100 Cb 0.47 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.72 2gqb h ASN 100 CO 0.00 0.00 0.00 -0.67 0.07 0.00 0.00 177.43 176.83 2gqb n ASP 101 N -2.63 -3.47 0.20 6.14 -0.08 -1.13 -0.86 116.55 114.73 2gqb n ASP 101 Ca 0.04 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.44 2gqb n ASP 101 Cb 0.44 0.00 0.19 0.00 2.34 0.00 0.00 41.12 44.09 2gqb n ASP 101 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2gqb h SER 102 N 0.00 0.00 0.27 1.67 0.02 -1.95 -3.20 113.55 110.36 2gqb h SER 102 Ca 0.00 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2gqb h SER 102 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2gqb h SER 102 CO 0.00 0.00 -0.13 0.00 -1.14 0.00 0.00 176.83 175.56 2gqb h ALA 103 N 2.05 -0.71 0.00 3.77 0.00 -1.98 -2.85 119.26 119.54 2gqb h ALA 103 Ca 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2gqb h ALA 103 Cb 0.97 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2gqb h ALA 103 CO 0.00 -0.69 -0.14 0.77 0.00 0.00 0.00 179.25 179.20 2gqb h SER 104 N -0.52 0.00 -0.63 0.00 0.02 -1.18 -2.85 113.55 108.39 2gqb h SER 104 Ca -0.04 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 2gqb h SER 104 Cb 0.28 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 2gqb h SER 104 CO 0.06 0.14 0.30 -0.03 -1.14 0.00 0.00 176.83 176.15 2gqb h MET 105 N 0.00 0.92 -0.40 3.45 -1.53 -1.56 0.21 114.93 116.02 2gqb h MET 105 Ca -0.00 -0.14 -0.12 0.00 -3.44 0.00 0.00 59.70 56.00 2gqb h MET 105 Cb 0.74 -0.16 -0.01 0.00 -0.55 0.00 0.00 31.60 31.62 2gqb h MET 105 CO 0.02 0.74 -0.22 -0.97 0.14 0.00 0.00 176.91 176.62 2gqb h ASN 106 N 0.87 0.89 -0.05 1.39 -1.24 -1.26 -2.37 115.58 113.81 2gqb h ASN 106 Ca 0.22 -0.41 -0.07 0.00 0.71 0.00 0.00 56.30 56.74 2gqb h ASN 106 Cb 0.13 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 38.94 2gqb h ASN 106 CO -0.03 1.10 -0.25 0.40 -1.29 0.00 0.00 177.43 177.37 2gqb h ILE 107 N 0.67 1.46 -0.07 2.57 2.04 -1.42 -2.34 117.51 120.42 2gqb h ILE 107 Ca 0.09 -1.71 -0.00 0.00 1.00 0.00 0.00 64.86 64.24 2gqb h ILE 107 Cb 0.78 2.42 -0.00 0.00 -0.74 0.00 0.00 36.82 39.28 2gqb h ILE 107 CO 0.06 0.48 0.04 -0.25 0.00 0.00 0.00 178.15 178.49 2gqb h TRP 108 N -0.29 0.10 -0.65 1.37 7.01 -0.65 -2.30 115.95 120.53 2gqb h TRP 108 Ca -0.02 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.95 2gqb h TRP 108 Cb 0.91 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.91 2gqb h TRP 108 CO 0.14 0.10 0.28 1.25 -2.79 0.00 0.00 178.44 177.42 2gqb h LEU 109 N 0.06 0.86 -0.22 0.65 5.85 -1.51 -2.29 115.31 118.71 2gqb h LEU 109 Ca 0.03 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.66 2gqb h LEU 109 Cb 0.03 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2gqb h LEU 109 CO -0.00 0.75 0.09 -0.74 -0.34 0.00 0.00 178.44 178.20 2gqb h HIS 110 N 0.93 0.16 -0.44 1.25 2.76 -1.10 -1.18 115.15 117.53 2gqb h HIS 110 Ca 0.22 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.33 2gqb h HIS 110 Cb 0.15 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.05 2gqb h HIS 110 CO 0.01 0.08 -0.00 0.87 -1.30 0.00 0.00 177.93 177.59 2gqb h LYS 111 N 0.20 0.78 -0.56 5.26 1.57 -1.07 -0.25 116.57 122.49 2gqb h LYS 111 Ca 0.09 -0.25 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 2gqb h LYS 111 Cb 0.05 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2gqb h LYS 111 CO -0.08 0.85 0.10 1.96 -0.57 0.00 0.00 179.45 181.71 2gqb h GLN 112 N 0.62 0.93 -0.36 3.15 7.50 -1.28 -2.13 115.11 123.54 2gqb h GLN 112 Ca 0.12 -0.24 -0.07 0.00 0.50 0.00 0.00 58.65 58.97 2gqb h GLN 112 Cb 0.50 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 27.90 2gqb h GLN 112 CO 0.02 0.88 -0.05 0.28 -1.50 0.00 0.00 178.83 178.46 2gqb h VAL 113 N 0.82 1.23 -0.89 -0.54 2.07 -1.07 -2.54 116.25 115.33 2gqb h VAL 113 Ca 0.17 -0.96 0.04 0.00 0.82 0.00 0.00 66.70 66.78 2gqb h VAL 113 Cb 0.40 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 2gqb h VAL 113 CO 0.01 0.32 0.58 0.24 0.02 0.00 0.00 177.57 178.74 2gqb h MET 114 N 0.56 1.05 0.00 1.57 2.86 -0.42 -0.02 114.93 120.53 2gqb h MET 114 Ca 0.11 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2gqb h MET 114 Cb 0.44 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 31.86 2gqb h MET 114 CO 0.02 0.69 -0.06 1.03 1.06 0.00 0.00 176.91 179.65 2gqb h SER 115 N 1.08 0.00 0.17 1.22 0.87 -0.98 -0.35 113.55 115.56 2gqb h SER 115 Ca 0.36 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 2gqb h SER 115 Cb 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2gqb h SER 115 CO -0.12 0.06 -0.61 0.29 -0.53 0.00 0.00 176.83 175.93 2gqb n LYS 116 N -3.24 0.44 0.00 2.24 4.76 -0.16 -4.14 118.16 118.05 2gqb n LYS 116 Ca -0.00 -0.32 0.00 0.00 -2.87 0.00 0.00 58.31 55.11 2gqb n LYS 116 Cb 0.28 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 2gqb n LYS 116 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2gqb n LEU 117 N -1.00 0.00 0.14 -0.35 4.77 -0.38 -4.68 117.00 115.49 2gqb n LEU 117 Ca 0.07 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.17 2gqb n LEU 117 Cb 0.37 -0.35 0.51 0.00 -2.33 0.00 0.00 43.42 41.61 2gqb n LEU 117 CO 0.34 -0.39 0.85 1.33 -1.33 0.00 0.00 177.39 178.19 2gqb n VAL 118 N -2.28 0.88 0.31 4.08 0.24 -0.28 -1.07 118.33 120.22 2gqb n VAL 118 Ca 0.00 0.34 0.15 0.00 -2.04 0.00 0.00 64.34 62.78 2gqb n VAL 118 Cb 0.00 -1.28 0.67 0.00 -1.47 0.00 0.00 33.84 31.76 2gqb n VAL 118 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gqb h ALA 119 N 2.21 1.00 -0.11 2.33 0.00 -1.72 0.36 119.26 123.33 2gqb h ALA 119 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2gqb h ALA 119 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2gqb h ALA 119 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 2gqb n ASN 120 N -2.59 0.89 0.00 0.00 3.02 -0.23 -4.79 115.26 111.55 2gqb n ASN 120 Ca 0.00 -1.69 0.00 0.00 -0.03 0.00 0.00 54.58 52.87 2gqb n ASN 120 Cb 0.19 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 2gqb n ASN 120 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gqb n GLY 121 N 0.92 1.51 3.74 7.41 0.00 -0.62 -4.99 105.19 113.16 2gqb n GLY 121 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2gqb n GLY 121 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gqb s GLY 122 N -2.00 3.01 -0.12 -0.02 0.00 0.02 -0.33 107.32 107.88 2gqb s GLY 122 Ca 0.00 0.73 -0.01 0.00 0.00 0.00 0.00 44.72 45.44 2gqb s GLY 122 CO 0.00 1.44 -0.08 1.25 0.00 0.00 0.00 173.10 175.71 2gqb s LYS 123 N -0.76 3.25 0.05 2.90 2.20 0.29 -4.76 119.74 122.91 2gqb s LYS 123 Ca 0.45 -0.59 0.03 0.00 -0.36 0.00 0.00 55.97 55.50 2gqb s LYS 123 Cb -0.28 -2.70 -0.02 0.00 -1.51 0.00 0.00 37.83 33.32 2gqb s LYS 123 CO 0.34 0.37 -0.09 -0.48 -0.36 0.00 0.00 175.35 175.14 2gqb s LEU 124 N -0.03 2.26 0.64 5.43 -0.00 -1.26 -1.03 118.68 124.68 2gqb s LEU 124 Ca -0.01 -0.56 -0.17 0.00 -0.00 0.00 0.00 54.13 53.39 2gqb s LEU 124 Cb -0.14 -0.22 -0.01 0.00 -0.00 0.00 0.00 46.19 45.82 2gqb s LEU 124 CO 0.03 -0.18 1.16 -2.84 -0.00 0.00 0.00 176.35 174.52 2gqb s PRO 125 N -1.61 2.80 0.00 1.48 0.02 -1.26 -4.89 135.00 131.54 2gqb s PRO 125 Ca -0.09 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.57 2gqb s PRO 125 Cb -0.10 -1.93 0.03 0.00 0.02 0.00 0.00 34.50 32.52 2gqb s PRO 125 CO 0.01 -1.30 0.30 -2.30 -0.33 0.00 0.00 177.00 173.38 2gqb n PRO 126 N -2.05 0.26 0.04 5.54 -0.02 -1.26 -1.81 135.00 135.70 2gqb n PRO 126 Ca 0.12 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.61 2gqb n PRO 126 Cb 0.51 -1.03 -0.07 0.00 -0.02 0.00 0.00 33.50 32.89 2gqb n PRO 126 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2gqb h GLU 127 N 0.00 0.00 -4.09 -0.52 5.08 -2.01 -3.41 114.58 109.64 2gqb h GLU 127 Ca 0.00 0.00 -0.77 0.00 -1.00 0.00 0.00 59.36 57.59 2gqb h GLU 127 Cb 0.00 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.01 2gqb h GLU 127 CO 0.00 0.29 0.70 0.42 -1.00 0.00 0.00 179.01 179.41 2gqb s ILE 128 N -2.95 5.55 -0.30 3.13 1.09 -0.75 -4.77 121.20 122.20 2gqb s ILE 128 Ca -0.02 -2.88 -0.17 0.00 -1.10 0.00 0.00 60.65 56.48 2gqb s ILE 128 Cb 0.09 -4.69 0.18 0.00 -1.06 0.00 0.00 42.46 36.97 2gqb s ILE 128 CO 0.81 -1.32 1.19 -0.75 -0.10 0.00 0.00 174.94 174.77 2gqb s LYS 129 N 0.14 0.01 0.00 2.79 2.36 -1.26 -4.95 119.74 118.83 2gqb s LYS 129 Ca 0.32 0.02 0.14 0.00 -2.55 0.00 0.00 55.97 53.90 2gqb s LYS 129 Cb -0.07 0.01 0.11 0.00 -1.05 0.00 0.00 37.83 36.83 2gqb s LYS 129 CO -0.06 -0.02 0.95 0.72 1.55 0.00 0.00 175.35 178.49