#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gqb s SER 2 N 0.00 -0.68 0.30 6.12 0.01 -1.26 -4.93 113.70 113.26 2gqb s SER 2 Ca 0.00 -0.69 -0.00 0.00 1.31 0.00 0.00 55.95 56.56 2gqb s SER 2 Cb 0.00 0.88 0.46 0.00 0.21 0.00 0.00 66.02 67.58 2gqb s SER 2 CO 0.00 -0.04 1.89 0.40 0.41 0.00 0.00 173.24 175.90 2gqb h ILE 3 N 3.52 1.21 0.00 1.44 2.04 -1.94 -1.16 117.51 122.62 2gqb h ILE 3 Ca 0.01 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 2gqb h ILE 3 Cb 1.17 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2gqb h ILE 3 CO -0.06 0.26 -0.12 2.19 0.00 0.00 0.00 178.15 180.42 2gqb h PHE 4 N 0.85 0.00 0.00 1.37 -5.15 -1.95 0.12 116.94 112.17 2gqb h PHE 4 Ca 0.20 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.97 2gqb h PHE 4 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.32 2gqb h PHE 4 CO 0.01 0.12 -0.28 0.41 -2.00 0.00 0.00 178.31 176.58 2gqb n GLY 5 N -1.07 -1.42 0.13 6.09 0.00 -0.52 -2.99 105.19 105.40 2gqb n GLY 5 Ca -0.02 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 2gqb n GLY 5 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gqb h LYS 6 N 0.00 0.26 -0.11 1.61 1.57 -0.19 -3.28 116.57 116.44 2gqb h LYS 6 Ca 0.00 -0.44 -0.19 0.00 -1.87 0.00 0.00 60.65 58.15 2gqb h LYS 6 Cb 0.57 0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 2gqb h LYS 6 CO 0.00 1.14 -0.72 -0.84 -0.57 0.00 0.00 179.45 178.47 2gqb h ILE 7 N 0.07 1.35 0.00 1.86 3.07 -1.33 -2.97 117.51 119.55 2gqb h ILE 7 Ca -0.39 -2.06 0.00 0.00 1.55 0.00 0.00 64.86 63.96 2gqb h ILE 7 Cb 2.04 2.04 0.00 0.00 -0.27 0.00 0.00 36.82 40.63 2gqb h ILE 7 CO 0.11 0.63 0.00 1.15 -1.05 0.00 0.00 178.15 178.99 2gqb n MET 8 N -3.87 0.22 0.28 0.16 0.00 -1.16 -2.32 117.12 110.42 2gqb n MET 8 Ca -0.05 0.39 0.16 0.00 0.00 0.00 0.00 57.70 58.20 2gqb n MET 8 Cb 0.70 -1.88 0.79 0.00 0.00 0.00 0.00 33.22 32.84 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 0.00 3.17 0.87 -1.57 0.10 113.55 116.13 2gqb h SER 9 Ca 0.00 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 60.15 2gqb h SER 9 Cb 0.44 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.33 2gqb h SER 9 CO 0.00 0.07 -2.47 0.00 -0.53 0.00 0.00 176.83 173.90 2gqb n ALA 10 N -2.17 1.35 -0.00 6.23 0.00 -0.98 -3.20 120.51 121.74 2gqb n ALA 10 Ca -0.01 -1.09 -0.10 0.00 0.00 0.00 0.00 53.44 52.24 2gqb n ALA 10 Cb 0.25 -0.06 -0.05 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.26 0.94 -0.42 0.00 2.04 -1.34 -2.45 117.51 116.02 2gqb h ILE 11 Ca -0.61 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.24 2gqb h ILE 11 Cb 1.83 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.80 2gqb h ILE 11 CO -0.17 0.01 0.00 0.49 0.00 0.00 0.00 178.15 178.48 2gqb n PHE 12 N -5.10 0.54 0.47 1.37 3.01 0.01 -4.26 117.46 113.50 2gqb n PHE 12 Ca -0.05 -0.27 0.11 0.00 1.01 0.00 0.00 57.45 58.25 2gqb n PHE 12 Cb 0.06 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.39 2gqb n PHE 12 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2gqb n GLY 13 N 1.53 -1.01 3.99 1.37 0.00 -0.96 -4.96 105.19 105.14 2gqb n GLY 13 Ca 0.20 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 2gqb n GLY 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gqb s ASP 14 N -3.81 4.79 0.00 1.61 -1.08 -0.96 -4.96 116.67 112.25 2gqb s ASP 14 Ca -0.00 -0.23 0.00 0.00 -0.52 0.00 0.00 52.55 51.79 2gqb s ASP 14 Cb 0.15 -0.37 0.00 0.00 -1.46 0.00 0.00 42.92 41.24 2gqb s ASP 14 CO 0.89 -1.53 0.17 -1.54 0.52 0.00 0.00 175.17 173.68 2gqb n SER 15 N -2.60 0.00 0.00 -0.34 3.41 -1.26 -4.96 113.62 107.87 2gqb n SER 15 Ca 0.12 -1.03 0.00 0.00 -0.26 0.00 0.00 58.87 57.70 2gqb n SER 15 Cb 0.60 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 2gqb n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gqb n ALA 16 N 0.00 0.82 -2.49 7.33 0.00 -1.26 -5.07 120.51 119.84 2gqb n ALA 16 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2gqb n ALA 16 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.90 2gqb n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gqb s ALA 17 N -1.00 3.63 -1.42 0.00 0.00 -1.26 -4.23 121.76 117.48 2gqb s ALA 17 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.60 2gqb s ALA 17 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 20.78 2gqb s ALA 17 CO 0.00 0.55 0.00 0.00 0.00 0.00 0.00 175.76 176.31 2gqb n ALA 18 N -0.09 -0.20 -2.42 0.00 0.00 -1.26 -4.94 120.51 111.59 2gqb n ALA 18 Ca -0.00 0.22 -0.42 0.00 0.00 0.00 0.00 53.44 53.23 2gqb n ALA 18 Cb 0.52 -1.59 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 2gqb n ALA 18 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2gqb s SER 19 N -2.71 7.00 0.56 0.00 0.01 -1.26 -4.15 113.70 113.14 2gqb s SER 19 Ca 0.00 1.81 -0.16 0.00 1.31 0.00 0.00 55.95 58.91 2gqb s SER 19 Cb 0.00 -2.55 -0.06 0.00 0.21 0.00 0.00 66.02 63.62 2gqb s SER 19 CO 0.00 -0.65 1.03 -2.16 0.41 0.00 0.00 173.24 171.87 2gqb s PRO 20 N 2.62 3.59 0.00 12.44 0.04 -1.26 -5.00 135.00 147.43 2gqb s PRO 20 Ca 0.56 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2gqb s PRO 20 Cb -0.24 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.22 2gqb s PRO 20 CO 0.20 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 177.07 2gqb n GLY 21 N -1.17 -0.41 3.12 0.56 0.00 -1.26 -5.09 105.19 100.93 2gqb n GLY 21 Ca 0.08 -1.23 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 2gqb n GLY 21 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gqb s GLY 22 N 0.00 1.60 -0.38 -0.02 0.00 -1.26 -5.08 107.32 102.18 2gqb s GLY 22 Ca 0.00 -1.58 -0.10 0.00 0.00 0.00 0.00 44.72 43.04 2gqb s GLY 22 CO 0.00 0.52 0.20 0.00 0.00 0.00 0.00 173.10 173.82 2gqb s ALA 23 N 1.21 3.24 0.26 3.20 0.00 -1.26 -5.08 121.76 123.32 2gqb s ALA 23 Ca -0.03 -1.80 -0.11 0.00 0.00 0.00 0.00 51.96 50.01 2gqb s ALA 23 Cb -0.18 -2.55 -0.08 0.00 0.00 0.00 0.00 23.12 20.31 2gqb s ALA 23 CO -0.06 -1.43 0.61 -0.65 0.00 0.00 0.00 175.76 174.22 2gqb s GLN 24 N 1.51 3.87 0.22 0.00 -0.21 -1.26 -5.03 119.66 118.76 2gqb s GLN 24 Ca 0.01 0.40 -0.31 0.00 0.02 0.00 0.00 55.36 55.48 2gqb s GLN 24 Cb -0.20 -2.59 -0.11 0.00 1.00 0.00 0.00 33.01 31.11 2gqb s GLN 24 CO 0.05 0.27 1.61 0.00 -2.12 0.00 0.00 175.29 175.10 2gqb s ALA 25 N -1.86 3.80 0.08 6.09 0.00 -1.26 -4.90 121.76 123.72 2gqb s ALA 25 Ca 0.49 1.49 -0.34 0.00 0.00 0.00 0.00 51.96 53.60 2gqb s ALA 25 Cb -0.11 -3.64 -0.13 0.00 0.00 0.00 0.00 23.12 19.24 2gqb s ALA 25 CO 0.20 -0.87 1.70 -2.30 0.00 0.00 0.00 175.76 174.49 2gqb n PRO 26 N 3.30 2.25 -4.34 0.00 -0.02 -1.26 -4.99 135.00 129.95 2gqb n PRO 26 Ca 0.12 0.82 -0.17 0.00 -2.02 0.00 0.00 63.50 62.24 2gqb n PRO 26 Cb 0.37 -2.63 -0.10 0.00 -0.02 0.00 0.00 33.50 31.12 2gqb n PRO 26 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gqb s ALA 27 N 2.07 1.84 0.05 3.55 0.00 -1.26 -5.17 121.76 122.85 2gqb s ALA 27 Ca 0.83 -1.83 -0.07 0.00 0.00 0.00 0.00 51.96 50.89 2gqb s ALA 27 Cb -0.66 0.68 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 2gqb s ALA 27 CO 0.42 -0.33 0.15 -0.08 0.00 0.00 0.00 175.76 175.92 2gqb s THR 28 N -3.52 0.14 -0.02 0.00 -1.32 -1.26 -5.05 115.64 104.61 2gqb s THR 28 Ca 0.32 -1.11 0.08 0.00 -1.21 0.00 0.00 61.69 59.77 2gqb s THR 28 Cb 0.07 -1.08 -0.12 0.00 -1.51 0.00 0.00 72.50 69.85 2gqb s THR 28 CO 0.11 -0.61 0.16 1.07 -2.21 0.00 0.00 174.62 173.14 2gqb n THR 29 N 0.44 0.04 0.00 5.08 5.66 -1.26 -5.13 114.28 119.11 2gqb n THR 29 Ca -0.17 -0.19 0.00 0.00 -3.05 0.00 0.00 64.05 60.63 2gqb n THR 29 Cb 0.60 0.22 0.00 0.00 -1.55 0.00 0.00 70.33 69.60 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 2.09 -0.08 7.00 1.09 0.00 -1.26 -5.08 105.19 108.95 2gqb n GLY 30 Ca -0.02 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.16 2gqb n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gqb n ALA 31 N 0.21 0.00 -2.61 4.61 0.00 -1.26 -4.50 120.51 116.96 2gqb n ALA 31 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2gqb n ALA 31 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 2gqb n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gqb s ALA 32 N -1.96 3.43 -0.97 0.00 0.00 -1.26 -5.00 121.76 116.00 2gqb s ALA 32 Ca 0.00 -1.65 -0.04 0.00 0.00 0.00 0.00 51.96 50.27 2gqb s ALA 32 Cb 0.00 -3.14 0.25 0.00 0.00 0.00 0.00 23.12 20.23 2gqb s ALA 32 CO 0.00 -1.72 0.96 0.41 0.00 0.00 0.00 175.76 175.42 2gqb n GLY 33 N 5.14 4.30 3.57 0.00 0.00 -1.26 -5.02 105.19 111.93 2gqb n GLY 33 Ca -0.08 -2.61 -0.40 0.00 0.00 0.00 0.00 46.02 42.93 2gqb n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gqb s THR 34 N -1.58 3.35 0.11 2.61 2.01 -1.26 -4.96 115.64 115.92 2gqb s THR 34 Ca 0.30 0.29 0.05 0.00 0.31 0.00 0.00 61.69 62.64 2gqb s THR 34 Cb -0.05 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 2gqb s THR 34 CO -0.08 -0.53 0.04 0.00 -0.69 0.00 0.00 174.62 173.36 2gqb s ALA 35 N 8.46 3.41 0.25 7.40 0.00 -1.26 -5.08 121.76 134.94 2gqb s ALA 35 Ca 0.78 -1.12 -0.31 0.00 0.00 0.00 0.00 51.96 51.31 2gqb s ALA 35 Cb -0.18 -1.27 -0.12 0.00 0.00 0.00 0.00 23.12 21.54 2gqb s ALA 35 CO 0.28 0.67 1.58 -2.30 0.00 0.00 0.00 175.76 175.98 2gqb n PRO 36 N 0.33 2.49 -2.58 0.00 -0.02 -1.26 -4.93 135.00 129.03 2gqb n PRO 36 Ca -0.10 0.89 -0.43 0.00 -2.02 0.00 0.00 63.50 61.84 2gqb n PRO 36 Cb 0.52 -2.65 -0.02 0.00 -0.02 0.00 0.00 33.50 31.33 2gqb n PRO 36 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2gqb s THR 37 N 0.34 4.24 -0.40 3.45 -4.23 -1.26 -4.99 115.64 112.79 2gqb s THR 37 Ca 0.69 1.30 0.01 0.00 -1.18 0.00 0.00 61.69 62.52 2gqb s THR 37 Cb -0.56 -4.52 0.11 0.00 1.34 0.00 0.00 72.50 68.87 2gqb s THR 37 CO 0.44 -0.87 0.15 0.00 -0.54 0.00 0.00 174.62 173.80 2gqb s ALA 38 N 4.38 3.08 -0.45 3.99 0.00 -1.26 -5.07 121.76 126.43 2gqb s ALA 38 Ca 0.49 -2.68 -0.29 0.00 0.00 0.00 0.00 51.96 49.48 2gqb s ALA 38 Cb -0.09 -2.19 0.01 0.00 0.00 0.00 0.00 23.12 20.85 2gqb s ALA 38 CO 0.28 -1.80 1.41 -2.14 0.00 0.00 0.00 175.76 173.52 2gqb s PRO 39 N 0.77 3.50 -0.29 0.00 0.02 -1.26 -4.99 135.00 132.75 2gqb s PRO 39 Ca 0.11 0.81 -0.23 0.00 0.02 0.00 0.00 61.00 61.71 2gqb s PRO 39 Cb -0.21 -4.05 -0.00 0.00 0.02 0.00 0.00 34.50 30.25 2gqb s PRO 39 CO -0.05 -1.66 0.77 -0.65 -0.33 0.00 0.00 177.00 175.07 2gqb s GLN 40 N 5.09 4.03 0.21 5.54 -0.21 -1.26 -5.02 119.66 128.04 2gqb s GLN 40 Ca 0.59 0.66 -0.31 0.00 0.02 0.00 0.00 55.36 56.32 2gqb s GLN 40 Cb -0.13 -3.70 -0.10 0.00 1.00 0.00 0.00 33.01 30.08 2gqb s GLN 40 CO 0.31 -0.61 1.52 -1.25 -2.12 0.00 0.00 175.29 173.14 2gqb s PRO 41 N 2.86 4.23 -0.86 2.91 0.04 -1.26 -4.93 135.00 137.99 2gqb s PRO 41 Ca 0.32 2.36 -0.25 0.00 0.04 0.00 0.00 61.00 63.47 2gqb s PRO 41 Cb -0.15 -3.12 0.04 0.00 0.04 0.00 0.00 34.50 31.31 2gqb s PRO 41 CO 0.11 -0.54 1.34 0.99 0.04 0.00 0.00 177.00 178.94 2gqb s THR 42 N 0.58 3.84 0.38 1.26 2.01 -1.26 -4.98 115.64 117.46 2gqb s THR 42 Ca 0.65 -0.15 0.07 0.00 0.31 0.00 0.00 61.69 62.57 2gqb s THR 42 Cb -0.43 -4.97 -0.00 0.00 0.01 0.00 0.00 72.50 67.10 2gqb s THR 42 CO 0.38 -1.88 0.48 0.00 -0.69 0.00 0.00 174.62 172.91 2gqb s ALA 43 N 5.32 4.30 -0.40 7.40 0.00 -1.26 -5.09 121.76 132.02 2gqb s ALA 43 Ca 0.39 -1.61 0.03 0.00 0.00 0.00 0.00 51.96 50.78 2gqb s ALA 43 Cb -0.05 -1.54 0.16 0.00 0.00 0.00 0.00 23.12 21.69 2gqb s ALA 43 CO 0.04 -0.15 0.37 0.00 0.00 0.00 0.00 175.76 176.01 2gqb s ALA 44 N -2.29 0.40 -0.03 0.00 0.00 -1.26 -5.00 121.76 113.58 2gqb s ALA 44 Ca 0.49 -1.70 0.11 0.00 0.00 0.00 0.00 51.96 50.86 2gqb s ALA 44 Cb -0.09 -1.85 -0.07 0.00 0.00 0.00 0.00 23.12 21.11 2gqb s ALA 44 CO 0.31 -2.08 1.34 -1.00 0.00 0.00 0.00 175.76 174.33 2gqb h PRO 45 N 6.24 0.00 -2.55 0.00 0.13 -2.00 -3.46 132.00 130.36 2gqb h PRO 45 Ca 0.14 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.17 2gqb h PRO 45 Cb 0.99 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.88 2gqb h PRO 45 CO 0.26 0.72 -0.14 -1.12 -0.23 0.00 0.00 178.00 177.49 2gqb s SER 46 N -6.55 -0.51 -0.66 1.44 0.01 -1.26 -5.08 113.70 101.08 2gqb s SER 46 Ca 0.02 0.99 -0.18 0.00 1.31 0.00 0.00 55.95 58.10 2gqb s SER 46 Cb 0.09 1.00 0.13 0.00 0.21 0.00 0.00 66.02 67.45 2gqb s SER 46 CO 0.78 -0.17 0.74 -0.63 0.41 0.00 0.00 173.24 174.37 2gqb s ILE 47 N 0.27 5.00 -0.51 1.44 -1.09 -1.25 -4.90 121.20 120.16 2gqb s ILE 47 Ca -0.00 -1.39 -0.29 0.00 -2.23 0.00 0.00 60.65 56.75 2gqb s ILE 47 Cb -0.03 -4.50 0.03 0.00 -1.58 0.00 0.00 42.46 36.37 2gqb s ILE 47 CO 0.01 -1.12 1.19 -0.62 -1.23 0.00 0.00 174.94 173.17 2gqb s ASP 48 N 3.38 6.52 0.34 3.58 -1.08 -1.26 0.11 116.67 128.26 2gqb s ASP 48 Ca 0.14 0.37 0.24 0.00 -0.52 0.00 0.00 52.55 52.78 2gqb s ASP 48 Cb -0.20 -2.55 0.49 0.00 -1.46 0.00 0.00 42.92 39.20 2gqb s ASP 48 CO 0.01 -1.37 1.64 0.58 0.52 0.00 0.00 175.17 176.55 2gqb h VAL 49 N 6.24 0.00 0.31 1.11 2.07 -1.67 -3.35 116.25 120.96 2gqb h VAL 49 Ca -0.24 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 2gqb h VAL 49 Cb 1.06 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 2gqb h VAL 49 CO 1.15 0.00 -0.15 0.00 0.02 0.00 0.00 177.57 178.59 2gqb h ALA 50 N 2.20 -0.42 0.00 1.67 0.00 -1.89 -2.19 119.26 118.63 2gqb h ALA 50 Ca 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2gqb h ALA 50 Cb 0.90 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2gqb h ALA 50 CO 0.00 -0.68 -0.44 -1.00 0.00 0.00 0.00 179.25 177.12 2gqb h PRO 51 N -0.52 0.00 0.64 0.00 0.13 -1.87 -2.71 132.00 127.66 2gqb h PRO 51 Ca -0.04 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.06 2gqb h PRO 51 Cb 0.39 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.53 2gqb h PRO 51 CO 0.07 0.44 -0.31 0.82 -0.23 0.00 0.00 178.00 178.80 2gqb h ILE 52 N 0.00 0.31 0.02 -3.56 2.04 -1.64 -2.96 117.51 111.71 2gqb h ILE 52 Ca -0.00 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 2gqb h ILE 52 Cb 0.83 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2gqb h ILE 52 CO 0.06 0.02 -0.18 -0.07 0.00 0.00 0.00 178.15 177.98 2gqb h LEU 53 N -0.99 0.13 -1.34 1.44 3.38 -1.46 -1.71 115.31 114.76 2gqb h LEU 53 Ca -0.09 -0.87 0.13 0.00 0.09 0.00 0.00 57.88 57.15 2gqb h LEU 53 Cb 0.69 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 2gqb h LEU 53 CO 0.14 0.98 0.55 -0.78 0.09 0.00 0.00 178.44 179.43 2gqb h ASP 54 N -0.71 0.62 -0.11 -0.43 3.58 -1.62 0.92 116.42 118.68 2gqb h ASP 54 Ca -0.03 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2gqb h ASP 54 Cb 1.02 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.98 2gqb h ASP 54 CO 0.03 0.33 0.00 0.29 -2.88 0.00 0.00 179.24 177.01 2gqb n LYS 55 N -4.54 1.57 0.01 0.28 5.02 -1.12 -3.41 118.16 115.97 2gqb n LYS 55 Ca 0.16 -1.64 -0.04 0.00 -2.02 0.00 0.00 58.31 54.78 2gqb n LYS 55 Cb 0.45 -1.33 -0.11 0.00 -0.02 0.00 0.00 35.03 34.02 2gqb n LYS 55 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gqb n ALA 56 N 0.95 1.76 -0.15 7.82 0.00 -0.58 -4.03 120.51 126.27 2gqb n ALA 56 Ca 0.11 -0.65 -0.10 0.00 0.00 0.00 0.00 53.44 52.80 2gqb n ALA 56 Cb 0.43 -0.89 0.03 0.00 0.00 0.00 0.00 19.45 19.01 2gqb n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2gqb h VAL 57 N 0.00 1.27 0.00 0.00 2.07 -0.92 -1.25 116.25 117.42 2gqb h VAL 57 Ca -0.22 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 65.97 2gqb h VAL 57 Cb 1.76 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 2gqb h VAL 57 CO 0.06 0.46 0.00 2.29 0.02 0.00 0.00 177.57 180.40 2gqb n LYS 58 N -4.12 0.79 -0.00 1.57 2.85 -1.22 -0.84 118.16 117.18 2gqb n LYS 58 Ca 0.01 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.33 2gqb n LYS 58 Cb 0.43 -1.41 -0.07 0.00 -0.65 0.00 0.00 35.03 33.33 2gqb n LYS 58 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2gqb n ALA 59 N -0.91 3.58 -0.01 0.58 0.00 -0.72 -4.59 120.51 118.43 2gqb n ALA 59 Ca 0.16 -0.35 -0.10 0.00 0.00 0.00 0.00 53.44 53.14 2gqb n ALA 59 Cb 0.07 -0.46 -0.08 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.08 0.00 0.00 1.63 0.14 -3.49 116.57 114.76 2gqb h LYS 60 Ca 0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2gqb h LYS 60 Cb 0.32 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 2gqb h LYS 60 CO 0.00 0.46 0.00 0.41 -3.45 0.00 0.00 179.45 176.87 2gqb n GLY 61 N 1.19 -1.29 3.64 5.01 0.00 -1.09 -5.11 105.19 107.54 2gqb n GLY 61 Ca -0.07 0.50 -0.28 0.00 0.00 0.00 0.00 46.02 46.17 2gqb n GLY 61 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2gqb s GLU 62 N 0.00 1.99 -0.99 1.61 -1.05 -1.26 -4.94 118.70 114.06 2gqb s GLU 62 Ca 0.00 -2.13 -0.22 0.00 -0.15 0.00 0.00 54.97 52.48 2gqb s GLU 62 Cb 0.00 -1.64 0.08 0.00 -0.44 0.00 0.00 34.13 32.13 2gqb s GLU 62 CO 0.00 -0.08 1.35 0.21 0.95 0.00 0.00 175.26 177.69 2gqb s LYS 63 N -3.73 3.60 0.28 -4.83 2.47 -1.26 -4.45 119.74 111.81 2gqb s LYS 63 Ca 0.33 -1.33 -0.29 0.00 -1.56 0.00 0.00 55.97 53.12 2gqb s LYS 63 Cb 0.09 -5.22 -0.09 0.00 -1.46 0.00 0.00 37.83 31.15 2gqb s LYS 63 CO 0.17 -2.07 0.99 -0.51 0.16 0.00 0.00 175.35 174.09 2gqb s LEU 64 N 4.22 4.52 -0.46 5.43 1.43 -1.26 -5.03 118.68 127.53 2gqb s LEU 64 Ca 0.42 2.02 -0.05 0.00 -1.03 0.00 0.00 54.13 55.48 2gqb s LEU 64 Cb -0.02 -3.75 0.12 0.00 0.03 0.00 0.00 46.19 42.58 2gqb s LEU 64 CO -0.10 -0.02 0.29 -0.70 0.23 0.00 0.00 176.35 176.05 2gqb s GLU 65 N -1.54 2.24 0.46 1.70 2.56 -1.26 -4.91 118.70 117.95 2gqb s GLU 65 Ca 0.45 -1.92 0.29 0.00 0.00 0.00 0.00 54.97 53.79 2gqb s GLU 65 Cb -0.26 -3.72 0.96 0.00 2.00 0.00 0.00 34.13 33.12 2gqb s GLU 65 CO 0.32 -1.13 1.82 0.11 -0.56 0.00 0.00 175.26 175.83 2gqb h TRP 66 N 8.01 0.00 -0.01 5.30 5.08 -1.92 0.14 115.95 132.55 2gqb h TRP 66 Ca -0.13 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.79 2gqb h TRP 66 Cb 1.04 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.19 2gqb h TRP 66 CO 0.61 0.00 -0.22 0.00 -1.28 0.00 0.00 178.44 177.55 2gqb h ARG 67 N 0.00 0.02 0.00 0.12 3.08 -1.92 -3.33 114.38 112.35 2gqb h ARG 67 Ca 0.00 -0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.85 2gqb h ARG 67 Cb 0.67 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 2gqb h ARG 67 CO 0.00 0.24 -1.67 0.25 -1.07 0.00 0.00 179.97 177.72 2gqb n THR 68 N -4.27 0.67 -3.51 2.04 -2.24 -1.08 -4.75 114.28 101.13 2gqb n THR 68 Ca -0.02 -0.20 -0.39 0.00 -2.27 0.00 0.00 64.05 61.17 2gqb n THR 68 Cb 0.28 -1.36 -0.10 0.00 -2.10 0.00 0.00 70.33 67.05 2gqb n THR 68 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2gqb s SER 69 N -5.71 6.10 0.24 3.42 0.01 0.46 -4.83 113.70 113.40 2gqb s SER 69 Ca -0.16 0.07 0.11 0.00 1.31 0.00 0.00 55.95 57.28 2gqb s SER 69 Cb 0.06 -2.15 0.18 0.00 0.21 0.00 0.00 66.02 64.31 2gqb s SER 69 CO 0.23 -0.11 1.50 -0.29 0.41 0.00 0.00 173.24 174.98 2gqb h ILE 70 N 5.39 1.37 0.00 1.44 6.09 -1.81 -3.04 117.51 126.94 2gqb h ILE 70 Ca -0.34 -2.48 -0.07 0.00 -1.37 0.00 0.00 64.86 60.60 2gqb h ILE 70 Cb 1.18 2.39 -0.01 0.00 0.47 0.00 0.00 36.82 40.84 2gqb h ILE 70 CO 0.59 0.68 -0.35 1.62 -3.07 0.00 0.00 178.15 177.61 2gqb h VAL 71 N 0.00 0.88 -0.15 2.19 3.04 -1.92 -2.73 116.25 117.57 2gqb h VAL 71 Ca -0.01 -1.42 -0.11 0.00 -1.01 0.00 0.00 66.70 64.15 2gqb h VAL 71 Cb 1.33 1.86 0.00 0.00 -2.01 0.00 0.00 31.29 32.48 2gqb h VAL 71 CO 0.09 0.35 -0.34 0.44 -1.01 0.00 0.00 177.57 177.10 2gqb h ASP 72 N 0.00 0.55 0.71 3.17 3.32 -1.84 -2.07 116.42 120.25 2gqb h ASP 72 Ca -0.00 -0.57 -0.12 0.00 0.02 0.00 0.00 57.03 56.36 2gqb h ASP 72 Cb 0.83 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 2gqb h ASP 72 CO 0.05 1.02 -0.55 0.17 -1.72 0.00 0.00 179.24 178.20 2gqb h LEU 73 N 0.10 0.00 0.18 1.55 8.10 -1.61 -2.14 115.31 121.50 2gqb h LEU 73 Ca -0.00 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 2gqb h LEU 73 Cb 0.94 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.16 2gqb h LEU 73 CO 0.07 0.55 -0.09 -0.03 -4.11 0.00 0.00 178.44 174.84 2gqb h MET 74 N 0.00 -0.24 -0.40 0.17 4.05 -1.35 -2.99 114.93 114.17 2gqb h MET 74 Ca -0.01 0.02 -0.11 0.00 -0.28 0.00 0.00 59.70 59.32 2gqb h MET 74 Cb 1.06 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.90 2gqb h MET 74 CO 0.07 -0.07 -0.20 1.57 0.23 0.00 0.00 176.91 178.51 2gqb h LYS 75 N -0.35 0.76 -0.27 0.39 2.10 -1.36 -2.46 116.57 115.38 2gqb h LYS 75 Ca -0.03 -0.29 0.06 0.00 -2.00 0.00 0.00 60.65 58.40 2gqb h LYS 75 Cb 0.27 -0.04 -0.07 0.00 -0.90 0.00 0.00 32.23 31.49 2gqb h LYS 75 CO 0.04 0.90 -0.19 0.00 -2.00 0.00 0.00 179.45 178.20 2gqb h ALA 76 N 1.11 -0.02 0.57 0.07 0.00 -1.25 -3.11 119.26 116.63 2gqb h ALA 76 Ca 0.10 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2gqb h ALA 76 Cb 0.70 0.43 0.01 0.00 0.00 0.00 0.00 17.79 18.92 2gqb h ALA 76 CO 0.05 -0.60 -0.27 -0.07 0.00 0.00 0.00 179.25 178.36 2gqb h LEU 77 N -0.18 -0.65 0.00 0.00 -0.00 -1.57 -3.46 115.31 109.45 2gqb h LEU 77 Ca 0.15 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.05 2gqb h LEU 77 Cb 0.40 0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 2gqb h LEU 77 CO -0.38 -0.41 0.00 -0.67 -0.00 0.00 0.00 178.44 176.98 2gqb n ASP 78 N -4.35 0.00 -4.83 -0.43 2.03 -1.18 -5.15 116.55 102.65 2gqb n ASP 78 Ca -0.10 -0.58 -0.38 0.00 0.52 0.00 0.00 54.79 54.26 2gqb n ASP 78 Cb 0.30 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.64 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 5.05 -0.59 5.18 -1.09 -0.93 -4.95 121.20 123.87 2gqb s ILE 79 Ca 0.00 0.83 0.25 0.00 -2.23 0.00 0.00 60.65 59.50 2gqb s ILE 79 Cb 0.00 -3.71 0.28 0.00 -1.58 0.00 0.00 42.46 37.45 2gqb s ILE 79 CO 0.00 0.57 1.75 0.44 -1.23 0.00 0.00 174.94 176.47 2gqb h ASP 80 N 4.81 0.00 -2.64 3.58 5.19 -1.89 -3.35 116.42 122.13 2gqb h ASP 80 Ca -0.51 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 55.64 2gqb h ASP 80 Cb 1.22 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.67 2gqb h ASP 80 CO 0.62 0.00 -0.28 -1.54 -3.12 0.00 0.00 179.24 174.92 2gqb n SER 81 N -2.31 -3.69 -2.07 6.45 3.41 -1.26 -4.96 113.62 109.20 2gqb n SER 81 Ca 0.04 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 2gqb n SER 81 Cb 0.35 -3.28 0.00 0.00 -0.26 0.00 0.00 64.21 61.02 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 -1.16 0.00 -0.09 4.04 2.88 -1.26 -4.75 113.62 113.29 2gqb n SER 82 Ca -0.14 -0.62 -0.10 0.00 -1.33 0.00 0.00 58.87 56.69 2gqb n SER 82 Cb 0.52 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.96 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 0.37 -1.08 2.46 7.12 -1.99 -2.30 115.31 119.89 2gqb h LEU 83 Ca 0.00 -0.11 0.12 0.00 0.13 0.00 0.00 57.88 58.02 2gqb h LEU 83 Cb 0.00 -0.09 -0.08 0.00 -0.53 0.00 0.00 40.66 39.96 2gqb h LEU 83 CO 0.00 0.37 0.62 0.28 -0.13 0.00 0.00 178.44 179.58 2gqb h SER 84 N 0.34 0.88 0.47 1.25 0.02 -1.99 -0.46 113.55 114.06 2gqb h SER 84 Ca 0.10 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 2gqb h SER 84 Cb 0.09 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2gqb h SER 84 CO -0.01 0.48 -0.23 0.00 -1.14 0.00 0.00 176.83 175.93 2gqb h ALA 85 N 1.54 -0.63 0.00 3.77 0.00 -1.82 -2.51 119.26 119.60 2gqb h ALA 85 Ca 0.47 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2gqb h ALA 85 Cb 0.48 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2gqb h ALA 85 CO -0.23 -0.62 -0.09 0.07 0.00 0.00 0.00 179.25 178.38 2gqb h ARG 86 N -1.10 0.00 -0.06 0.00 0.11 -1.28 -1.39 114.38 110.65 2gqb h ARG 86 Ca -0.06 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.97 2gqb h ARG 86 Cb 0.55 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.63 2gqb h ARG 86 CO 0.11 0.09 -0.13 -0.22 0.10 0.00 0.00 179.97 179.91 2gqb h LYS 87 N 0.00 0.20 0.02 0.08 1.63 -1.10 -3.13 116.57 114.27 2gqb h LYS 87 Ca -0.00 -0.13 -0.07 0.00 -0.85 0.00 0.00 60.65 59.60 2gqb h LYS 87 Cb 0.17 0.02 0.01 0.00 -0.60 0.00 0.00 32.23 31.82 2gqb h LYS 87 CO 0.01 0.71 -0.28 1.05 -3.45 0.00 0.00 179.45 177.50 2gqb h GLU 88 N -0.29 0.16 -0.90 1.90 4.11 -1.09 -2.92 114.58 115.54 2gqb h GLU 88 Ca 0.00 -0.19 0.12 0.00 0.07 0.00 0.00 59.36 59.36 2gqb h GLU 88 Cb 0.71 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.95 2gqb h GLU 88 CO 0.03 0.97 0.58 1.25 0.07 0.00 0.00 179.01 181.91 2gqb h LEU 89 N -0.57 0.76 -0.13 3.06 5.85 -1.40 -0.22 115.31 122.65 2gqb h LEU 89 Ca -0.04 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 2gqb h LEU 89 Cb 1.08 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 2gqb h LEU 89 CO 0.05 0.42 -0.16 0.00 -0.34 0.00 0.00 178.44 178.41 2gqb h ALA 90 N 1.57 0.19 0.00 1.25 0.00 -1.62 -3.11 119.26 117.54 2gqb h ALA 90 Ca 0.43 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 2gqb h ALA 90 Cb 0.53 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2gqb h ALA 90 CO -0.20 0.09 -0.61 1.57 0.00 0.00 0.00 179.25 180.11 2gqb h LYS 91 N -0.06 0.00 -0.06 0.00 2.10 -1.05 0.17 116.57 117.68 2gqb h LYS 91 Ca 0.02 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.46 2gqb h LYS 91 Cb 0.71 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.04 2gqb h LYS 91 CO 0.04 0.61 -0.81 0.93 -2.00 0.00 0.00 179.45 178.22 2gqb h GLU 92 N 0.00 0.45 -0.08 0.07 4.39 -1.17 -3.00 114.58 115.23 2gqb h GLU 92 Ca -0.01 -0.41 -0.13 0.00 0.34 0.00 0.00 59.36 59.16 2gqb h GLU 92 Cb 1.11 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 2gqb h GLU 92 CO 0.08 1.05 -0.54 -0.07 -1.16 0.00 0.00 179.01 178.37 2gqb h LEU 93 N 0.29 0.25 0.00 1.33 3.38 -1.45 -3.47 115.31 115.64 2gqb h LEU 93 Ca -0.05 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2gqb h LEU 93 Cb 1.42 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2gqb h LEU 93 CO 0.14 0.74 0.00 0.61 0.09 0.00 0.00 178.44 180.03 2gqb n GLY 94 N 0.11 2.16 1.60 0.83 0.00 -0.81 -5.04 105.19 104.04 2gqb n GLY 94 Ca -0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.98 -3.56 1.61 9.36 0.54 -4.83 117.16 118.30 2gqb n TYR 95 Ca 0.00 1.18 -0.29 0.00 3.32 0.00 0.00 57.90 62.11 2gqb n TYR 95 Cb 0.00 -2.74 -0.12 0.00 -0.63 0.00 0.00 39.34 35.85 2gqb n TYR 95 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2gqb s SER 96 N -0.25 3.23 -0.29 2.98 0.15 -1.26 -5.04 113.70 113.22 2gqb s SER 96 Ca -0.01 -2.37 -0.08 0.00 0.70 0.00 0.00 55.95 54.19 2gqb s SER 96 Cb 0.00 -0.65 0.14 0.00 -1.71 0.00 0.00 66.02 63.80 2gqb s SER 96 CO 0.03 -0.29 0.61 -0.83 1.20 0.00 0.00 173.24 173.97 2gqb s GLY 97 N 0.77 -0.74 0.03 9.45 0.00 -1.26 -4.96 107.32 110.61 2gqb s GLY 97 Ca 0.18 2.14 0.00 0.00 0.00 0.00 0.00 44.72 47.04 2gqb s GLY 97 CO 0.00 3.06 0.00 1.34 0.00 0.00 0.00 173.10 177.50 2gqb n ASP 98 N 5.44 -0.13 -1.11 1.64 2.03 -1.26 -4.94 116.55 118.21 2gqb n ASP 98 Ca -0.09 0.05 0.12 0.00 0.52 0.00 0.00 54.79 55.39 2gqb n ASP 98 Cb 0.49 0.31 0.20 0.00 -0.72 0.00 0.00 41.12 41.41 2gqb n ASP 98 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 2gqb n MET 99 N -2.57 2.47 0.00 -0.67 0.00 -1.26 -4.14 117.12 110.94 2gqb n MET 99 Ca 0.00 -2.20 0.12 0.00 0.00 0.00 0.00 57.70 55.62 2gqb n MET 99 Cb 0.00 -1.51 0.23 0.00 0.00 0.00 0.00 33.22 31.94 2gqb n MET 99 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 2gqb n ASN 100 N 1.45 1.45 0.00 3.17 6.94 -1.26 -5.04 115.26 121.97 2gqb n ASN 100 Ca 0.18 -1.16 0.00 0.00 -0.02 0.00 0.00 54.58 53.58 2gqb n ASN 100 Cb 0.60 0.27 0.00 0.00 -2.36 0.00 0.00 39.78 38.29 2gqb n ASN 100 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2gqb n ASP 101 N -0.37 -0.02 0.12 0.53 -0.08 -1.26 -1.86 116.55 113.61 2gqb n ASP 101 Ca 0.11 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.51 2gqb n ASP 101 Cb 0.40 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.88 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 6.38 0.00 0.83 1.67 0.02 -1.97 -3.30 113.55 117.18 2gqb h SER 102 Ca 0.00 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2gqb h SER 102 Cb 0.00 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.55 2gqb h SER 102 CO 0.00 0.00 -0.40 0.00 -1.14 0.00 0.00 176.83 175.29 2gqb h ALA 103 N 2.00 -1.26 0.00 3.77 0.00 -1.99 -2.71 119.26 119.08 2gqb h ALA 103 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2gqb h ALA 103 Cb 1.00 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2gqb h ALA 103 CO 0.00 -1.18 0.00 0.43 0.00 0.00 0.00 179.25 178.50 2gqb n SER 104 N -5.08 0.11 -0.11 0.00 7.64 -0.78 -3.15 113.62 112.25 2gqb n SER 104 Ca -0.14 0.51 -0.10 0.00 1.01 0.00 0.00 58.87 60.15 2gqb n SER 104 Cb 0.44 -0.54 0.03 0.00 -1.01 0.00 0.00 64.21 63.13 2gqb n SER 104 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 2gqb h MET 105 N 0.00 0.87 0.00 1.43 -1.53 -1.57 -1.47 114.93 112.66 2gqb h MET 105 Ca 0.00 -0.40 -0.04 0.00 -3.44 0.00 0.00 59.70 55.82 2gqb h MET 105 Cb 0.46 -0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.49 2gqb h MET 105 CO 0.00 1.04 -0.20 -0.97 0.14 0.00 0.00 176.91 176.92 2gqb h ASN 106 N 0.74 0.00 0.14 1.39 -1.24 -1.44 -2.44 115.58 112.73 2gqb h ASN 106 Ca 0.08 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.09 2gqb h ASN 106 Cb 0.85 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.90 2gqb h ASN 106 CO 0.07 0.20 -0.07 0.40 -1.29 0.00 0.00 177.43 176.75 2gqb h ILE 107 N 0.00 0.07 -0.62 2.57 2.04 -1.55 -2.88 117.51 117.15 2gqb h ILE 107 Ca -0.00 -0.90 0.01 0.00 1.00 0.00 0.00 64.86 64.96 2gqb h ILE 107 Cb 0.39 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 2gqb h ILE 107 CO 0.03 0.02 0.40 -0.25 0.00 0.00 0.00 178.15 178.35 2gqb h TRP 108 N -1.05 0.77 0.00 1.37 7.01 -1.33 -1.97 115.95 120.75 2gqb h TRP 108 Ca -0.02 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 60.93 2gqb h TRP 108 Cb 0.18 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 26.98 2gqb h TRP 108 CO 0.01 0.47 -0.33 1.25 -2.79 0.00 0.00 178.44 177.05 2gqb h LEU 109 N 0.82 0.00 -1.28 0.65 6.46 -1.59 -1.19 115.31 119.17 2gqb h LEU 109 Ca 0.23 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.93 2gqb h LEU 109 Cb -0.07 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 2gqb h LEU 109 CO -0.06 0.33 -0.29 -0.74 -0.62 0.00 0.00 178.44 177.06 2gqb h HIS 110 N 0.00 0.00 0.13 1.25 2.76 -1.13 -2.23 115.15 115.93 2gqb h HIS 110 Ca -0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 2gqb h HIS 110 Cb 0.76 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.72 2gqb h HIS 110 CO 0.00 0.29 -0.06 0.87 -1.30 0.00 0.00 177.93 177.72 2gqb h LYS 111 N 0.00 -0.17 -0.59 5.26 1.79 -0.84 -3.31 116.57 118.70 2gqb h LYS 111 Ca -0.00 0.01 -0.10 0.00 -2.18 0.00 0.00 60.65 58.38 2gqb h LYS 111 Cb 0.68 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.35 2gqb h LYS 111 CO 0.04 0.26 -0.02 0.37 -1.08 0.00 0.00 179.45 179.02 2gqb h GLN 112 N -0.91 1.06 -0.80 3.15 5.75 -1.34 -2.62 115.11 119.39 2gqb h GLN 112 Ca -0.02 -0.34 0.01 0.00 -0.15 0.00 0.00 58.65 58.14 2gqb h GLN 112 Cb 0.51 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.93 2gqb h GLN 112 CO 0.03 1.04 0.53 0.28 -2.65 0.00 0.00 178.83 178.06 2gqb h VAL 113 N 0.96 1.21 -0.03 2.39 2.07 -1.58 -2.39 116.25 118.88 2gqb h VAL 113 Ca 0.17 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 2gqb h VAL 113 Cb 0.58 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2gqb h VAL 113 CO 0.03 0.20 -0.23 0.24 0.02 0.00 0.00 177.57 177.84 2gqb h MET 114 N 1.09 0.05 0.00 1.57 2.86 -1.56 -0.04 114.93 118.89 2gqb h MET 114 Ca 0.29 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.91 2gqb h MET 114 Cb -0.11 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.54 2gqb h MET 114 CO -0.06 0.28 -0.05 0.77 1.06 0.00 0.00 176.91 178.90 2gqb h SER 115 N 0.04 0.00 -0.08 1.22 0.02 -1.22 -0.09 113.55 113.45 2gqb h SER 115 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2gqb h SER 115 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2gqb h SER 115 CO 0.03 0.05 0.00 0.29 -1.14 0.00 0.00 176.83 176.06 2gqb n LYS 116 N -3.43 1.50 -0.01 3.45 4.01 -0.16 -4.37 118.16 119.13 2gqb n LYS 116 Ca -0.02 -1.59 -0.02 0.00 -0.51 0.00 0.00 58.31 56.17 2gqb n LYS 116 Cb 0.18 -1.33 -0.01 0.00 -0.51 0.00 0.00 35.03 33.36 2gqb n LYS 116 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 2gqb n LEU 117 N 0.96 0.61 0.04 -0.35 7.94 -0.30 -4.71 117.00 121.18 2gqb n LEU 117 Ca 0.11 0.10 0.13 0.00 -1.11 0.00 0.00 56.01 55.23 2gqb n LEU 117 Cb 0.43 -0.40 0.51 0.00 0.53 0.00 0.00 43.42 44.49 2gqb n LEU 117 CO 0.11 -0.49 0.91 1.33 -1.11 0.00 0.00 177.39 178.13 2gqb n VAL 118 N -3.09 0.34 1.91 1.96 0.24 -0.20 -2.75 118.33 116.74 2gqb n VAL 118 Ca -0.03 -0.05 0.10 0.00 -2.04 0.00 0.00 64.34 62.32 2gqb n VAL 118 Cb 0.12 -0.62 0.61 0.00 -1.47 0.00 0.00 33.84 32.47 2gqb n VAL 118 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gqb n ALA 119 N -1.61 2.58 0.19 2.33 0.00 -1.24 -2.11 120.51 120.64 2gqb n ALA 119 Ca 0.06 -0.13 0.06 0.00 0.00 0.00 0.00 53.44 53.43 2gqb n ALA 119 Cb 0.35 -1.33 0.22 0.00 0.00 0.00 0.00 19.45 18.69 2gqb n ALA 119 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2gqb n ASN 120 N -0.83 3.19 0.00 0.00 3.02 -1.11 -4.83 115.26 114.69 2gqb n ASN 120 Ca 0.15 -2.29 0.00 0.00 -0.03 0.00 0.00 54.58 52.41 2gqb n ASN 120 Cb 0.07 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 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 0.79 0.94 3.79 7.41 0.00 -1.15 -5.08 105.19 111.90 2gqb n GLY 121 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.86 2.36 -0.22 -0.02 0.00 -0.90 -3.81 107.32 102.88 2gqb s GLY 122 Ca 0.00 0.56 -0.10 0.00 0.00 0.00 0.00 44.72 45.18 2gqb s GLY 122 CO 0.00 0.88 0.13 1.25 0.00 0.00 0.00 173.10 175.37 2gqb s LYS 123 N -3.61 4.09 -0.00 2.90 2.36 0.31 -4.83 119.74 120.96 2gqb s LYS 123 Ca 0.67 -0.27 0.02 0.00 -2.55 0.00 0.00 55.97 53.84 2gqb s LYS 123 Cb -0.18 -3.45 -0.01 0.00 -1.05 0.00 0.00 37.83 33.15 2gqb s LYS 123 CO 0.29 0.17 -0.07 -0.48 1.55 0.00 0.00 175.35 176.81 2gqb s LEU 124 N 0.72 2.02 0.84 5.43 -0.00 -1.26 -1.57 118.68 124.85 2gqb s LEU 124 Ca 0.07 -0.13 -0.11 0.00 -0.00 0.00 0.00 54.13 53.96 2gqb s LEU 124 Cb -0.12 -0.35 0.10 0.00 -0.00 0.00 0.00 46.19 45.81 2gqb s LEU 124 CO 0.01 0.08 1.10 -2.84 -0.00 0.00 0.00 176.35 174.70 2gqb s PRO 125 N -0.19 1.68 0.00 1.48 0.02 -1.26 -4.88 135.00 131.84 2gqb s PRO 125 Ca 0.02 1.16 0.00 0.00 0.02 0.00 0.00 61.00 62.21 2gqb s PRO 125 Cb -0.03 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.66 2gqb s PRO 125 CO -0.00 -2.05 0.53 -2.30 -0.33 0.00 0.00 177.00 172.85 2gqb n PRO 126 N -3.80 0.46 -0.00 5.54 -0.02 -1.26 -1.71 135.00 134.22 2gqb n PRO 126 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 2gqb n PRO 126 Cb 0.53 -1.27 -0.00 0.00 -0.02 0.00 0.00 33.50 32.74 2gqb n PRO 126 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2gqb n GLU 127 N 0.91 5.72 -3.46 -0.52 1.02 -1.26 -4.90 120.64 118.15 2gqb n GLU 127 Ca 0.00 -0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 2gqb n GLU 127 Cb 0.23 -0.61 -0.06 0.00 -0.02 0.00 0.00 31.44 30.98 2gqb n GLU 127 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2gqb s ILE 128 N -1.22 5.03 0.00 -3.67 -1.09 -0.69 -4.12 121.20 115.44 2gqb s ILE 128 Ca 0.00 0.88 0.00 0.00 -2.23 0.00 0.00 60.65 59.30 2gqb s ILE 128 Cb 0.01 -3.74 0.00 0.00 -1.58 0.00 0.00 42.46 37.15 2gqb s ILE 128 CO 0.03 0.54 0.00 1.17 -1.23 0.00 0.00 174.94 175.45 2gqb n LYS 129 N 2.07 0.00 -0.75 2.79 4.81 -1.26 -4.99 118.16 120.82 2gqb n LYS 129 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 2gqb n LYS 129 Cb 0.52 -0.12 0.00 0.00 0.02 0.00 0.00 35.03 35.45 2gqb n LYS 129 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15