#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 -1.97 0.22 6.12 7.64 -1.26 -4.76 113.62 119.61 2gqb n SER 2 Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.96 2gqb n SER 2 Cb 0.00 -0.99 0.49 0.00 -1.01 0.00 0.00 64.21 62.71 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 0.85 0.00 0.44 2.04 -1.88 -0.67 117.51 118.29 2gqb h ILE 3 Ca 0.00 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 2gqb h ILE 3 Cb 0.00 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 2gqb h ILE 3 CO 0.00 0.26 -0.10 2.19 0.00 0.00 0.00 178.15 180.50 2gqb h PHE 4 N 0.00 0.00 0.00 1.37 -5.15 -1.93 0.35 116.94 111.58 2gqb h PHE 4 Ca -0.00 0.00 -0.23 0.00 -0.20 0.00 0.00 57.97 57.54 2gqb h PHE 4 Cb 0.60 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 36.74 2gqb h PHE 4 CO 0.00 0.10 -1.36 0.78 -2.00 0.00 0.00 178.31 175.83 2gqb h GLY 5 N 0.60 0.00 1.28 6.09 0.00 -1.46 -3.01 103.07 106.56 2gqb h GLY 5 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 2gqb h GLY 5 CO 0.01 0.00 -0.26 0.50 0.00 0.00 0.00 176.54 176.79 2gqb h LYS 6 N 0.00 0.82 0.23 4.80 1.57 -0.29 -2.90 116.57 120.79 2gqb h LYS 6 Ca -0.16 -0.36 -0.33 0.00 -1.87 0.00 0.00 60.65 57.93 2gqb h LYS 6 Cb 1.82 -0.02 0.03 0.00 0.08 0.00 0.00 32.23 34.13 2gqb h LYS 6 CO 0.09 0.99 -1.47 -0.84 -0.57 0.00 0.00 179.45 177.64 2gqb h ILE 7 N 0.70 1.29 0.00 1.86 3.07 -1.11 -3.28 117.51 120.04 2gqb h ILE 7 Ca 0.09 -2.75 0.00 0.00 1.55 0.00 0.00 64.86 63.74 2gqb h ILE 7 Cb 0.80 3.00 0.00 0.00 -0.27 0.00 0.00 36.82 40.35 2gqb h ILE 7 CO 0.07 0.83 0.00 0.00 -1.05 0.00 0.00 178.15 178.00 2gqb h MET 8 N 0.13 0.00 -0.04 0.16 -0.00 -1.54 -2.39 114.93 111.25 2gqb h MET 8 Ca -0.24 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.42 2gqb h MET 8 Cb 2.13 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.72 2gqb h MET 8 CO 0.25 0.00 -0.14 1.03 -0.00 0.00 0.00 176.91 178.05 2gqb h SER 9 N 0.00 0.05 0.15 -0.10 0.87 -1.57 0.19 113.55 113.15 2gqb h SER 9 Ca 0.00 -0.01 -0.36 0.00 -1.23 0.00 0.00 61.79 60.19 2gqb h SER 9 Cb 0.36 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 2gqb h SER 9 CO 0.00 0.20 -2.02 0.00 -0.53 0.00 0.00 176.83 174.48 2gqb n ALA 10 N -2.51 1.02 -0.16 6.23 0.00 -0.92 -2.71 120.51 121.47 2gqb n ALA 10 Ca -0.02 -0.67 -0.08 0.00 0.00 0.00 0.00 53.44 52.67 2gqb n ALA 10 Cb 0.23 -0.64 0.01 0.00 0.00 0.00 0.00 19.45 19.05 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 0.06 1.17 -0.61 0.00 2.04 -1.30 -2.11 117.51 116.76 2gqb h ILE 11 Ca -0.43 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 64.97 2gqb h ILE 11 Cb 2.02 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 2gqb h ILE 11 CO 0.07 0.19 0.00 0.49 0.00 0.00 0.00 178.15 178.90 2gqb n PHE 12 N -4.66 1.56 -1.17 1.37 3.01 0.65 -4.21 117.46 114.01 2gqb n PHE 12 Ca 0.01 -0.60 0.09 0.00 1.01 0.00 0.00 57.45 57.97 2gqb n PHE 12 Cb 0.09 -0.29 0.16 0.00 -0.01 0.00 0.00 39.48 39.43 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 1.01 4.88 3.00 1.37 0.00 -0.80 -5.00 105.19 109.66 2gqb n GLY 13 Ca 0.25 -1.17 -0.14 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.88 0.62 -0.03 1.61 -1.08 -1.19 -4.90 116.67 108.81 2gqb s ASP 14 Ca 0.34 -0.32 0.17 0.00 -0.52 0.00 0.00 52.55 52.21 2gqb s ASP 14 Cb 0.30 0.00 0.29 0.00 -1.46 0.00 0.00 42.92 42.05 2gqb s ASP 14 CO 0.02 -0.10 1.13 -1.54 0.52 0.00 0.00 175.17 175.20 2gqb n SER 15 N 2.18 0.27 0.00 -0.34 3.41 -1.26 -4.83 113.62 113.04 2gqb n SER 15 Ca -0.18 -2.01 0.00 0.00 -0.26 0.00 0.00 58.87 56.42 2gqb n SER 15 Cb 0.56 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 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 0.16 0.47 -0.13 7.33 0.00 -1.26 -4.91 120.51 122.16 2gqb n ALA 16 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.10 2gqb n ALA 16 Cb 0.96 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.31 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 -1.15 1.19 1.00 0.00 0.00 -1.26 -4.51 120.51 115.78 2gqb n ALA 17 Ca 0.00 -1.05 0.12 0.00 0.00 0.00 0.00 53.44 52.51 2gqb n ALA 17 Cb 0.00 0.04 0.25 0.00 0.00 0.00 0.00 19.45 19.74 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 -4.04 2.49 -2.02 0.00 0.00 -1.26 -4.93 120.51 110.75 2gqb n ALA 18 Ca -0.52 -0.68 -0.41 0.00 0.00 0.00 0.00 53.44 51.83 2gqb n ALA 18 Cb 0.89 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 19.37 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 -1.84 6.92 -0.46 0.00 0.01 -1.26 -4.28 113.70 112.78 2gqb s SER 19 Ca 0.33 2.38 -0.27 0.00 1.31 0.00 0.00 55.95 59.70 2gqb s SER 19 Cb 0.21 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 2gqb s SER 19 CO 0.31 -0.51 1.94 -2.16 0.41 0.00 0.00 173.24 173.22 2gqb s PRO 20 N -0.10 2.86 0.07 12.44 0.04 -1.26 -4.97 135.00 144.09 2gqb s PRO 20 Ca 0.56 1.14 0.05 0.00 0.04 0.00 0.00 61.00 62.79 2gqb s PRO 20 Cb -0.36 -4.34 -0.03 0.00 0.04 0.00 0.00 34.50 29.81 2gqb s PRO 20 CO 0.38 -2.43 -0.13 0.20 0.04 0.00 0.00 177.00 175.06 2gqb s GLY 21 N 7.91 0.82 -1.18 0.56 0.00 -1.26 -5.06 107.32 109.10 2gqb s GLY 21 Ca 0.79 -1.00 -0.18 0.00 0.00 0.00 0.00 44.72 44.32 2gqb s GLY 21 CO 0.27 -1.03 2.00 0.61 0.00 0.00 0.00 173.10 174.95 2gqb n GLY 22 N 1.19 3.03 3.12 0.20 0.00 -1.26 -4.86 105.19 106.61 2gqb n GLY 22 Ca -0.21 -1.34 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 2gqb n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gqb s ALA 23 N 5.05 2.94 0.11 4.61 0.00 -1.26 -5.09 121.76 128.12 2gqb s ALA 23 Ca 0.55 -2.20 0.08 0.00 0.00 0.00 0.00 51.96 50.38 2gqb s ALA 23 Cb 0.10 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 2gqb s ALA 23 CO 0.04 -1.54 -0.19 -0.65 0.00 0.00 0.00 175.76 173.41 2gqb s GLN 24 N 1.14 1.10 0.29 0.00 -0.21 -1.26 -5.14 119.66 115.57 2gqb s GLN 24 Ca 0.03 -1.17 -0.26 0.00 0.02 0.00 0.00 55.36 53.98 2gqb s GLN 24 Cb -0.21 -1.27 -0.09 0.00 1.00 0.00 0.00 33.01 32.44 2gqb s GLN 24 CO -0.04 0.29 0.90 0.00 -2.12 0.00 0.00 175.29 174.32 2gqb s ALA 25 N -1.36 3.27 0.97 6.09 0.00 -1.26 -5.05 121.76 124.42 2gqb s ALA 25 Ca 0.07 0.47 -0.11 0.00 0.00 0.00 0.00 51.96 52.39 2gqb s ALA 25 Cb -0.09 -3.12 0.17 0.00 0.00 0.00 0.00 23.12 20.08 2gqb s ALA 25 CO 0.04 0.21 1.09 -2.14 0.00 0.00 0.00 175.76 174.96 2gqb s PRO 26 N -1.87 0.66 0.06 0.00 0.02 -1.26 -4.92 135.00 127.69 2gqb s PRO 26 Ca 0.47 1.04 -0.31 0.00 0.02 0.00 0.00 61.00 62.22 2gqb s PRO 26 Cb -0.20 -1.72 -0.08 0.00 0.02 0.00 0.00 34.50 32.52 2gqb s PRO 26 CO 0.25 -2.72 1.62 0.00 -0.33 0.00 0.00 177.00 175.82 2gqb s ALA 27 N -2.73 3.67 0.00 -1.55 0.00 -1.26 -3.51 121.76 116.38 2gqb s ALA 27 Ca 0.65 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.78 2gqb s ALA 27 Cb -0.21 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.22 2gqb s ALA 27 CO 0.59 -1.09 0.00 2.41 0.00 0.00 0.00 175.76 177.68 2gqb n THR 28 N 4.72 0.00 -2.48 0.00 -1.04 -1.26 -4.81 114.28 109.41 2gqb n THR 28 Ca 0.16 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.74 2gqb n THR 28 Cb 0.41 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 2gqb n THR 28 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2gqb n THR 29 N 0.00 3.94 -1.85 12.58 -2.24 -1.23 -4.95 114.28 120.53 2gqb n THR 29 Ca 0.00 -4.04 -0.43 0.00 -2.27 0.00 0.00 64.05 57.31 2gqb n THR 29 Cb 0.00 -2.42 -0.03 0.00 -2.10 0.00 0.00 70.33 65.79 2gqb n THR 29 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2gqb s GLY 30 N 3.63 1.10 -0.52 3.38 0.00 -1.26 -2.36 107.32 111.29 2gqb s GLY 30 Ca 0.50 0.81 0.00 0.00 0.00 0.00 0.00 44.72 46.03 2gqb s GLY 30 CO 0.03 3.35 0.00 0.00 0.00 0.00 0.00 173.10 176.49 2gqb n ALA 31 N 9.03 -0.07 0.96 3.20 0.00 -1.26 -4.82 120.51 127.55 2gqb n ALA 31 Ca 0.22 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.86 2gqb n ALA 31 Cb 0.44 -1.23 0.25 0.00 0.00 0.00 0.00 19.45 18.91 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 1.09 3.47 -2.56 0.00 0.00 -1.00 -4.79 120.51 116.73 2gqb n ALA 32 Ca -0.05 -0.34 -0.43 0.00 0.00 0.00 0.00 53.44 52.62 2gqb n ALA 32 Cb 0.39 -1.13 -0.05 0.00 0.00 0.00 0.00 19.45 18.67 2gqb n ALA 32 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2gqb s GLY 33 N -3.07 1.57 0.21 0.00 0.00 -1.26 -5.01 107.32 99.76 2gqb s GLY 33 Ca 0.11 -0.87 -0.31 0.00 0.00 0.00 0.00 44.72 43.64 2gqb s GLY 33 CO 0.70 1.85 1.58 -0.51 0.00 0.00 0.00 173.10 176.73 2gqb s THR 34 N 3.39 2.42 -0.14 0.90 -4.23 -1.26 -4.98 115.64 111.73 2gqb s THR 34 Ca 0.32 0.31 -0.05 0.00 -1.18 0.00 0.00 61.69 61.10 2gqb s THR 34 Cb -0.12 -3.20 0.07 0.00 1.34 0.00 0.00 72.50 70.59 2gqb s THR 34 CO 0.23 0.03 0.28 0.00 -0.54 0.00 0.00 174.62 174.61 2gqb s ALA 35 N 0.80 -0.60 -0.05 3.99 0.00 -1.26 -5.14 121.76 119.50 2gqb s ALA 35 Ca 0.68 0.95 -0.29 0.00 0.00 0.00 0.00 51.96 53.30 2gqb s ALA 35 Cb -0.45 -1.07 -0.02 0.00 0.00 0.00 0.00 23.12 21.57 2gqb s ALA 35 CO 0.36 -0.69 0.97 -1.25 0.00 0.00 0.00 175.76 175.15 2gqb s PRO 36 N 2.44 4.49 -0.99 0.00 0.04 -1.26 -4.99 135.00 134.73 2gqb s PRO 36 Ca 0.02 1.37 -0.20 0.00 0.04 0.00 0.00 61.00 62.23 2gqb s PRO 36 Cb -0.12 -3.49 0.11 0.00 0.04 0.00 0.00 34.50 31.03 2gqb s PRO 36 CO -0.09 -0.15 1.26 0.99 0.04 0.00 0.00 177.00 179.05 2gqb s THR 37 N 1.42 4.49 -0.40 1.26 2.01 -1.26 -4.86 115.64 118.30 2gqb s THR 37 Ca 0.50 -1.42 0.02 0.00 0.31 0.00 0.00 61.69 61.10 2gqb s THR 37 Cb -0.20 -4.89 0.16 0.00 0.01 0.00 0.00 72.50 67.58 2gqb s THR 37 CO 0.23 -1.66 0.29 0.00 -0.69 0.00 0.00 174.62 172.79 2gqb s ALA 38 N 3.34 1.34 -0.12 7.40 0.00 -1.26 -4.98 121.76 127.47 2gqb s ALA 38 Ca 0.38 -2.27 0.16 0.00 0.00 0.00 0.00 51.96 50.23 2gqb s ALA 38 Cb -0.03 -1.64 0.18 0.00 0.00 0.00 0.00 23.12 21.64 2gqb s ALA 38 CO -0.08 -2.04 1.50 -1.00 0.00 0.00 0.00 175.76 174.14 2gqb h PRO 39 N 6.26 0.00 -5.87 0.00 0.13 -1.98 -3.49 132.00 127.05 2gqb h PRO 39 Ca 0.16 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.11 2gqb h PRO 39 Cb 0.93 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.07 2gqb h PRO 39 CO 0.35 0.45 -0.76 1.04 -0.23 0.00 0.00 178.00 178.85 2gqb n GLN 40 N -3.25 -2.06 -1.62 0.86 6.02 -1.26 -4.77 117.38 111.29 2gqb n GLN 40 Ca 0.02 1.71 -0.38 0.00 -0.01 0.00 0.00 57.00 58.34 2gqb n GLN 40 Cb 0.69 -4.09 -0.03 0.00 1.02 0.00 0.00 30.24 27.83 2gqb n GLN 40 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 2gqb s PRO 41 N -2.77 2.41 0.00 -1.09 0.02 -1.26 -4.60 135.00 127.72 2gqb s PRO 41 Ca 0.26 1.49 0.00 0.00 0.02 0.00 0.00 61.00 62.76 2gqb s PRO 41 Cb -0.05 -4.51 0.00 0.00 0.02 0.00 0.00 34.50 29.96 2gqb s PRO 41 CO 0.82 -2.93 0.63 2.41 -0.33 0.00 0.00 177.00 177.60 2gqb n THR 42 N 7.86 0.00 -3.65 0.99 -1.04 -1.26 -5.11 114.28 112.07 2gqb n THR 42 Ca 0.33 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 62.19 2gqb n THR 42 Cb 0.52 0.30 -0.08 0.00 -1.82 0.00 0.00 70.33 69.25 2gqb n THR 42 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2gqb s ALA 43 N 0.00 -1.31 -0.38 2.41 0.00 -1.26 -5.13 121.76 116.09 2gqb s ALA 43 Ca 0.00 1.04 0.02 0.00 0.00 0.00 0.00 51.96 53.03 2gqb s ALA 43 Cb 0.00 -0.23 0.18 0.00 0.00 0.00 0.00 23.12 23.07 2gqb s ALA 43 CO 0.00 -0.30 0.77 0.00 0.00 0.00 0.00 175.76 176.23 2gqb s ALA 44 N -0.81 -3.05 -0.04 0.00 0.00 -1.26 -5.07 121.76 111.53 2gqb s ALA 44 Ca -0.09 0.58 -0.17 0.00 0.00 0.00 0.00 51.96 52.28 2gqb s ALA 44 Cb -0.03 -2.83 -0.10 0.00 0.00 0.00 0.00 23.12 20.16 2gqb s ALA 44 CO 0.05 -2.30 0.71 -1.00 0.00 0.00 0.00 175.76 173.22 2gqb h PRO 45 N 6.51 -0.48 -3.46 0.00 0.13 -2.02 -3.48 132.00 129.20 2gqb h PRO 45 Ca 0.02 0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 65.13 2gqb h PRO 45 Cb 1.20 0.11 -0.12 0.00 0.13 0.00 0.00 31.00 32.31 2gqb h PRO 45 CO 0.04 -0.25 -0.10 -1.12 -0.23 0.00 0.00 178.00 176.35 2gqb s SER 46 N -5.02 -0.18 -0.60 1.44 0.01 -1.26 -5.11 113.70 102.98 2gqb s SER 46 Ca -0.09 -0.45 -0.20 0.00 1.31 0.00 0.00 55.95 56.51 2gqb s SER 46 Cb 0.01 0.48 0.09 0.00 0.21 0.00 0.00 66.02 66.81 2gqb s SER 46 CO 0.30 -0.90 0.77 -0.63 0.41 0.00 0.00 173.24 173.19 2gqb s ILE 47 N -3.85 4.69 -0.62 1.44 -1.09 -1.01 -4.94 121.20 115.81 2gqb s ILE 47 Ca 0.06 -0.78 -0.28 0.00 -2.23 0.00 0.00 60.65 57.43 2gqb s ILE 47 Cb 0.02 -4.53 0.02 0.00 -1.58 0.00 0.00 42.46 36.39 2gqb s ILE 47 CO -0.08 -1.20 1.30 -0.62 -1.23 0.00 0.00 174.94 173.12 2gqb s ASP 48 N 3.58 6.24 0.42 3.58 -1.08 -1.26 0.94 116.67 129.09 2gqb s ASP 48 Ca 0.15 0.03 0.23 0.00 -0.52 0.00 0.00 52.55 52.43 2gqb s ASP 48 Cb -0.22 -2.55 0.53 0.00 -1.46 0.00 0.00 42.92 39.22 2gqb s ASP 48 CO 0.08 -1.67 1.66 0.58 0.52 0.00 0.00 175.17 176.34 2gqb h VAL 49 N 6.21 0.32 0.84 1.11 2.07 -1.57 -3.34 116.25 121.89 2gqb h VAL 49 Ca -0.26 -1.26 -0.04 0.00 0.82 0.00 0.00 66.70 65.96 2gqb h VAL 49 Cb 1.07 1.99 0.01 0.00 -1.52 0.00 0.00 31.29 32.84 2gqb h VAL 49 CO 1.21 0.17 -0.40 0.00 0.02 0.00 0.00 177.57 178.56 2gqb h ALA 50 N 1.83 -1.12 -0.01 1.67 0.00 -1.89 -2.23 119.26 117.50 2gqb h ALA 50 Ca -0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 2gqb h ALA 50 Cb 0.98 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2gqb h ALA 50 CO 0.02 -1.11 -0.24 -1.00 0.00 0.00 0.00 179.25 176.93 2gqb h PRO 51 N -1.17 0.02 0.37 0.00 0.13 -1.92 -0.63 132.00 128.80 2gqb h PRO 51 Ca -0.11 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.99 2gqb h PRO 51 Cb 0.87 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 2gqb h PRO 51 CO 0.19 0.25 -0.18 0.82 -0.23 0.00 0.00 178.00 178.85 2gqb h ILE 52 N 0.02 0.64 0.01 -3.56 2.04 -1.64 -2.08 117.51 112.95 2gqb h ILE 52 Ca 0.00 -0.22 -0.20 0.00 1.00 0.00 0.00 64.86 65.44 2gqb h ILE 52 Cb 0.43 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 2gqb h ILE 52 CO 0.03 0.04 -0.94 -0.07 0.00 0.00 0.00 178.15 177.21 2gqb h LEU 53 N -0.62 0.09 -0.15 1.44 4.07 -1.31 -0.70 115.31 118.12 2gqb h LEU 53 Ca -0.05 -0.09 0.02 0.00 0.08 0.00 0.00 57.88 57.84 2gqb h LEU 53 Cb 0.45 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 2gqb h LEU 53 CO 0.08 0.98 0.03 -0.78 -1.08 0.00 0.00 178.44 177.67 2gqb h ASP 54 N 0.03 0.01 1.17 -0.43 1.82 -1.10 -1.10 116.42 116.83 2gqb h ASP 54 Ca -0.03 0.02 -0.17 0.00 -0.39 0.00 0.00 57.03 56.46 2gqb h ASP 54 Cb 1.63 0.03 -0.02 0.00 0.68 0.00 0.00 39.33 41.64 2gqb h ASP 54 CO 0.13 0.03 -0.80 0.11 -1.61 0.00 0.00 179.24 177.10 2gqb h LYS 55 N 0.10 0.00 -0.54 0.28 6.56 -1.41 -3.22 116.57 118.34 2gqb h LYS 55 Ca 0.07 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.64 2gqb h LYS 55 Cb 0.06 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.69 2gqb h LYS 55 CO -0.09 0.80 0.26 0.00 -2.06 0.00 0.00 179.45 178.37 2gqb h ALA 56 N 1.20 1.45 -0.01 3.86 0.00 -0.80 -0.56 119.26 124.40 2gqb h ALA 56 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2gqb h ALA 56 Cb 1.60 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 2gqb h ALA 56 CO 0.10 0.44 0.01 0.28 0.00 0.00 0.00 179.25 180.08 2gqb h VAL 57 N 0.76 1.01 -0.27 0.00 2.07 -1.22 0.11 116.25 118.71 2gqb h VAL 57 Ca 0.19 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.64 2gqb h VAL 57 Cb 0.07 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 2gqb h VAL 57 CO -0.03 0.01 -0.07 0.11 0.02 0.00 0.00 177.57 177.61 2gqb h LYS 58 N 0.01 0.43 -0.01 1.57 1.57 -1.47 -1.86 116.57 116.80 2gqb h LYS 58 Ca 0.00 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2gqb h LYS 58 Cb 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2gqb h LYS 58 CO -0.00 0.52 -0.12 0.00 -0.57 0.00 0.00 179.45 179.28 2gqb n ALA 59 N -2.48 2.81 -0.04 3.86 0.00 -0.27 -4.13 120.51 120.26 2gqb n ALA 59 Ca 0.01 -0.46 -0.18 0.00 0.00 0.00 0.00 53.44 52.80 2gqb n ALA 59 Cb 0.27 -1.10 -0.13 0.00 0.00 0.00 0.00 19.45 18.49 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 2.12 0.11 0.00 0.00 1.63 0.10 -3.49 116.57 117.03 2gqb h LYS 60 Ca 0.00 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 2gqb h LYS 60 Cb 0.56 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 2gqb h LYS 60 CO 0.00 1.09 0.00 0.41 -3.45 0.00 0.00 179.45 177.50 2gqb n GLY 61 N 1.61 1.62 1.28 5.01 0.00 -1.19 -5.10 105.19 108.41 2gqb n GLY 61 Ca -0.18 -0.13 -0.06 0.00 0.00 0.00 0.00 46.02 45.65 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 0.25 -2.68 1.61 0.28 -1.26 -5.06 120.64 113.78 2gqb n GLU 62 Ca 0.00 -1.11 -0.43 0.00 -0.16 0.00 0.00 57.16 55.46 2gqb n GLU 62 Cb 0.00 1.04 -0.02 0.00 1.43 0.00 0.00 31.44 33.88 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 -2.35 4.31 0.03 3.44 2.36 -1.26 -4.49 119.74 121.78 2gqb s LYS 63 Ca 0.12 1.35 0.04 0.00 -2.55 0.00 0.00 55.97 54.93 2gqb s LYS 63 Cb -0.00 -3.61 -0.02 0.00 -1.05 0.00 0.00 37.83 33.15 2gqb s LYS 63 CO 0.09 -0.52 -0.13 -0.51 1.55 0.00 0.00 175.35 175.83 2gqb s LEU 64 N 2.80 2.14 -0.55 5.43 1.43 -1.26 -5.10 118.68 123.57 2gqb s LEU 64 Ca 0.45 -0.40 0.04 0.00 -1.03 0.00 0.00 54.13 53.19 2gqb s LEU 64 Cb -0.16 -0.55 0.14 0.00 0.03 0.00 0.00 46.19 45.64 2gqb s LEU 64 CO 0.10 0.04 0.30 -1.61 0.23 0.00 0.00 176.35 175.41 2gqb s GLU 65 N -0.96 2.01 0.18 1.70 2.02 -1.26 -4.93 118.70 117.46 2gqb s GLU 65 Ca 0.01 -2.71 0.22 0.00 0.02 0.00 0.00 54.97 52.51 2gqb s GLU 65 Cb -0.07 -3.24 0.89 0.00 0.10 0.00 0.00 34.13 31.81 2gqb s GLU 65 CO 0.01 -1.15 1.68 -2.67 0.02 0.00 0.00 175.26 173.14 2gqb n TRP 66 N 2.91 0.61 -0.04 1.61 4.27 -1.26 -0.99 117.44 124.54 2gqb n TRP 66 Ca 0.08 0.23 -0.11 0.00 -3.89 0.00 0.00 57.50 53.81 2gqb n TRP 66 Cb 0.33 -0.86 -0.05 0.00 -1.36 0.00 0.00 31.31 29.37 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 0.25 0.00 -2.67 3.08 -1.97 -3.36 114.38 109.71 2gqb h ARG 67 Ca 0.00 -0.05 -0.33 0.00 0.07 0.00 0.00 59.98 59.67 2gqb h ARG 67 Cb 0.40 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.35 2gqb h ARG 67 CO 0.00 0.34 -2.27 -2.37 -1.07 0.00 0.00 179.97 174.60 2gqb n THR 68 N -4.85 1.27 -3.15 2.04 5.66 -1.15 -4.74 114.28 109.36 2gqb n THR 68 Ca -0.04 -0.60 -0.42 0.00 -3.05 0.00 0.00 64.05 59.94 2gqb n THR 68 Cb 0.12 -1.00 -0.07 0.00 -1.55 0.00 0.00 70.33 67.83 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 -5.81 6.38 0.40 1.09 0.01 -0.16 -4.91 113.70 110.71 2gqb s SER 69 Ca -0.22 0.05 0.21 0.00 1.31 0.00 0.00 55.95 57.30 2gqb s SER 69 Cb 0.07 -2.31 0.71 0.00 0.21 0.00 0.00 66.02 64.70 2gqb s SER 69 CO 0.60 -0.57 1.74 -0.29 0.41 0.00 0.00 173.24 175.13 2gqb h ILE 70 N 5.67 0.70 0.00 1.44 6.09 -1.83 -2.84 117.51 126.75 2gqb h ILE 70 Ca -0.27 -1.40 -0.18 0.00 -1.37 0.00 0.00 64.86 61.64 2gqb h ILE 70 Cb 1.11 1.91 -0.03 0.00 0.47 0.00 0.00 36.82 40.29 2gqb h ILE 70 CO 0.82 0.30 -0.88 0.58 -3.07 0.00 0.00 178.15 175.90 2gqb h VAL 71 N 0.00 1.63 -0.41 2.19 2.07 -1.94 -3.17 116.25 116.61 2gqb h VAL 71 Ca -0.00 -3.03 -0.06 0.00 0.82 0.00 0.00 66.70 64.43 2gqb h VAL 71 Cb 0.89 2.64 -0.02 0.00 -1.52 0.00 0.00 31.29 33.28 2gqb h VAL 71 CO 0.04 0.86 0.03 0.44 0.02 0.00 0.00 177.57 178.96 2gqb h ASP 72 N 0.00 0.68 0.56 0.57 5.19 -1.81 -1.75 116.42 119.87 2gqb h ASP 72 Ca -0.01 -0.29 -0.11 0.00 -0.62 0.00 0.00 57.03 56.01 2gqb h ASP 72 Cb 1.57 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.88 2gqb h ASP 72 CO 0.11 0.80 -0.50 0.17 -3.12 0.00 0.00 179.24 176.70 2gqb h LEU 73 N 0.54 0.00 -0.19 1.55 8.10 -1.65 -0.49 115.31 123.18 2gqb h LEU 73 Ca 0.12 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.10 2gqb h LEU 73 Cb 0.43 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.65 2gqb h LEU 73 CO 0.02 0.50 0.06 -0.03 -4.11 0.00 0.00 178.44 174.88 2gqb h MET 74 N 0.00 0.29 -0.01 0.17 4.05 -1.44 -2.86 114.93 115.13 2gqb h MET 74 Ca -0.01 -0.06 -0.16 0.00 -0.28 0.00 0.00 59.70 59.19 2gqb h MET 74 Cb 0.92 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.66 2gqb h MET 74 CO 0.07 0.39 -0.75 1.57 0.23 0.00 0.00 176.91 178.42 2gqb h LYS 75 N 0.13 0.09 -0.89 0.39 2.10 -1.25 -2.84 116.57 114.30 2gqb h LYS 75 Ca 0.06 -0.08 0.08 0.00 -2.00 0.00 0.00 60.65 58.71 2gqb h LYS 75 Cb 0.22 0.02 -0.07 0.00 -0.90 0.00 0.00 32.23 31.51 2gqb h LYS 75 CO -0.00 0.80 0.55 0.00 -2.00 0.00 0.00 179.45 178.79 2gqb h ALA 76 N 1.18 1.26 -2.30 0.07 0.00 -0.90 -3.02 119.26 115.55 2gqb h ALA 76 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2gqb h ALA 76 Cb 1.32 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2gqb h ALA 76 CO 0.11 0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.89 2gqb n LEU 77 N -4.63 0.59 0.00 0.00 7.99 -1.10 -4.71 117.00 115.14 2gqb n LEU 77 Ca 0.14 0.49 0.00 0.00 -0.01 0.00 0.00 56.01 56.63 2gqb n LEU 77 Cb 0.23 -0.12 0.00 0.00 -0.11 0.00 0.00 43.42 43.42 2gqb n LEU 77 CO 0.30 -0.12 0.00 -0.67 -1.51 0.00 0.00 177.39 175.39 2gqb n ASP 78 N -0.85 0.00 -4.26 -1.43 2.03 -1.14 -5.07 116.55 105.83 2gqb n ASP 78 Ca 0.00 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.03 2gqb n ASP 78 Cb 0.00 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.25 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 1.78 0.38 5.18 -1.09 -1.07 -5.00 121.20 121.38 2gqb s ILE 79 Ca 0.00 -1.09 0.19 0.00 -2.23 0.00 0.00 60.65 57.51 2gqb s ILE 79 Cb 0.00 -1.51 0.18 0.00 -1.58 0.00 0.00 42.46 39.56 2gqb s ILE 79 CO 0.00 0.39 1.94 -2.24 -1.23 0.00 0.00 174.94 173.79 2gqb h ASP 80 N 5.25 0.00 -2.69 3.58 3.04 -1.92 -3.37 116.42 120.31 2gqb h ASP 80 Ca -0.42 0.00 -0.35 0.00 -3.24 0.00 0.00 57.03 53.02 2gqb h ASP 80 Cb 1.14 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.38 2gqb h ASP 80 CO 0.46 0.24 -0.40 -1.54 -2.04 0.00 0.00 179.24 175.96 2gqb n SER 81 N -3.94 -4.90 -2.48 4.15 3.41 -1.26 -4.97 113.62 103.62 2gqb n SER 81 Ca -0.02 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2gqb n SER 81 Cb 0.32 -4.20 0.00 0.00 -0.26 0.00 0.00 64.21 60.07 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 -1.63 0.00 0.05 4.04 2.88 -1.26 -4.72 113.62 112.99 2gqb n SER 82 Ca -0.19 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.22 2gqb n SER 82 Cb 0.63 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 64.00 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 -0.16 -1.10 2.46 7.12 -1.99 -2.46 115.31 119.18 2gqb h LEU 83 Ca 0.00 -0.37 0.04 0.00 0.13 0.00 0.00 57.88 57.68 2gqb h LEU 83 Cb 0.00 0.04 -0.05 0.00 -0.53 0.00 0.00 40.66 40.12 2gqb h LEU 83 CO 0.00 0.33 0.61 0.28 -0.13 0.00 0.00 178.44 179.53 2gqb h SER 84 N -0.72 1.00 0.64 1.25 0.02 -1.98 -0.07 113.55 113.69 2gqb h SER 84 Ca -0.02 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 2gqb h SER 84 Cb 0.52 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.83 2gqb h SER 84 CO 0.03 0.69 -0.31 0.00 -1.14 0.00 0.00 176.83 176.10 2gqb h ALA 85 N 1.46 -0.86 0.00 3.77 0.00 -1.91 -0.94 119.26 120.78 2gqb h ALA 85 Ca 0.37 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2gqb h ALA 85 Cb 0.02 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2gqb h ALA 85 CO -0.11 -0.94 -0.13 0.07 0.00 0.00 0.00 179.25 178.14 2gqb h ARG 86 N -0.95 0.00 -0.01 0.00 0.11 -1.16 -1.55 114.38 110.83 2gqb h ARG 86 Ca -0.09 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.84 2gqb h ARG 86 Cb 0.69 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.78 2gqb h ARG 86 CO 0.14 0.13 -0.57 -0.22 0.10 0.00 0.00 179.97 179.55 2gqb h LYS 87 N 0.00 0.40 -0.21 0.08 1.63 -0.86 -3.08 116.57 114.52 2gqb h LYS 87 Ca -0.00 -0.42 -0.20 0.00 -0.85 0.00 0.00 60.65 59.18 2gqb h LYS 87 Cb 0.35 0.12 0.01 0.00 -0.60 0.00 0.00 32.23 32.11 2gqb h LYS 87 CO 0.02 1.09 -0.65 1.05 -3.45 0.00 0.00 179.45 177.50 2gqb h GLU 88 N -0.12 0.82 -0.67 1.90 4.11 -0.77 -1.83 114.58 118.02 2gqb h GLU 88 Ca -0.07 -0.59 0.08 0.00 0.07 0.00 0.00 59.36 58.84 2gqb h GLU 88 Cb 1.28 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.57 2gqb h GLU 88 CO 0.11 1.21 0.33 1.25 0.07 0.00 0.00 179.01 181.99 2gqb h LEU 89 N 0.57 0.45 -0.42 3.06 5.85 -1.40 -0.42 115.31 123.00 2gqb h LEU 89 Ca -0.02 0.05 -0.16 0.00 0.84 0.00 0.00 57.88 58.59 2gqb h LEU 89 Cb 1.27 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 2gqb h LEU 89 CO 0.14 0.27 -0.43 0.00 -0.34 0.00 0.00 178.44 178.08 2gqb h ALA 90 N 1.39 0.60 0.00 1.25 0.00 -1.47 -3.15 119.26 117.88 2gqb h ALA 90 Ca 0.32 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2gqb h ALA 90 Cb 0.29 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2gqb h ALA 90 CO -0.24 0.68 -0.33 1.57 0.00 0.00 0.00 179.25 180.93 2gqb h LYS 91 N 0.69 0.00 -0.49 0.00 2.10 -0.51 0.41 116.57 118.77 2gqb h LYS 91 Ca 0.05 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.60 2gqb h LYS 91 Cb 1.01 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.32 2gqb h LYS 91 CO 0.10 0.33 -0.09 0.93 -2.00 0.00 0.00 179.45 178.72 2gqb h GLU 92 N 0.00 0.88 -0.09 0.07 4.39 -1.07 -2.95 114.58 115.82 2gqb h GLU 92 Ca -0.00 -0.30 -0.24 0.00 0.34 0.00 0.00 59.36 59.17 2gqb h GLU 92 Cb 0.87 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.46 2gqb h GLU 92 CO 0.04 0.93 -0.88 -0.07 -1.16 0.00 0.00 179.01 177.88 2gqb h LEU 93 N 0.79 0.87 0.00 1.33 3.38 -1.38 -3.48 115.31 116.83 2gqb h LEU 93 Ca 0.13 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2gqb h LEU 93 Cb 0.60 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2gqb h LEU 93 CO 0.04 1.42 0.00 0.61 0.09 0.00 0.00 178.44 180.60 2gqb n GLY 94 N 0.83 0.54 2.59 0.83 0.00 0.29 -5.02 105.19 105.25 2gqb n GLY 94 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.09 -3.99 1.61 9.36 0.12 -4.79 117.16 116.38 2gqb n TYR 95 Ca 0.00 1.29 -0.30 0.00 3.32 0.00 0.00 57.90 62.22 2gqb n TYR 95 Cb 0.00 -3.65 -0.16 0.00 -0.63 0.00 0.00 39.34 34.89 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 -2.00 2.75 0.00 2.98 0.01 -1.26 -4.99 113.70 111.18 2gqb s SER 96 Ca 0.13 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.85 2gqb s SER 96 Cb -0.04 -1.12 0.00 0.00 0.21 0.00 0.00 66.02 65.07 2gqb s SER 96 CO 0.65 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.82 2gqb n GLY 97 N 4.79 1.02 2.05 3.44 0.00 -1.26 -5.08 105.19 110.14 2gqb n GLY 97 Ca -0.16 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 -0.82 -0.92 1.61 -0.08 -1.26 -4.97 116.55 110.12 2gqb n ASP 98 Ca 0.00 0.18 0.07 0.00 -1.51 0.00 0.00 54.79 53.53 2gqb n ASP 98 Cb 0.00 1.13 0.25 0.00 2.34 0.00 0.00 41.12 44.84 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 -2.70 2.75 -0.04 -0.67 0.00 -1.26 -4.60 117.12 110.60 2gqb n MET 99 Ca 0.00 -2.88 -0.11 0.00 0.00 0.00 0.00 57.70 54.71 2gqb n MET 99 Cb 0.00 -1.84 -0.14 0.00 0.00 0.00 0.00 33.22 31.23 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 -0.61 0.84 -1.28 3.17 6.94 -1.26 -5.03 115.26 118.03 2gqb n ASN 100 Ca 0.23 0.28 0.16 0.00 -0.02 0.00 0.00 54.58 55.23 2gqb n ASN 100 Cb 0.92 0.09 -0.04 0.00 -2.36 0.00 0.00 39.78 38.39 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 -3.03 -7.57 0.27 0.53 2.03 -1.26 -2.12 116.55 105.40 2gqb n ASP 101 Ca -0.23 1.26 0.12 0.00 0.52 0.00 0.00 54.79 56.46 2gqb n ASP 101 Cb 1.07 -3.54 0.74 0.00 -0.72 0.00 0.00 41.12 38.68 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 -1.08 0.00 0.62 1.67 0.02 -1.98 -0.94 113.55 111.86 2gqb h SER 102 Ca 0.02 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2gqb h SER 102 Cb 1.07 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 2gqb h SER 102 CO 0.01 0.10 -0.50 0.00 -1.14 0.00 0.00 176.83 175.30 2gqb h ALA 103 N 1.90 -1.18 0.00 3.77 0.00 -2.01 -1.49 119.26 120.24 2gqb h ALA 103 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2gqb h ALA 103 Cb 0.27 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2gqb h ALA 103 CO 0.01 -1.19 0.00 0.77 0.00 0.00 0.00 179.25 178.84 2gqb h SER 104 N -1.08 0.00 -0.29 0.00 0.02 -1.33 -3.23 113.55 107.63 2gqb h SER 104 Ca -0.08 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.77 2gqb h SER 104 Cb 0.91 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 2gqb h SER 104 CO 0.00 0.00 -0.15 -0.03 -1.14 0.00 0.00 176.83 175.51 2gqb h MET 105 N 0.00 0.73 0.00 3.45 -1.53 -0.82 -2.18 114.93 114.58 2gqb h MET 105 Ca 0.00 -0.25 -0.04 0.00 -3.44 0.00 0.00 59.70 55.96 2gqb h MET 105 Cb 0.85 -0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.84 2gqb h MET 105 CO 0.00 0.84 -0.21 -0.97 0.14 0.00 0.00 176.91 176.71 2gqb h ASN 106 N 0.65 0.00 0.16 1.39 -1.24 -1.30 -2.15 115.58 113.09 2gqb h ASN 106 Ca 0.11 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.11 2gqb h ASN 106 Cb 0.63 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.68 2gqb h ASN 106 CO 0.04 0.21 -0.08 0.40 -1.29 0.00 0.00 177.43 176.72 2gqb h ILE 107 N 0.00 0.54 -0.17 2.57 2.04 -1.54 -2.70 117.51 118.25 2gqb h ILE 107 Ca -0.00 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.74 2gqb h ILE 107 Cb 0.44 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2gqb h ILE 107 CO 0.03 0.16 0.07 -0.25 0.00 0.00 0.00 178.15 178.16 2gqb h TRP 108 N -0.98 0.25 -0.38 1.37 7.01 -1.44 -2.57 115.95 119.21 2gqb h TRP 108 Ca -0.02 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 60.95 2gqb h TRP 108 Cb 0.42 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.39 2gqb h TRP 108 CO 0.07 0.30 0.17 1.25 -2.79 0.00 0.00 178.44 177.44 2gqb h LEU 109 N 0.13 0.47 -1.02 0.65 5.85 -1.54 -1.72 115.31 118.13 2gqb h LEU 109 Ca 0.06 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2gqb h LEU 109 Cb 0.15 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 2gqb h LEU 109 CO -0.01 0.42 0.50 -0.74 -0.34 0.00 0.00 178.44 178.28 2gqb h HIS 110 N 0.53 1.15 0.51 1.25 2.76 -1.12 -1.55 115.15 118.69 2gqb h HIS 110 Ca 0.13 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.27 2gqb h HIS 110 Cb 0.08 -0.38 0.00 0.00 1.55 0.00 0.00 27.41 28.67 2gqb h HIS 110 CO 0.00 0.78 -0.24 0.87 -1.30 0.00 0.00 177.93 178.04 2gqb h LYS 111 N 1.20 -0.66 -0.26 5.26 1.79 -1.07 -3.17 116.57 119.66 2gqb h LYS 111 Ca 0.31 0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.84 2gqb h LYS 111 Cb -0.02 0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 2gqb h LYS 111 CO -0.06 -0.37 0.14 1.96 -1.08 0.00 0.00 179.45 180.05 2gqb h GLN 112 N -1.07 0.28 -0.98 3.15 1.08 -1.35 -2.21 115.11 114.01 2gqb h GLN 112 Ca -0.07 -0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.14 2gqb h GLN 112 Cb 0.59 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.91 2gqb h GLN 112 CO 0.11 0.19 0.64 0.28 -0.95 0.00 0.00 178.83 179.11 2gqb h VAL 113 N 0.29 1.21 -0.17 -0.54 2.07 -1.42 -1.88 116.25 115.82 2gqb h VAL 113 Ca 0.10 -0.44 -0.11 0.00 0.82 0.00 0.00 66.70 67.08 2gqb h VAL 113 Cb 0.01 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.59 2gqb h VAL 113 CO -0.06 0.23 -0.36 0.24 0.02 0.00 0.00 177.57 177.64 2gqb h MET 114 N 1.28 0.35 0.00 1.57 2.86 -1.44 -1.27 114.93 118.28 2gqb h MET 114 Ca 0.37 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.85 2gqb h MET 114 Cb -0.07 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.58 2gqb h MET 114 CO -0.10 0.67 -0.02 0.77 1.06 0.00 0.00 176.91 179.29 2gqb h SER 115 N 0.30 0.00 0.02 1.22 0.02 -0.75 -0.94 113.55 113.43 2gqb h SER 115 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2gqb h SER 115 Cb 0.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2gqb h SER 115 CO 0.06 0.02 -0.60 0.29 -1.14 0.00 0.00 176.83 175.46 2gqb n LYS 116 N -3.15 0.83 0.00 3.45 4.76 -0.68 -4.34 118.16 119.03 2gqb n LYS 116 Ca -0.01 -0.68 0.00 0.00 -2.87 0.00 0.00 58.31 54.76 2gqb n LYS 116 Cb 0.24 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 2gqb n LYS 116 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2gqb n LEU 117 N -0.49 0.00 0.10 -0.35 0.00 -0.49 -4.70 117.00 111.07 2gqb n LEU 117 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 56.01 56.21 2gqb n LEU 117 Cb 0.42 -0.31 0.46 0.00 0.00 0.00 0.00 43.42 43.99 2gqb n LEU 117 CO 0.32 -0.43 0.85 1.33 0.00 0.00 0.00 177.39 179.47 2gqb n VAL 118 N -2.34 0.77 0.71 1.96 0.24 -0.48 -2.25 118.33 116.94 2gqb n VAL 118 Ca 0.00 0.12 0.08 0.00 -2.04 0.00 0.00 64.34 62.51 2gqb n VAL 118 Cb 0.00 -1.00 0.40 0.00 -1.47 0.00 0.00 33.84 31.77 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 -1.73 1.87 1.37 2.33 0.00 -1.25 -0.65 120.51 122.44 2gqb n ALA 119 Ca 0.03 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.52 2gqb n ALA 119 Cb 0.27 -1.28 0.45 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.40 1.50 0.00 0.00 3.02 -0.95 -4.82 115.26 112.62 2gqb n ASN 120 Ca 0.06 -1.60 0.00 0.00 -0.03 0.00 0.00 54.58 53.01 2gqb n ASN 120 Cb 0.17 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 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 1.13 1.40 3.73 7.41 0.00 -0.88 -5.05 105.19 112.93 2gqb n GLY 121 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.84 2.84 -0.16 -0.02 0.00 0.18 -2.42 107.32 105.91 2gqb s GLY 122 Ca 0.00 0.72 -0.03 0.00 0.00 0.00 0.00 44.72 45.41 2gqb s GLY 122 CO 0.00 1.65 -0.06 1.25 0.00 0.00 0.00 173.10 175.94 2gqb s LYS 123 N 0.07 3.59 0.04 2.90 2.36 0.27 -4.74 119.74 124.23 2gqb s LYS 123 Ca 0.50 -0.56 0.02 0.00 -2.55 0.00 0.00 55.97 53.39 2gqb s LYS 123 Cb -0.27 -2.87 -0.02 0.00 -1.05 0.00 0.00 37.83 33.62 2gqb s LYS 123 CO 0.32 0.20 -0.08 -0.48 1.55 0.00 0.00 175.35 176.86 2gqb s LEU 124 N 0.44 2.24 0.86 5.43 -0.00 -1.26 -1.32 118.68 125.07 2gqb s LEU 124 Ca -0.05 -0.53 -0.12 0.00 -0.00 0.00 0.00 54.13 53.43 2gqb s LEU 124 Cb -0.15 -0.20 0.11 0.00 -0.00 0.00 0.00 46.19 45.95 2gqb s LEU 124 CO 0.03 -0.18 1.17 -2.84 -0.00 0.00 0.00 176.35 174.53 2gqb s PRO 125 N -1.51 1.56 0.00 1.48 0.02 -1.26 -4.92 135.00 130.38 2gqb s PRO 125 Ca -0.09 0.17 0.05 0.00 0.02 0.00 0.00 61.00 61.16 2gqb s PRO 125 Cb -0.10 -1.90 0.33 0.00 0.02 0.00 0.00 34.50 32.85 2gqb s PRO 125 CO 0.01 -1.89 0.71 -0.35 -0.33 0.00 0.00 177.00 175.15 2gqb n PRO 126 N -3.53 0.25 0.19 5.54 -0.04 -1.26 -1.02 135.00 135.13 2gqb n PRO 126 Ca 0.08 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.61 2gqb n PRO 126 Cb 0.60 -1.33 0.23 0.00 -0.04 0.00 0.00 33.50 32.96 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 0.00 -4.14 0.54 4.39 -2.05 -3.41 114.58 109.91 2gqb h GLU 127 Ca 0.00 0.00 -0.75 0.00 0.34 0.00 0.00 59.36 58.95 2gqb h GLU 127 Cb 0.00 0.00 -0.25 0.00 -0.10 0.00 0.00 28.75 28.40 2gqb h GLU 127 CO 0.00 0.31 -0.26 0.42 -1.16 0.00 0.00 179.01 178.33 2gqb s ILE 128 N -3.29 4.96 -0.51 3.13 -1.09 -0.19 -5.01 121.20 119.19 2gqb s ILE 128 Ca 0.03 -1.60 -0.18 0.00 -2.23 0.00 0.00 60.65 56.67 2gqb s ILE 128 Cb 0.08 -4.20 0.07 0.00 -1.58 0.00 0.00 42.46 36.84 2gqb s ILE 128 CO 0.69 -0.85 0.58 -0.75 -1.23 0.00 0.00 174.94 173.38 2gqb s LYS 129 N 1.51 3.07 0.00 2.79 2.47 -1.26 -4.89 119.74 123.42 2gqb s LYS 129 Ca 0.04 -1.10 0.25 0.00 -1.56 0.00 0.00 55.97 53.60 2gqb s LYS 129 Cb -0.29 -4.14 0.41 0.00 -1.46 0.00 0.00 37.83 32.35 2gqb s LYS 129 CO 0.02 -1.24 1.38 -2.39 0.16 0.00 0.00 175.35 173.28