#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 6.86 0.36 6.12 1.04 -1.26 -4.36 113.70 122.45 2gqb s SER 2 Ca 0.00 -2.53 0.06 0.00 0.48 0.00 0.00 55.95 53.96 2gqb s SER 2 Cb 0.00 -2.41 0.67 0.00 0.10 0.00 0.00 66.02 64.38 2gqb s SER 2 CO 0.00 -0.91 1.91 0.40 0.98 0.00 0.00 173.24 175.62 2gqb h ILE 3 N 5.25 1.18 0.00 -1.02 2.04 -1.92 0.56 117.51 123.60 2gqb h ILE 3 Ca 0.25 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 2gqb h ILE 3 Cb 0.94 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.93 2gqb h ILE 3 CO 1.19 0.24 -0.03 2.19 0.00 0.00 0.00 178.15 181.73 2gqb h PHE 4 N 0.47 0.00 0.00 1.37 -5.15 -1.93 -0.43 116.94 111.27 2gqb h PHE 4 Ca 0.11 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.88 2gqb h PHE 4 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.44 2gqb h PHE 4 CO 0.01 0.03 -1.08 0.41 -2.00 0.00 0.00 178.31 175.68 2gqb n GLY 5 N -0.63 -1.38 0.14 6.09 0.00 0.10 -3.65 105.19 105.86 2gqb n GLY 5 Ca -0.02 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 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 0.47 -0.42 1.61 1.57 -0.22 -3.13 116.57 116.45 2gqb h LYS 6 Ca 0.00 -0.79 -0.11 0.00 -1.87 0.00 0.00 60.65 57.88 2gqb h LYS 6 Cb 0.94 0.30 -0.02 0.00 0.08 0.00 0.00 32.23 33.53 2gqb h LYS 6 CO 0.00 1.38 -0.17 -0.84 -0.57 0.00 0.00 179.45 179.24 2gqb h ILE 7 N 0.13 1.27 -0.00 1.86 3.07 -1.29 -2.48 117.51 120.06 2gqb h ILE 7 Ca -0.24 -1.27 0.00 0.00 1.55 0.00 0.00 64.86 64.90 2gqb h ILE 7 Cb 2.12 1.13 0.00 0.00 -0.27 0.00 0.00 36.82 39.81 2gqb h ILE 7 CO 0.25 0.43 -0.00 1.15 -1.05 0.00 0.00 178.15 178.93 2gqb n MET 8 N -4.13 0.36 -0.15 0.16 0.00 -1.24 -3.35 117.12 108.76 2gqb n MET 8 Ca 0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 57.70 57.67 2gqb n MET 8 Cb 0.41 -1.50 0.17 0.00 0.00 0.00 0.00 33.22 32.29 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 0.01 0.82 0.71 3.17 0.87 -1.38 0.22 113.55 117.97 2gqb h SER 9 Ca 0.00 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 2gqb h SER 9 Cb 0.32 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2gqb h SER 9 CO 0.00 0.80 -1.20 0.00 -0.53 0.00 0.00 176.83 175.91 2gqb n ALA 10 N -2.46 2.71 -0.03 6.23 0.00 -1.21 -2.66 120.51 123.08 2gqb n ALA 10 Ca 0.04 -0.31 -0.10 0.00 0.00 0.00 0.00 53.44 53.06 2gqb n ALA 10 Cb 0.23 -1.02 -0.09 0.00 0.00 0.00 0.00 19.45 18.57 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 0.00 1.20 -0.46 0.00 2.04 -1.49 -3.30 117.51 115.49 2gqb h ILE 11 Ca 0.00 -1.72 0.00 0.00 1.00 0.00 0.00 64.86 64.14 2gqb h ILE 11 Cb 0.95 2.19 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 2gqb h ILE 11 CO 0.00 0.38 0.00 0.49 0.00 0.00 0.00 178.15 179.02 2gqb n PHE 12 N -4.73 0.84 -1.36 1.37 3.01 0.73 -3.93 117.46 113.38 2gqb n PHE 12 Ca -0.07 -0.36 0.07 0.00 1.01 0.00 0.00 57.45 58.10 2gqb n PHE 12 Cb 0.32 -0.10 0.18 0.00 -0.01 0.00 0.00 39.48 39.87 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 1.04 5.02 2.83 1.37 0.00 -1.09 -4.97 105.19 109.38 2gqb n GLY 13 Ca 0.17 -1.23 -0.16 0.00 0.00 0.00 0.00 46.02 44.79 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 -3.05 0.35 0.00 1.61 -1.08 -1.25 -4.87 116.67 108.38 2gqb s ASP 14 Ca 0.36 -0.02 0.06 0.00 -0.52 0.00 0.00 52.55 52.43 2gqb s ASP 14 Cb 0.33 -0.18 0.10 0.00 -1.46 0.00 0.00 42.92 41.72 2gqb s ASP 14 CO -0.02 -0.08 0.95 -0.24 0.52 0.00 0.00 175.17 176.30 2gqb n SER 15 N 3.98 -0.28 0.00 -0.34 2.88 -1.26 -4.84 113.62 113.76 2gqb n SER 15 Ca -0.25 -1.83 0.00 0.00 -1.33 0.00 0.00 58.87 55.46 2gqb n SER 15 Cb 0.51 0.07 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 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 0.12 1.34 -0.09 -1.46 0.00 -1.26 -4.90 120.51 114.25 2gqb n ALA 16 Ca -0.13 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.18 2gqb n ALA 16 Cb 0.77 0.06 -0.08 0.00 0.00 0.00 0.00 19.45 20.21 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 -0.95 1.66 -2.71 0.00 0.00 -1.26 -4.96 120.51 112.29 2gqb n ALA 17 Ca 0.00 -0.72 -0.39 0.00 0.00 0.00 0.00 53.44 52.33 2gqb n ALA 17 Cb 0.10 0.13 -0.05 0.00 0.00 0.00 0.00 19.45 19.63 2gqb n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gqb s ALA 18 N -2.34 3.40 -0.30 0.00 0.00 -1.26 -5.03 121.76 116.24 2gqb s ALA 18 Ca -0.23 0.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.72 2gqb s ALA 18 Cb 0.06 -2.90 0.12 0.00 0.00 0.00 0.00 23.12 20.40 2gqb s ALA 18 CO 0.38 -0.17 0.22 -1.12 0.00 0.00 0.00 175.76 175.07 2gqb s SER 19 N 0.83 2.55 -0.08 0.00 0.01 -1.26 -4.65 113.70 111.10 2gqb s SER 19 Ca 0.34 -1.12 -0.39 0.00 1.31 0.00 0.00 55.95 56.10 2gqb s SER 19 Cb -0.17 0.08 -0.17 0.00 0.21 0.00 0.00 66.02 65.98 2gqb s SER 19 CO 0.15 -0.40 1.49 -2.65 0.41 0.00 0.00 173.24 172.24 2gqb n PRO 20 N 5.16 1.06 0.00 12.44 -0.02 -1.26 -1.44 135.00 150.94 2gqb n PRO 20 Ca -0.02 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2gqb n PRO 20 Cb 0.44 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 2gqb n PRO 20 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gqb n GLY 21 N 3.18 2.18 0.34 -1.23 0.00 -1.26 -4.62 105.19 103.77 2gqb n GLY 21 Ca 0.22 -0.36 0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.25 3.22 -0.02 0.00 -1.11 -4.59 105.19 102.44 2gqb n GLY 22 Ca 0.00 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.15 4.31 -3.68 4.61 0.00 -0.52 -4.85 120.51 120.25 2gqb n ALA 23 Ca 0.18 -3.83 -0.21 0.00 0.00 0.00 0.00 53.44 49.59 2gqb n ALA 23 Cb 0.26 -3.58 -0.18 0.00 0.00 0.00 0.00 19.45 15.95 2gqb n ALA 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2gqb s GLN 24 N 3.89 -0.01 0.02 0.00 0.74 -1.26 -5.05 119.66 117.99 2gqb s GLN 24 Ca 0.52 0.33 -0.16 0.00 0.05 0.00 0.00 55.36 56.09 2gqb s GLN 24 Cb 0.08 -0.63 -0.06 0.00 1.10 0.00 0.00 33.01 33.50 2gqb s GLN 24 CO 0.01 -0.35 0.46 0.00 -0.55 0.00 0.00 175.29 174.87 2gqb s ALA 25 N 2.15 3.65 -0.00 1.58 0.00 -1.26 -5.04 121.76 122.84 2gqb s ALA 25 Ca 0.05 -0.13 -0.30 0.00 0.00 0.00 0.00 51.96 51.58 2gqb s ALA 25 Cb -0.12 -2.48 -0.07 0.00 0.00 0.00 0.00 23.12 20.45 2gqb s ALA 25 CO -0.04 0.44 1.72 -2.14 0.00 0.00 0.00 175.76 175.75 2gqb s PRO 26 N -1.03 4.18 -0.54 0.00 0.02 -1.26 -4.95 135.00 131.43 2gqb s PRO 26 Ca 0.26 2.32 -0.24 0.00 0.02 0.00 0.00 61.00 63.36 2gqb s PRO 26 Cb -0.18 -3.93 0.04 0.00 0.02 0.00 0.00 34.50 30.46 2gqb s PRO 26 CO 0.15 -0.84 0.93 0.00 -0.33 0.00 0.00 177.00 176.91 2gqb s ALA 27 N 3.77 3.18 0.11 -1.55 0.00 -1.26 -4.75 121.76 121.26 2gqb s ALA 27 Ca 0.77 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.54 2gqb s ALA 27 Cb -0.37 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.04 2gqb s ALA 27 CO 0.33 -2.32 0.00 2.41 0.00 0.00 0.00 175.76 176.18 2gqb n THR 28 N 6.21 -8.90 -1.20 0.00 -1.04 -1.26 -5.01 114.28 103.08 2gqb n THR 28 Ca 0.02 2.03 0.00 0.00 -2.04 0.00 0.00 64.05 64.06 2gqb n THR 28 Cb 0.48 -4.21 0.00 0.00 -1.82 0.00 0.00 70.33 64.78 2gqb n THR 28 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2gqb n THR 29 N 1.13 -4.75 -3.62 12.58 -1.04 -1.26 -5.13 114.28 112.19 2gqb n THR 29 Ca 0.00 0.78 -0.05 0.00 -2.04 0.00 0.00 64.05 62.73 2gqb n THR 29 Cb 0.00 -3.49 -0.02 0.00 -1.82 0.00 0.00 70.33 65.00 2gqb n THR 29 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2gqb s GLY 30 N -0.14 -0.36 -1.28 3.41 0.00 -1.26 -5.00 107.32 102.70 2gqb s GLY 30 Ca 0.00 0.67 -0.16 0.00 0.00 0.00 0.00 44.72 45.23 2gqb s GLY 30 CO 0.00 0.20 1.69 0.00 0.00 0.00 0.00 173.10 174.98 2gqb n ALA 31 N -0.35 3.86 -0.94 3.20 0.00 -1.26 -4.84 120.51 120.18 2gqb n ALA 31 Ca -0.07 -3.99 0.00 0.00 0.00 0.00 0.00 53.44 49.38 2gqb n ALA 31 Cb 0.61 -3.41 0.00 0.00 0.00 0.00 0.00 19.45 16.65 2gqb n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gqb n ALA 32 N 7.22 0.00 -2.04 0.00 0.00 -1.26 -1.16 120.51 123.27 2gqb n ALA 32 Ca 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.88 2gqb n ALA 32 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.88 2gqb n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gqb n GLY 33 N 0.00 0.79 3.40 0.00 0.00 -1.26 -5.08 105.19 103.04 2gqb n GLY 33 Ca 0.00 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 4.88 -0.00 2.61 2.01 -0.31 -5.07 115.64 119.76 2gqb s THR 34 Ca 0.03 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.19 2gqb s THR 34 Cb 0.03 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 2gqb s THR 34 CO -0.02 -0.32 0.04 0.00 -0.69 0.00 0.00 174.62 173.63 2gqb s ALA 35 N 1.60 3.42 -0.33 7.40 0.00 -1.26 -4.66 121.76 127.93 2gqb s ALA 35 Ca 0.03 -0.91 -0.27 0.00 0.00 0.00 0.00 51.96 50.81 2gqb s ALA 35 Cb -0.20 -1.45 -0.05 0.00 0.00 0.00 0.00 23.12 21.42 2gqb s ALA 35 CO 0.08 0.67 2.23 -2.14 0.00 0.00 0.00 175.76 176.60 2gqb s PRO 36 N -1.63 2.79 -0.99 0.00 0.02 -1.26 -4.90 135.00 129.03 2gqb s PRO 36 Ca 0.21 1.73 -0.23 0.00 0.02 0.00 0.00 61.00 62.72 2gqb s PRO 36 Cb -0.12 -4.43 0.05 0.00 0.02 0.00 0.00 34.50 30.02 2gqb s PRO 36 CO 0.12 -2.49 1.44 0.95 -0.33 0.00 0.00 177.00 176.68 2gqb s THR 37 N 9.48 3.90 -0.17 0.99 -4.23 -1.26 -4.73 115.64 119.62 2gqb s THR 37 Ca 0.97 -0.64 -0.13 0.00 -1.18 0.00 0.00 61.69 60.71 2gqb s THR 37 Cb -0.26 -5.04 -0.07 0.00 1.34 0.00 0.00 72.50 68.47 2gqb s THR 37 CO 0.32 -1.93 -0.28 0.00 -0.54 0.00 0.00 174.62 172.18 2gqb n ALA 38 N 8.97 1.41 -2.28 3.99 0.00 -1.26 -4.92 120.51 126.42 2gqb n ALA 38 Ca 0.30 -0.77 -0.43 0.00 0.00 0.00 0.00 53.44 52.54 2gqb n ALA 38 Cb 0.51 0.14 -0.02 0.00 0.00 0.00 0.00 19.45 20.07 2gqb n ALA 38 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2gqb s PRO 39 N -2.58 3.65 -0.41 0.00 0.04 -1.26 -4.98 135.00 129.46 2gqb s PRO 39 Ca -0.27 1.18 -0.04 0.00 0.04 0.00 0.00 61.00 61.92 2gqb s PRO 39 Cb 0.07 -4.02 0.11 0.00 0.04 0.00 0.00 34.50 30.70 2gqb s PRO 39 CO 0.37 -1.47 0.21 -1.14 0.04 0.00 0.00 177.00 175.01 2gqb s GLN 40 N 4.83 2.10 0.15 4.56 2.00 -1.26 -5.08 119.66 126.95 2gqb s GLN 40 Ca 0.64 -1.77 -0.30 0.00 -2.00 0.00 0.00 55.36 51.93 2gqb s GLN 40 Cb -0.17 -3.61 -0.08 0.00 0.80 0.00 0.00 33.01 29.95 2gqb s GLN 40 CO 0.30 -1.06 1.25 -1.25 -0.50 0.00 0.00 175.29 174.03 2gqb s PRO 41 N 1.18 4.43 -0.60 1.67 0.04 -1.26 -4.99 135.00 135.47 2gqb s PRO 41 Ca 0.07 1.92 -0.21 0.00 0.04 0.00 0.00 61.00 62.82 2gqb s PRO 41 Cb -0.23 -3.26 0.08 0.00 0.04 0.00 0.00 34.50 31.13 2gqb s PRO 41 CO -0.03 -0.21 0.83 0.99 0.04 0.00 0.00 177.00 178.61 2gqb s THR 42 N 0.42 4.57 0.00 1.26 2.01 -1.26 -4.95 115.64 117.69 2gqb s THR 42 Ca 0.57 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 62.04 2gqb s THR 42 Cb -0.33 -4.55 0.00 0.00 0.01 0.00 0.00 72.50 67.62 2gqb s THR 42 CO 0.34 -1.22 0.00 0.00 -0.69 0.00 0.00 174.62 173.05 2gqb n ALA 43 N 7.01 0.00 -3.49 7.40 0.00 -1.26 -4.68 120.51 125.49 2gqb n ALA 43 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.11 2gqb n ALA 43 Cb 0.45 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.79 2gqb n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gqb s ALA 44 N -1.79 1.70 -1.30 0.00 0.00 -1.26 -4.96 121.76 114.14 2gqb s ALA 44 Ca 0.00 -2.56 0.30 0.00 0.00 0.00 0.00 51.96 49.70 2gqb s ALA 44 Cb 0.00 -1.69 1.42 0.00 0.00 0.00 0.00 23.12 22.85 2gqb s ALA 44 CO 0.00 -2.01 2.01 -0.35 0.00 0.00 0.00 175.76 175.40 2gqb n PRO 45 N 2.94 0.31 -3.79 0.00 -0.04 -1.26 -4.75 135.00 128.41 2gqb n PRO 45 Ca 0.25 -0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.57 2gqb n PRO 45 Cb 0.44 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.29 2gqb n PRO 45 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2gqb s SER 46 N -2.70 -0.25 -0.46 3.54 0.15 -1.26 -5.10 113.70 107.62 2gqb s SER 46 Ca 0.24 0.44 -0.18 0.00 0.70 0.00 0.00 55.95 57.15 2gqb s SER 46 Cb 0.20 0.50 0.04 0.00 -1.71 0.00 0.00 66.02 65.05 2gqb s SER 46 CO 0.49 -0.15 0.50 -0.63 1.20 0.00 0.00 173.24 174.65 2gqb s ILE 47 N -0.12 5.03 -0.61 6.45 -1.09 -0.90 -4.94 121.20 125.02 2gqb s ILE 47 Ca -0.02 -0.51 -0.27 0.00 -2.23 0.00 0.00 60.65 57.62 2gqb s ILE 47 Cb -0.03 -4.15 0.03 0.00 -1.58 0.00 0.00 42.46 36.74 2gqb s ILE 47 CO 0.01 -0.59 1.15 -0.62 -1.23 0.00 0.00 174.94 173.66 2gqb s ASP 48 N 2.26 6.35 0.41 3.58 -1.08 -1.26 0.98 116.67 127.91 2gqb s ASP 48 Ca 0.12 -0.17 0.22 0.00 -0.52 0.00 0.00 52.55 52.20 2gqb s ASP 48 Cb -0.19 -2.52 0.64 0.00 -1.46 0.00 0.00 42.92 39.39 2gqb s ASP 48 CO 0.12 -1.51 1.70 0.58 0.52 0.00 0.00 175.17 176.59 2gqb h VAL 49 N 6.09 0.51 0.55 1.11 2.07 -1.83 -3.35 116.25 121.40 2gqb h VAL 49 Ca -0.26 -1.35 -0.02 0.00 0.82 0.00 0.00 66.70 65.90 2gqb h VAL 49 Cb 1.06 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 2gqb h VAL 49 CO 1.19 0.24 -0.46 0.00 0.02 0.00 0.00 177.57 178.56 2gqb h ALA 50 N 1.75 -1.07 0.00 1.67 0.00 -1.90 -1.65 119.26 118.06 2gqb h ALA 50 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2gqb h ALA 50 Cb 0.94 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2gqb h ALA 50 CO 0.03 -1.13 0.00 -0.35 0.00 0.00 0.00 179.25 177.80 2gqb n PRO 51 N -5.55 0.87 -0.11 0.00 -0.04 -1.26 -1.44 135.00 127.47 2gqb n PRO 51 Ca -0.12 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.16 2gqb n PRO 51 Cb 0.45 -1.02 -0.06 0.00 -0.04 0.00 0.00 33.50 32.83 2gqb n PRO 51 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2gqb n ILE 52 N -0.52 1.51 0.12 0.52 5.41 -0.76 -4.27 119.36 121.37 2gqb n ILE 52 Ca 0.01 -0.06 -0.01 0.00 1.00 0.00 0.00 62.75 63.69 2gqb n ILE 52 Cb 0.00 -2.15 0.08 0.00 -0.71 0.00 0.00 39.64 36.86 2gqb n ILE 52 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2gqb h LEU 53 N -1.00 0.00 -1.05 1.39 3.38 -1.30 -1.68 115.31 115.05 2gqb h LEU 53 Ca -0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 2gqb h LEU 53 Cb 1.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 2gqb h LEU 53 CO -0.18 0.66 0.47 -0.78 0.09 0.00 0.00 178.44 178.70 2gqb h ASP 54 N 0.00 1.00 1.21 -0.43 3.58 -1.46 -0.19 116.42 120.14 2gqb h ASP 54 Ca -0.01 -0.07 -0.10 0.00 0.42 0.00 0.00 57.03 57.27 2gqb h ASP 54 Cb 1.33 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 42.11 2gqb h ASP 54 CO 0.09 0.79 -0.82 0.11 -2.88 0.00 0.00 179.24 176.52 2gqb h LYS 55 N 1.14 0.00 -0.30 0.28 1.79 -1.72 -3.20 116.57 114.57 2gqb h LYS 55 Ca 0.29 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.68 2gqb h LYS 55 Cb -0.01 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 2gqb h LYS 55 CO -0.05 0.33 -0.18 0.00 -1.08 0.00 0.00 179.45 178.46 2gqb h ALA 56 N 1.58 1.13 -0.33 3.86 0.00 -0.59 -1.20 119.26 123.71 2gqb h ALA 56 Ca -0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2gqb h ALA 56 Cb 1.37 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2gqb h ALA 56 CO 0.05 0.54 0.17 0.28 0.00 0.00 0.00 179.25 180.29 2gqb h VAL 57 N 0.48 1.14 0.00 0.00 2.07 -1.06 -0.65 116.25 118.25 2gqb h VAL 57 Ca 0.08 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2gqb h VAL 57 Cb 0.60 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2gqb h VAL 57 CO 0.04 0.15 0.00 0.29 0.02 0.00 0.00 177.57 178.07 2gqb n LYS 58 N -4.77 0.12 0.01 1.57 5.02 -1.07 -1.77 118.16 117.27 2gqb n LYS 58 Ca -0.01 0.27 -0.06 0.00 -2.02 0.00 0.00 58.31 56.49 2gqb n LYS 58 Cb 0.09 -1.69 -0.11 0.00 -0.02 0.00 0.00 35.03 33.29 2gqb n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gqb h ALA 59 N 2.49 0.67 -0.12 7.82 0.00 -0.57 -3.32 119.26 126.23 2gqb h ALA 59 Ca 0.00 -1.18 -0.16 0.00 0.00 0.00 0.00 54.91 53.57 2gqb h ALA 59 Cb 0.41 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2gqb h ALA 59 CO 0.00 1.33 -0.61 -0.22 0.00 0.00 0.00 179.25 179.75 2gqb h LYS 60 N 0.00 0.40 0.00 0.00 1.63 -0.30 -3.47 116.57 114.83 2gqb h LYS 60 Ca -0.20 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 2gqb h LYS 60 Cb 1.84 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.51 2gqb h LYS 60 CO 0.08 0.89 0.00 0.41 -3.45 0.00 0.00 179.45 177.38 2gqb n GLY 61 N 0.32 2.84 3.91 5.01 0.00 -0.82 -5.05 105.19 111.40 2gqb n GLY 61 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.49 3.39 -0.23 1.61 -1.05 -1.25 -5.00 118.70 115.66 2gqb s GLU 62 Ca 0.00 -0.47 -0.29 0.00 -0.15 0.00 0.00 54.97 54.06 2gqb s GLU 62 Cb 0.00 -3.01 -0.01 0.00 -0.44 0.00 0.00 34.13 30.67 2gqb s GLU 62 CO 0.00 0.60 1.35 0.21 0.95 0.00 0.00 175.26 178.38 2gqb s LYS 63 N -2.51 4.01 0.40 -4.83 2.36 -1.26 -4.66 119.74 113.24 2gqb s LYS 63 Ca 0.34 1.49 0.04 0.00 -2.55 0.00 0.00 55.97 55.29 2gqb s LYS 63 Cb -0.13 -3.87 -0.05 0.00 -1.05 0.00 0.00 37.83 32.74 2gqb s LYS 63 CO 0.27 -1.00 0.06 -0.51 1.55 0.00 0.00 175.35 175.72 2gqb s LEU 64 N 4.20 2.26 -0.42 5.43 1.43 -1.26 -5.11 118.68 125.21 2gqb s LEU 64 Ca 0.59 -1.51 0.04 0.00 -1.03 0.00 0.00 54.13 52.22 2gqb s LEU 64 Cb -0.20 -0.45 0.17 0.00 0.03 0.00 0.00 46.19 45.73 2gqb s LEU 64 CO 0.21 -0.72 0.44 -1.83 0.23 0.00 0.00 176.35 174.69 2gqb s GLU 65 N -3.81 0.83 0.57 1.70 -1.05 -1.26 -5.01 118.70 110.67 2gqb s GLU 65 Ca 0.27 -1.33 0.26 0.00 -0.15 0.00 0.00 54.97 54.01 2gqb s GLU 65 Cb 0.06 -0.80 1.65 0.00 -0.44 0.00 0.00 34.13 34.59 2gqb s GLU 65 CO 0.13 -1.29 2.21 0.11 0.95 0.00 0.00 175.26 177.37 2gqb h TRP 66 N 6.12 0.00 0.00 4.83 5.08 -1.92 0.27 115.95 130.33 2gqb h TRP 66 Ca 0.13 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.07 2gqb h TRP 66 Cb 1.02 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.18 2gqb h TRP 66 CO 0.25 0.00 -0.11 0.07 -1.28 0.00 0.00 178.44 177.38 2gqb h ARG 67 N 0.00 0.00 0.00 0.12 0.11 -1.95 -3.30 114.38 109.36 2gqb h ARG 67 Ca 0.01 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.89 2gqb h ARG 67 Cb 0.05 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.10 2gqb h ARG 67 CO -0.00 0.11 -1.70 0.25 0.10 0.00 0.00 179.97 178.73 2gqb n THR 68 N -4.23 0.69 -3.38 0.08 -2.24 -0.67 -4.24 114.28 100.28 2gqb n THR 68 Ca -0.03 -0.21 -0.39 0.00 -2.27 0.00 0.00 64.05 61.15 2gqb n THR 68 Cb 0.19 -1.37 -0.09 0.00 -2.10 0.00 0.00 70.33 66.96 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 -5.74 6.26 0.32 3.42 0.01 -0.00 -4.94 113.70 113.03 2gqb s SER 69 Ca -0.17 0.30 0.16 0.00 1.31 0.00 0.00 55.95 57.55 2gqb s SER 69 Cb 0.06 -2.21 0.46 0.00 0.21 0.00 0.00 66.02 64.54 2gqb s SER 69 CO 0.24 -0.19 1.64 -0.29 0.41 0.00 0.00 173.24 175.05 2gqb h ILE 70 N 5.38 1.06 0.00 1.44 6.09 -1.87 -2.94 117.51 126.67 2gqb h ILE 70 Ca -0.32 -1.88 -0.10 0.00 -1.37 0.00 0.00 64.86 61.19 2gqb h ILE 70 Cb 1.16 2.11 -0.01 0.00 0.47 0.00 0.00 36.82 40.55 2gqb h ILE 70 CO 0.65 0.48 -0.48 1.62 -3.07 0.00 0.00 178.15 177.35 2gqb h VAL 71 N 0.00 1.21 0.07 2.19 3.04 -1.94 -3.01 116.25 117.81 2gqb h VAL 71 Ca -0.00 -1.73 -0.00 0.00 -1.01 0.00 0.00 66.70 63.95 2gqb h VAL 71 Cb 1.07 1.97 0.00 0.00 -2.01 0.00 0.00 31.29 32.32 2gqb h VAL 71 CO 0.06 0.47 -0.03 0.44 -1.01 0.00 0.00 177.57 177.50 2gqb h ASP 72 N 0.00 -0.08 0.51 3.17 5.19 -1.86 -2.51 116.42 120.85 2gqb h ASP 72 Ca -0.00 -0.35 -0.07 0.00 -0.62 0.00 0.00 57.03 55.98 2gqb h ASP 72 Cb 0.93 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.45 2gqb h ASP 72 CO 0.06 0.32 -0.32 0.17 -3.12 0.00 0.00 179.24 176.36 2gqb h LEU 73 N -0.50 0.00 0.13 1.55 8.10 -1.62 -1.34 115.31 121.63 2gqb h LEU 73 Ca -0.01 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.97 2gqb h LEU 73 Cb 0.43 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.65 2gqb h LEU 73 CO 0.02 0.32 -0.06 -0.03 -4.11 0.00 0.00 178.44 174.57 2gqb h MET 74 N 0.00 -0.17 -0.13 0.17 4.05 -1.40 -2.52 114.93 114.94 2gqb h MET 74 Ca -0.00 0.01 -0.14 0.00 -0.28 0.00 0.00 59.70 59.29 2gqb h MET 74 Cb 0.66 0.04 0.01 0.00 -0.80 0.00 0.00 31.60 31.51 2gqb h MET 74 CO 0.04 0.04 -0.47 1.57 0.23 0.00 0.00 176.91 178.32 2gqb h LYS 75 N -0.36 0.54 -0.42 0.39 2.10 -1.32 -1.39 116.57 116.11 2gqb h LYS 75 Ca -0.02 -0.42 0.03 0.00 -2.00 0.00 0.00 60.65 58.24 2gqb h LYS 75 Cb 0.29 0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.68 2gqb h LYS 75 CO 0.03 1.04 0.28 0.00 -2.00 0.00 0.00 179.45 178.80 2gqb h ALA 76 N 0.51 1.82 0.02 0.07 0.00 -1.29 -3.20 119.26 117.19 2gqb h ALA 76 Ca -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2gqb h ALA 76 Cb 1.10 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2gqb h ALA 76 CO 0.10 0.14 -0.01 1.25 0.00 0.00 0.00 179.25 180.73 2gqb h LEU 77 N 0.46 -0.02 0.00 0.00 7.12 -1.49 -3.43 115.31 117.95 2gqb h LEU 77 Ca 0.17 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.18 2gqb h LEU 77 Cb 0.10 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.23 2gqb h LEU 77 CO -0.04 0.41 0.00 -0.67 -0.13 0.00 0.00 178.44 178.01 2gqb n ASP 78 N -4.44 0.00 -4.61 1.25 2.03 -1.17 -5.07 116.55 104.53 2gqb n ASP 78 Ca -0.00 -0.09 -0.30 0.00 0.52 0.00 0.00 54.79 54.91 2gqb n ASP 78 Cb 0.01 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.32 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 3.62 -1.26 5.18 -1.09 -0.53 -4.99 121.20 122.13 2gqb s ILE 79 Ca 0.00 -1.09 0.19 0.00 -2.23 0.00 0.00 60.65 57.52 2gqb s ILE 79 Cb 0.00 -2.68 0.26 0.00 -1.58 0.00 0.00 42.46 38.46 2gqb s ILE 79 CO 0.00 0.16 1.60 0.47 -1.23 0.00 0.00 174.94 175.94 2gqb n ASP 80 N 0.81 0.00 -3.04 3.58 9.92 -1.26 -3.86 116.55 122.69 2gqb n ASP 80 Ca -0.13 0.21 -0.19 0.00 -0.53 0.00 0.00 54.79 54.15 2gqb n ASP 80 Cb 0.52 -0.37 -0.00 0.00 -0.64 0.00 0.00 41.12 40.63 2gqb n ASP 80 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2gqb n SER 81 N -1.37 -3.69 -3.34 -2.24 3.41 -1.26 -4.96 113.62 100.16 2gqb n SER 81 Ca 0.07 -0.17 -0.15 0.00 -0.26 0.00 0.00 58.87 58.36 2gqb n SER 81 Cb 0.18 -3.09 0.09 0.00 -0.26 0.00 0.00 64.21 61.13 2gqb n SER 81 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2gqb n SER 82 N -2.11 0.54 -0.33 4.04 3.41 -1.26 -4.86 113.62 113.04 2gqb n SER 82 Ca -0.05 -1.53 -0.04 0.00 -0.26 0.00 0.00 58.87 56.98 2gqb n SER 82 Cb 0.56 -0.44 0.08 0.00 -0.26 0.00 0.00 64.21 64.15 2gqb n SER 82 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2gqb h LEU 83 N 0.00 1.10 -1.26 1.04 7.12 -2.00 -1.72 115.31 119.59 2gqb h LEU 83 Ca -0.21 -0.10 -0.02 0.00 0.13 0.00 0.00 57.88 57.68 2gqb h LEU 83 Cb 0.70 -0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 40.52 2gqb h LEU 83 CO 0.19 0.88 0.22 0.28 -0.13 0.00 0.00 178.44 179.88 2gqb h SER 84 N 1.23 0.66 0.23 1.25 0.02 -1.98 -0.05 113.55 114.91 2gqb h SER 84 Ca 0.31 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 2gqb h SER 84 Cb 0.02 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.39 2gqb h SER 84 CO -0.05 0.58 -0.11 0.00 -1.14 0.00 0.00 176.83 176.11 2gqb h ALA 85 N 1.52 -0.31 -0.13 3.77 0.00 -1.67 -1.16 119.26 121.26 2gqb h ALA 85 Ca 0.18 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2gqb h ALA 85 Cb 0.12 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2gqb h ALA 85 CO -0.02 -0.62 -0.04 0.00 0.00 0.00 0.00 179.25 178.57 2gqb h ARG 86 N -0.43 0.19 0.55 0.00 -0.00 -1.18 -2.42 114.38 111.09 2gqb h ARG 86 Ca -0.03 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.98 59.39 2gqb h ARG 86 Cb 0.33 -0.03 0.01 0.00 0.00 0.00 0.00 29.97 30.27 2gqb h ARG 86 CO 0.05 0.25 -0.26 -0.22 0.00 0.00 0.00 179.97 179.79 2gqb h LYS 87 N 0.19 -0.71 -0.01 0.04 1.63 -0.55 -2.58 116.57 114.59 2gqb h LYS 87 Ca 0.04 0.05 -0.25 0.00 -0.85 0.00 0.00 60.65 59.65 2gqb h LYS 87 Cb 0.20 0.16 0.01 0.00 -0.60 0.00 0.00 32.23 32.01 2gqb h LYS 87 CO 0.01 -0.40 -0.98 1.05 -3.45 0.00 0.00 179.45 175.68 2gqb h GLU 88 N -0.99 0.59 -0.55 1.90 4.11 -1.22 -2.38 114.58 116.04 2gqb h GLU 88 Ca -0.08 -0.62 -0.01 0.00 0.07 0.00 0.00 59.36 58.73 2gqb h GLU 88 Cb 0.63 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 2gqb h GLU 88 CO 0.12 1.23 0.31 1.25 0.07 0.00 0.00 179.01 181.99 2gqb h LEU 89 N 0.34 0.68 -0.56 3.06 5.85 -1.55 -0.98 115.31 122.14 2gqb h LEU 89 Ca -0.10 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.44 2gqb h LEU 89 Cb 1.62 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.46 2gqb h LEU 89 CO 0.18 0.56 -0.03 0.00 -0.34 0.00 0.00 178.44 178.81 2gqb h ALA 90 N 1.14 0.76 0.00 1.25 0.00 -1.45 -2.75 119.26 118.22 2gqb h ALA 90 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2gqb h ALA 90 Cb 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2gqb h ALA 90 CO -0.03 0.62 0.00 1.57 0.00 0.00 0.00 179.25 181.41 2gqb h LYS 91 N 0.90 0.00 0.00 0.00 2.10 -1.14 0.43 116.57 118.87 2gqb h LYS 91 Ca 0.16 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.70 2gqb h LYS 91 Cb 0.59 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.90 2gqb h LYS 91 CO 0.04 0.00 -0.51 0.93 -2.00 0.00 0.00 179.45 177.90 2gqb h GLU 92 N 0.00 0.00 0.05 0.07 4.39 -0.89 -3.31 114.58 114.90 2gqb h GLU 92 Ca 0.00 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.33 2gqb h GLU 92 Cb 0.61 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.21 2gqb h GLU 92 CO 0.00 0.51 -2.18 1.28 -1.16 0.00 0.00 179.01 177.46 2gqb n LEU 93 N -3.60 2.23 0.00 1.33 4.77 -0.67 -5.01 117.00 116.05 2gqb n LEU 93 Ca -0.00 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2gqb n LEU 93 Cb 0.59 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2gqb n LEU 93 CO 0.40 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 177.85 2gqb n GLY 94 N 2.01 0.87 1.78 -0.72 0.00 0.11 -5.10 105.19 104.15 2gqb n GLY 94 Ca -0.35 -0.07 -0.01 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.12 -3.72 1.61 9.36 0.91 -4.74 117.16 118.46 2gqb n TYR 95 Ca 0.00 1.25 -0.24 0.00 3.32 0.00 0.00 57.90 62.22 2gqb n TYR 95 Cb 0.00 -2.73 -0.17 0.00 -0.63 0.00 0.00 39.34 35.81 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 -0.28 2.03 -0.40 2.98 0.01 -1.26 -4.98 113.70 111.79 2gqb s SER 96 Ca -0.06 -0.36 0.11 0.00 1.31 0.00 0.00 55.95 56.95 2gqb s SER 96 Cb 0.00 -0.41 0.41 0.00 0.21 0.00 0.00 66.02 66.23 2gqb s SER 96 CO 0.16 -0.26 0.95 0.61 0.41 0.00 0.00 173.24 175.12 2gqb n GLY 97 N 5.16 3.79 0.00 3.44 0.00 -1.26 -4.90 105.19 111.42 2gqb n GLY 97 Ca -0.07 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.94 2gqb n GLY 97 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2gqb n ASP 98 N -0.14 0.00 0.00 1.61 2.03 -1.26 -4.88 116.55 113.91 2gqb n ASP 98 Ca 0.24 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.64 2gqb n ASP 98 Cb 0.68 0.00 0.54 0.00 -0.72 0.00 0.00 41.12 41.62 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 0.00 0.62 0.24 -0.67 0.00 -1.26 -2.40 117.12 113.65 2gqb n MET 99 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 57.70 57.80 2gqb n MET 99 Cb 0.00 -1.45 0.58 0.00 0.00 0.00 0.00 33.22 32.34 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 -3.52 3.17 -1.07 -1.94 -3.49 115.58 108.73 2gqb h ASN 100 Ca 0.00 0.00 0.31 0.00 0.07 0.00 0.00 56.30 56.68 2gqb h ASN 100 Cb 0.00 0.00 -0.11 0.00 -2.07 0.00 0.00 38.32 36.14 2gqb h ASN 100 CO 0.00 0.20 -0.63 -0.67 0.07 0.00 0.00 177.43 176.40 2gqb n ASP 101 N -3.69 -7.03 0.31 6.14 2.03 -1.01 -2.30 116.55 111.01 2gqb n ASP 101 Ca -0.01 0.72 0.20 0.00 0.52 0.00 0.00 54.79 56.21 2gqb n ASP 101 Cb 0.32 -3.72 1.01 0.00 -0.72 0.00 0.00 41.12 38.02 2gqb n ASP 101 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2gqb h SER 102 N -1.11 0.00 0.05 1.67 0.02 -1.94 -2.08 113.55 110.15 2gqb h SER 102 Ca -0.04 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2gqb h SER 102 Cb 1.09 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.60 2gqb h SER 102 CO 0.03 0.02 -0.19 0.00 -1.14 0.00 0.00 176.83 175.54 2gqb h ALA 103 N 1.98 -0.27 0.00 3.77 0.00 -1.99 -1.10 119.26 121.66 2gqb h ALA 103 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2gqb h ALA 103 Cb 0.17 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2gqb h ALA 103 CO 0.00 -0.70 -0.30 1.03 0.00 0.00 0.00 179.25 179.28 2gqb h SER 104 N -0.33 0.00 -0.17 0.00 0.87 -1.24 -3.30 113.55 109.38 2gqb h SER 104 Ca 0.04 -0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.47 2gqb h SER 104 Cb 0.38 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 2gqb h SER 104 CO -0.15 0.02 -0.24 -0.03 -0.53 0.00 0.00 176.83 175.89 2gqb h MET 105 N 0.00 0.62 -0.38 2.24 -1.53 -0.75 -1.41 114.93 113.72 2gqb h MET 105 Ca 0.00 -0.25 -0.11 0.00 -3.44 0.00 0.00 59.70 55.90 2gqb h MET 105 Cb 0.91 -0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.91 2gqb h MET 105 CO 0.00 0.81 -0.22 -0.97 0.14 0.00 0.00 176.91 176.68 2gqb h ASN 106 N 0.55 0.76 0.62 1.39 -1.24 -1.30 -2.02 115.58 114.34 2gqb h ASN 106 Ca 0.08 -0.27 -0.03 0.00 0.71 0.00 0.00 56.30 56.79 2gqb h ASN 106 Cb 0.71 -0.21 0.01 0.00 0.73 0.00 0.00 38.32 39.56 2gqb h ASN 106 CO 0.05 0.96 -0.30 0.40 -1.29 0.00 0.00 177.43 177.26 2gqb h ILE 107 N 0.66 0.11 -0.87 2.57 2.04 -1.61 -2.34 117.51 118.06 2gqb h ILE 107 Ca 0.09 -0.37 0.09 0.00 1.00 0.00 0.00 64.86 65.67 2gqb h ILE 107 Cb 0.72 0.16 -0.07 0.00 -0.74 0.00 0.00 36.82 36.88 2gqb h ILE 107 CO 0.06 0.02 0.52 -0.25 0.00 0.00 0.00 178.15 178.49 2gqb h TRP 108 N -1.17 0.95 -0.41 1.37 7.01 -1.32 -2.18 115.95 120.20 2gqb h TRP 108 Ca -0.09 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 60.89 2gqb h TRP 108 Cb 0.67 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.41 2gqb h TRP 108 CO 0.00 0.42 0.06 1.25 -2.79 0.00 0.00 178.44 177.38 2gqb h LEU 109 N 0.89 0.66 -1.52 0.65 5.85 -1.41 -0.89 115.31 119.54 2gqb h LEU 109 Ca 0.41 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2gqb h LEU 109 Cb 0.32 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.18 2gqb h LEU 109 CO -0.23 0.76 0.00 -0.74 -0.34 0.00 0.00 178.44 177.89 2gqb h HIS 110 N 0.54 0.00 0.00 1.25 2.76 -0.83 -1.39 115.15 117.48 2gqb h HIS 110 Ca 0.12 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.12 2gqb h HIS 110 Cb 0.38 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.32 2gqb h HIS 110 CO 0.03 0.00 -0.94 0.87 -1.30 0.00 0.00 177.93 176.59 2gqb h LYS 111 N 0.00 0.00 0.00 5.26 1.79 -0.91 -3.33 116.57 119.38 2gqb h LYS 111 Ca 0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2gqb h LYS 111 Cb 0.34 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 2gqb h LYS 111 CO 0.00 1.00 0.00 1.96 -1.08 0.00 0.00 179.45 181.33 2gqb h GLN 112 N -1.00 0.00 0.04 3.15 7.50 -0.94 -2.07 115.11 121.79 2gqb h GLN 112 Ca -0.26 0.00 -0.27 0.00 0.50 0.00 0.00 58.65 58.62 2gqb h GLN 112 Cb 1.23 0.00 0.02 0.00 0.05 0.00 0.00 27.48 28.78 2gqb h GLN 112 CO -0.16 0.00 -1.09 0.28 -1.50 0.00 0.00 178.83 176.36 2gqb h VAL 113 N 0.00 1.32 0.00 -0.54 2.07 -1.46 -3.34 116.25 114.30 2gqb h VAL 113 Ca 0.00 -2.40 -0.08 0.00 0.82 0.00 0.00 66.70 65.04 2gqb h VAL 113 Cb 0.75 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 2gqb h VAL 113 CO 0.00 0.73 -0.36 0.24 0.02 0.00 0.00 177.57 178.20 2gqb h MET 114 N 0.30 0.00 0.00 1.57 2.86 -1.51 -1.28 114.93 116.87 2gqb h MET 114 Ca -0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2gqb h MET 114 Cb 1.75 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.41 2gqb h MET 114 CO 0.20 0.36 0.00 -1.13 1.06 0.00 0.00 176.91 177.41 2gqb n SER 115 N -3.51 0.00 -0.02 1.22 3.41 -0.84 -2.85 113.62 111.03 2gqb n SER 115 Ca -0.00 0.50 -0.03 0.00 -0.26 0.00 0.00 58.87 59.08 2gqb n SER 115 Cb 0.51 -0.50 -0.01 0.00 -0.26 0.00 0.00 64.21 63.95 2gqb n SER 115 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2gqb n LYS 116 N -1.50 0.17 0.00 4.33 4.01 -0.86 -4.55 118.16 119.77 2gqb n LYS 116 Ca 0.03 0.07 0.00 0.00 -0.51 0.00 0.00 58.31 57.89 2gqb n LYS 116 Cb 0.12 -0.72 0.00 0.00 -0.51 0.00 0.00 35.03 33.92 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 -3.27 0.00 0.15 -0.35 7.94 -0.54 -1.37 117.00 119.55 2gqb n LEU 117 Ca -0.05 0.84 0.13 0.00 -1.11 0.00 0.00 56.01 55.82 2gqb n LEU 117 Cb 0.17 -0.34 0.46 0.00 0.53 0.00 0.00 43.42 44.24 2gqb n LEU 117 CO 0.07 -0.34 0.88 -0.37 -1.11 0.00 0.00 177.39 176.52 2gqb h VAL 118 N 0.00 0.00 0.00 1.96 -1.51 -1.79 -2.41 116.25 112.50 2gqb h VAL 118 Ca 0.00 -0.40 -0.00 0.00 -1.23 0.00 0.00 66.70 65.06 2gqb h VAL 118 Cb 0.00 1.28 -0.00 0.00 -2.13 0.00 0.00 31.29 30.43 2gqb h VAL 118 CO 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 177.57 176.32 2gqb h ALA 119 N 2.30 1.00 0.00 5.19 0.00 -1.26 -1.17 119.26 125.32 2gqb h ALA 119 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2gqb h ALA 119 Cb 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2gqb h ALA 119 CO 0.00 0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.37 2gqb n ASN 120 N -3.12 0.22 0.00 0.00 5.03 -0.65 -4.77 115.26 111.98 2gqb n ASN 120 Ca 0.01 0.56 0.00 0.00 0.87 0.00 0.00 54.58 56.02 2gqb n ASN 120 Cb 0.35 -0.60 0.00 0.00 -1.02 0.00 0.00 39.78 38.51 2gqb n ASN 120 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2gqb n GLY 121 N -0.12 1.62 3.73 7.41 0.00 -0.88 -5.03 105.19 111.91 2gqb n GLY 121 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.62 2.65 -0.06 -0.02 0.00 -0.50 -2.12 107.32 105.66 2gqb s GLY 122 Ca 0.00 0.14 -0.26 0.00 0.00 0.00 0.00 44.72 44.60 2gqb s GLY 122 CO 0.00 1.09 0.81 1.25 0.00 0.00 0.00 173.10 176.25 2gqb s LYS 123 N 0.46 4.45 0.03 2.90 2.36 0.28 -4.74 119.74 125.49 2gqb s LYS 123 Ca 0.36 1.07 0.03 0.00 -2.55 0.00 0.00 55.97 54.89 2gqb s LYS 123 Cb -0.18 -3.47 -0.02 0.00 -1.05 0.00 0.00 37.83 33.11 2gqb s LYS 123 CO 0.19 -0.04 -0.09 -0.48 1.55 0.00 0.00 175.35 176.48 2gqb s LEU 124 N 1.09 2.19 0.87 5.43 -0.00 -1.26 -2.44 118.68 124.55 2gqb s LEU 124 Ca 0.42 -0.44 -0.13 0.00 -0.00 0.00 0.00 54.13 53.98 2gqb s LEU 124 Cb -0.19 -0.30 0.12 0.00 -0.00 0.00 0.00 46.19 45.83 2gqb s LEU 124 CO 0.20 -0.09 1.22 -2.16 -0.00 0.00 0.00 176.35 175.52 2gqb s PRO 125 N -1.19 1.49 0.00 1.48 0.04 -1.26 -4.92 135.00 130.64 2gqb s PRO 125 Ca -0.05 -0.03 0.02 0.00 0.04 0.00 0.00 61.00 60.98 2gqb s PRO 125 Cb -0.08 -1.91 0.09 0.00 0.04 0.00 0.00 34.50 32.65 2gqb s PRO 125 CO 0.01 -1.90 0.63 -0.35 0.04 0.00 0.00 177.00 175.42 2gqb n PRO 126 N -3.50 0.05 -0.14 0.56 -0.04 -1.26 -1.86 135.00 128.81 2gqb n PRO 126 Ca 0.10 0.04 -0.03 0.00 -0.04 0.00 0.00 63.50 63.57 2gqb n PRO 126 Cb 0.60 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.74 2gqb n PRO 126 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2gqb h GLU 127 N 0.00 0.86 -4.19 0.54 4.39 -1.92 -3.35 114.58 110.91 2gqb h GLU 127 Ca 0.00 -0.18 -0.76 0.00 0.34 0.00 0.00 59.36 58.76 2gqb h GLU 127 Cb 0.00 -0.13 -0.23 0.00 -0.10 0.00 0.00 28.75 28.29 2gqb h GLU 127 CO 0.00 0.78 0.13 0.42 -1.16 0.00 0.00 179.01 179.18 2gqb s ILE 128 N -5.21 5.28 -1.10 3.13 1.09 -0.77 -4.67 121.20 118.95 2gqb s ILE 128 Ca -0.10 -1.91 -0.19 0.00 -1.10 0.00 0.00 60.65 57.35 2gqb s ILE 128 Cb 0.15 -4.49 0.10 0.00 -1.06 0.00 0.00 42.46 37.17 2gqb s ILE 128 CO 0.81 -1.08 1.43 -0.75 -0.10 0.00 0.00 174.94 175.25 2gqb s LYS 129 N 1.21 3.79 0.00 2.79 2.47 -1.26 -4.92 119.74 123.82 2gqb s LYS 129 Ca 0.16 -1.81 0.27 0.00 -1.56 0.00 0.00 55.97 53.03 2gqb s LYS 129 Cb -0.16 -5.22 0.93 0.00 -1.46 0.00 0.00 37.83 31.93 2gqb s LYS 129 CO -0.04 -2.01 1.68 -2.39 0.16 0.00 0.00 175.35 172.75