#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 4.54 0.48 7.83 1.04 -1.26 -4.17 113.70 122.16 2gqb s SER 2 Ca 0.00 -2.48 0.17 0.00 0.48 0.00 0.00 55.95 54.11 2gqb s SER 2 Cb 0.00 -1.59 1.15 0.00 0.10 0.00 0.00 66.02 65.68 2gqb s SER 2 CO 0.00 -0.32 2.05 0.40 0.98 0.00 0.00 173.24 176.35 2gqb h ILE 3 N 6.14 1.02 0.00 -1.02 2.04 -1.90 0.14 117.51 123.93 2gqb h ILE 3 Ca -0.06 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 2gqb h ILE 3 Cb 0.97 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 38.28 2gqb h ILE 3 CO 0.58 0.12 -0.09 2.19 0.00 0.00 0.00 178.15 180.95 2gqb h PHE 4 N 0.00 0.00 -0.00 1.37 -5.15 -1.93 0.99 116.94 112.21 2gqb h PHE 4 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 2gqb h PHE 4 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.40 2gqb h PHE 4 CO 0.00 0.09 -0.67 0.41 -2.00 0.00 0.00 178.31 176.14 2gqb n GLY 5 N -0.86 -0.80 0.13 6.09 0.00 0.41 -3.62 105.19 106.54 2gqb n GLY 5 Ca -0.02 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.28 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 0.65 0.23 -0.00 1.61 1.57 -0.09 -3.35 116.57 117.19 2gqb h LYS 6 Ca 0.00 -0.39 -0.19 0.00 -1.87 0.00 0.00 60.65 58.20 2gqb h LYS 6 Cb 0.55 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 2gqb h LYS 6 CO 0.00 1.10 -0.85 -0.84 -0.57 0.00 0.00 179.45 178.30 2gqb h ILE 7 N 0.06 1.51 0.00 1.86 3.07 -1.08 -3.19 117.51 119.75 2gqb h ILE 7 Ca -0.39 -2.62 0.00 0.00 1.55 0.00 0.00 64.86 63.40 2gqb h ILE 7 Cb 2.04 2.45 0.00 0.00 -0.27 0.00 0.00 36.82 41.03 2gqb h ILE 7 CO 0.10 0.76 0.00 0.00 -1.05 0.00 0.00 178.15 177.96 2gqb h MET 8 N 0.08 0.00 0.00 0.16 -0.00 -1.72 -2.18 114.93 111.27 2gqb h MET 8 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 2gqb h MET 8 Cb 1.47 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.07 2gqb h MET 8 CO 0.12 0.00 0.00 0.45 -0.00 0.00 0.00 176.91 177.48 2gqb n SER 9 N -2.84 0.27 -0.10 -0.10 2.88 -1.21 -0.53 113.62 111.99 2gqb n SER 9 Ca 0.01 0.56 -0.15 0.00 -1.33 0.00 0.00 58.87 57.96 2gqb n SER 9 Cb 0.27 -0.62 -0.09 0.00 -0.75 0.00 0.00 64.21 63.02 2gqb n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2gqb n ALA 10 N -1.61 1.56 -0.11 -1.46 0.00 -0.84 -4.01 120.51 114.05 2gqb n ALA 10 Ca 0.04 -0.87 -0.09 0.00 0.00 0.00 0.00 53.44 52.52 2gqb n ALA 10 Cb 0.22 0.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.05 1.16 -0.40 0.00 2.04 -1.27 -2.09 117.51 116.90 2gqb h ILE 11 Ca -0.46 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 64.96 2gqb h ILE 11 Cb 1.69 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 38.59 2gqb h ILE 11 CO -0.09 0.16 0.00 0.49 0.00 0.00 0.00 178.15 178.72 2gqb n PHE 12 N -4.75 1.46 -1.98 1.37 3.01 0.31 -4.17 117.46 112.71 2gqb n PHE 12 Ca -0.01 -0.51 -0.10 0.00 1.01 0.00 0.00 57.45 57.84 2gqb n PHE 12 Cb 0.10 -0.39 0.09 0.00 -0.01 0.00 0.00 39.48 39.27 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 0.43 5.25 3.59 1.37 0.00 -0.78 -4.99 105.19 110.05 2gqb n GLY 13 Ca 0.19 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 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 -3.40 6.39 -0.00 1.61 2.15 -1.25 -4.73 116.67 117.44 2gqb s ASP 14 Ca 0.43 0.34 0.00 0.00 0.43 0.00 0.00 52.55 53.76 2gqb s ASP 14 Cb 0.39 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.46 2gqb s ASP 14 CO -0.02 -1.48 0.67 -1.20 -0.17 0.00 0.00 175.17 172.97 2gqb n SER 15 N 8.66 0.63 -0.41 -0.34 7.64 -1.26 -4.75 113.62 123.78 2gqb n SER 15 Ca 0.12 -1.36 0.05 0.00 1.01 0.00 0.00 58.87 58.69 2gqb n SER 15 Cb 0.49 -0.01 0.18 0.00 -1.01 0.00 0.00 64.21 63.85 2gqb n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gqb n ALA 16 N -0.17 2.48 -2.82 -0.43 0.00 -1.26 -4.87 120.51 113.44 2gqb n ALA 16 Ca 0.00 -0.40 -0.19 0.00 0.00 0.00 0.00 53.44 52.85 2gqb n ALA 16 Cb 0.43 -1.02 0.03 0.00 0.00 0.00 0.00 19.45 18.89 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 0.13 -0.78 -0.49 0.00 0.00 -1.26 -4.95 120.51 113.15 2gqb n ALA 17 Ca 0.09 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2gqb n ALA 17 Cb 0.21 -3.19 0.00 0.00 0.00 0.00 0.00 19.45 16.47 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 -3.08 0.00 -1.27 0.00 0.00 -1.26 -3.85 120.51 111.05 2gqb n ALA 18 Ca -0.11 -0.08 0.17 0.00 0.00 0.00 0.00 53.44 53.42 2gqb n ALA 18 Cb 0.61 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.02 2gqb n ALA 18 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2gqb n SER 19 N -1.72 -7.51 -4.56 0.00 7.64 -1.26 -1.44 113.62 104.77 2gqb n SER 19 Ca 0.00 0.57 -0.39 0.00 1.01 0.00 0.00 58.87 60.06 2gqb n SER 19 Cb 0.00 -3.96 -0.03 0.00 -1.01 0.00 0.00 64.21 59.21 2gqb n SER 19 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2gqb s PRO 20 N -2.27 2.76 -0.49 1.43 0.02 -1.26 -3.78 135.00 131.40 2gqb s PRO 20 Ca 0.00 0.73 -0.02 0.00 0.02 0.00 0.00 61.00 61.73 2gqb s PRO 20 Cb 0.00 -4.35 0.00 0.00 0.02 0.00 0.00 34.50 30.17 2gqb s PRO 20 CO 0.00 -2.57 0.23 0.41 -0.33 0.00 0.00 177.00 174.74 2gqb n GLY 21 N 5.64 0.32 0.00 0.52 0.00 -1.26 -4.93 105.19 105.48 2gqb n GLY 21 Ca 0.20 -0.47 0.05 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.00 -0.35 3.72 -0.02 0.00 -0.52 -5.00 105.19 102.02 2gqb n GLY 22 Ca -0.03 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.54 3.59 0.44 4.61 0.00 -0.92 -4.79 121.76 122.14 2gqb s ALA 23 Ca -0.03 1.12 0.07 0.00 0.00 0.00 0.00 51.96 53.12 2gqb s ALA 23 Cb 0.06 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 2gqb s ALA 23 CO 0.38 -0.61 0.29 1.14 0.00 0.00 0.00 175.76 176.97 2gqb s GLN 24 N 1.01 2.35 -0.17 0.00 -2.07 -1.26 -5.11 119.66 114.41 2gqb s GLN 24 Ca 0.64 -1.77 -0.07 0.00 -1.82 0.00 0.00 55.36 52.35 2gqb s GLN 24 Cb -0.37 -2.15 -0.04 0.00 -1.09 0.00 0.00 33.01 29.36 2gqb s GLN 24 CO 0.31 -0.24 0.05 0.00 -1.32 0.00 0.00 175.29 174.09 2gqb s ALA 25 N -2.59 3.39 0.63 2.60 0.00 -1.26 -5.09 121.76 119.44 2gqb s ALA 25 Ca 0.42 -0.75 -0.18 0.00 0.00 0.00 0.00 51.96 51.45 2gqb s ALA 25 Cb 0.00 -1.85 -0.02 0.00 0.00 0.00 0.00 23.12 21.25 2gqb s ALA 25 CO 0.24 0.25 1.26 -2.14 0.00 0.00 0.00 175.76 175.37 2gqb s PRO 26 N 0.17 2.72 0.07 0.00 0.02 -1.26 -5.05 135.00 131.66 2gqb s PRO 26 Ca 0.04 1.97 0.02 0.00 0.02 0.00 0.00 61.00 63.05 2gqb s PRO 26 Cb -0.12 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.49 2gqb s PRO 26 CO 0.01 -1.44 -0.08 0.00 -0.33 0.00 0.00 177.00 175.15 2gqb s ALA 27 N -1.47 0.80 0.46 -1.55 0.00 -1.26 -5.14 121.76 113.58 2gqb s ALA 27 Ca 0.81 -1.00 -0.22 0.00 0.00 0.00 0.00 51.96 51.55 2gqb s ALA 27 Cb -0.35 0.06 -0.08 0.00 0.00 0.00 0.00 23.12 22.75 2gqb s ALA 27 CO 0.37 -0.07 1.07 -0.08 0.00 0.00 0.00 175.76 177.05 2gqb s THR 28 N -2.12 3.60 0.00 0.00 -1.32 -1.26 -5.06 115.64 109.48 2gqb s THR 28 Ca -0.01 1.11 0.00 0.00 -1.21 0.00 0.00 61.69 61.57 2gqb s THR 28 Cb -0.05 -3.51 0.00 0.00 -1.51 0.00 0.00 72.50 67.43 2gqb s THR 28 CO -0.01 -0.11 0.00 1.07 -2.21 0.00 0.00 174.62 173.36 2gqb n THR 29 N -0.60 0.00 0.00 5.08 5.66 -1.26 -4.78 114.28 118.38 2gqb n THR 29 Ca 0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 2gqb n THR 29 Cb 0.51 -0.02 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 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 5.00 1.89 0.05 1.09 0.00 -1.26 -4.55 105.19 107.42 2gqb n GLY 30 Ca 0.00 -0.73 0.12 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.10 2.91 -2.34 4.61 0.00 -1.26 -4.71 120.51 119.61 2gqb n ALA 31 Ca 0.00 -0.22 -0.35 0.00 0.00 0.00 0.00 53.44 52.87 2gqb n ALA 31 Cb 0.00 -1.23 -0.04 0.00 0.00 0.00 0.00 19.45 18.18 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 -3.10 2.26 0.00 0.00 0.00 -1.26 -4.51 121.76 115.14 2gqb s ALA 32 Ca 0.09 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 50.11 2gqb s ALA 32 Cb 0.15 -4.54 0.00 0.00 0.00 0.00 0.00 23.12 18.73 2gqb s ALA 32 CO 0.68 -4.14 0.36 0.41 0.00 0.00 0.00 175.76 173.07 2gqb n GLY 33 N 6.87 -0.61 3.52 0.00 0.00 -1.26 -4.85 105.19 108.86 2gqb n GLY 33 Ca 0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 2gqb n GLY 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gqb s THR 34 N -0.03 4.20 -0.29 2.61 -4.23 -1.26 -4.88 115.64 111.75 2gqb s THR 34 Ca 0.00 -0.95 -0.23 0.00 -1.18 0.00 0.00 61.69 59.33 2gqb s THR 34 Cb 0.00 -4.94 0.16 0.00 1.34 0.00 0.00 72.50 69.06 2gqb s THR 34 CO 0.00 -1.77 1.21 0.00 -0.54 0.00 0.00 174.62 173.52 2gqb s ALA 35 N 4.20 -2.19 0.50 3.99 0.00 -1.26 -5.16 121.76 121.84 2gqb s ALA 35 Ca 0.40 1.86 -0.23 0.00 0.00 0.00 0.00 51.96 53.99 2gqb s ALA 35 Cb -0.03 -1.67 -0.06 0.00 0.00 0.00 0.00 23.12 21.35 2gqb s ALA 35 CO -0.08 -0.21 1.35 -2.14 0.00 0.00 0.00 175.76 174.69 2gqb s PRO 36 N 0.41 3.44 -0.63 0.00 0.02 -1.26 -4.99 135.00 131.99 2gqb s PRO 36 Ca 0.02 2.23 0.05 0.00 0.02 0.00 0.00 61.00 63.31 2gqb s PRO 36 Cb -0.04 -2.43 0.19 0.00 0.02 0.00 0.00 34.50 32.23 2gqb s PRO 36 CO -0.12 -0.95 0.52 0.25 -0.33 0.00 0.00 177.00 176.37 2gqb n THR 37 N -0.63 1.14 -3.57 0.99 -2.24 -1.26 -4.96 114.28 103.75 2gqb n THR 37 Ca 0.08 -4.63 -0.27 0.00 -2.27 0.00 0.00 64.05 56.96 2gqb n THR 37 Cb 0.44 -2.06 -0.10 0.00 -2.10 0.00 0.00 70.33 66.51 2gqb n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gqb n ALA 38 N 1.88 3.15 -2.53 6.98 0.00 -1.26 -5.07 120.51 123.66 2gqb n ALA 38 Ca 0.24 -3.84 -0.41 0.00 0.00 0.00 0.00 53.44 49.43 2gqb n ALA 38 Cb 0.39 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 2gqb n ALA 38 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2gqb s PRO 39 N -0.90 3.27 -0.16 0.00 0.02 -1.26 -4.99 135.00 130.98 2gqb s PRO 39 Ca 0.31 -0.46 -0.21 0.00 0.02 0.00 0.00 61.00 60.66 2gqb s PRO 39 Cb 0.03 -4.54 -0.03 0.00 0.02 0.00 0.00 34.50 29.98 2gqb s PRO 39 CO -0.16 -2.21 0.61 1.14 -0.33 0.00 0.00 177.00 176.05 2gqb s GLN 40 N 5.59 4.28 0.39 5.54 -2.07 -1.26 -5.03 119.66 127.10 2gqb s GLN 40 Ca 0.40 0.63 -0.26 0.00 -1.82 0.00 0.00 55.36 54.30 2gqb s GLN 40 Cb -0.06 -3.53 -0.11 0.00 -1.09 0.00 0.00 33.01 28.23 2gqb s GLN 40 CO 0.08 -0.11 1.27 -2.30 -1.32 0.00 0.00 175.29 172.91 2gqb n PRO 41 N 4.55 1.99 -3.31 9.60 -0.02 -1.26 -4.96 135.00 141.59 2gqb n PRO 41 Ca -0.03 0.70 -0.44 0.00 -2.02 0.00 0.00 63.50 61.72 2gqb n PRO 41 Cb 0.50 -2.35 -0.08 0.00 -0.02 0.00 0.00 33.50 31.55 2gqb n PRO 41 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2gqb s THR 42 N -1.16 5.09 0.66 3.45 2.01 -1.26 -5.06 115.64 119.36 2gqb s THR 42 Ca 0.59 -0.73 -0.11 0.00 0.31 0.00 0.00 61.69 61.75 2gqb s THR 42 Cb -0.53 -4.15 -0.02 0.00 0.01 0.00 0.00 72.50 67.81 2gqb s THR 42 CO 0.60 -0.61 1.05 0.00 -0.69 0.00 0.00 174.62 174.96 2gqb s ALA 43 N 2.05 2.91 -0.42 7.40 0.00 -1.26 -5.06 121.76 127.38 2gqb s ALA 43 Ca 0.09 -0.02 0.05 0.00 0.00 0.00 0.00 51.96 52.08 2gqb s ALA 43 Cb -0.21 -3.12 0.17 0.00 0.00 0.00 0.00 23.12 19.96 2gqb s ALA 43 CO 0.10 -0.94 0.51 0.00 0.00 0.00 0.00 175.76 175.43 2gqb s ALA 44 N -3.13 -1.07 -0.62 0.00 0.00 -1.26 -4.95 121.76 110.74 2gqb s ALA 44 Ca 0.56 -0.74 0.25 0.00 0.00 0.00 0.00 51.96 52.04 2gqb s ALA 44 Cb -0.12 -2.32 0.86 0.00 0.00 0.00 0.00 23.12 21.54 2gqb s ALA 44 CO 0.54 -2.17 1.76 -1.00 0.00 0.00 0.00 175.76 174.89 2gqb h PRO 45 N 6.43 0.00 -5.39 0.00 0.13 -1.97 -3.42 132.00 127.79 2gqb h PRO 45 Ca 0.08 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.55 2gqb h PRO 45 Cb 1.08 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.94 2gqb h PRO 45 CO 0.15 0.00 -0.78 0.45 -0.23 0.00 0.00 178.00 177.59 2gqb s SER 46 N -4.54 3.88 -0.53 1.44 0.15 -1.26 -4.90 113.70 107.93 2gqb s SER 46 Ca 0.08 -0.35 -0.10 0.00 0.70 0.00 0.00 55.95 56.28 2gqb s SER 46 Cb 0.11 -1.53 0.14 0.00 -1.71 0.00 0.00 66.02 63.03 2gqb s SER 46 CO 0.53 0.18 0.42 -0.63 1.20 0.00 0.00 173.24 174.94 2gqb s ILE 47 N 0.28 4.45 -0.54 6.45 -1.09 -0.33 -4.93 121.20 125.49 2gqb s ILE 47 Ca -0.11 -1.93 -0.28 0.00 -2.23 0.00 0.00 60.65 56.11 2gqb s ILE 47 Cb -0.16 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 36.83 2gqb s ILE 47 CO 0.06 -0.83 1.57 -0.62 -1.23 0.00 0.00 174.94 173.89 2gqb s ASP 48 N 2.57 5.90 0.46 3.58 -1.08 -1.26 0.10 116.67 126.95 2gqb s ASP 48 Ca 0.08 0.43 0.25 0.00 -0.52 0.00 0.00 52.55 52.79 2gqb s ASP 48 Cb -0.25 -2.54 0.62 0.00 -1.46 0.00 0.00 42.92 39.30 2gqb s ASP 48 CO -0.01 -1.86 1.71 0.58 0.52 0.00 0.00 175.17 176.10 2gqb h VAL 49 N 6.54 0.07 0.55 1.11 2.07 -1.30 -3.34 116.25 121.96 2gqb h VAL 49 Ca -0.28 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 2gqb h VAL 49 Cb 1.12 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 2gqb h VAL 49 CO 1.17 0.04 -0.41 0.00 0.02 0.00 0.00 177.57 178.39 2gqb h ALA 50 N 1.96 -0.97 0.00 1.67 0.00 -1.89 -0.54 119.26 119.50 2gqb h ALA 50 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2gqb h ALA 50 Cb 0.88 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2gqb h ALA 50 CO 0.01 -1.07 0.00 -0.35 0.00 0.00 0.00 179.25 177.83 2gqb n PRO 51 N -5.52 0.80 -0.08 0.00 -0.04 -1.25 -1.71 135.00 127.19 2gqb n PRO 51 Ca -0.12 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.19 2gqb n PRO 51 Cb 0.42 -1.21 -0.05 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.19 1.22 0.08 0.52 5.41 -0.66 -4.56 119.36 121.19 2gqb n ILE 52 Ca 0.00 -0.06 -0.19 0.00 1.00 0.00 0.00 62.75 63.50 2gqb n ILE 52 Cb 0.10 -1.92 -0.11 0.00 -0.71 0.00 0.00 39.64 37.01 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 -0.70 0.76 -1.85 1.39 3.38 -1.02 -0.40 115.31 116.87 2gqb h LEU 53 Ca -0.28 -0.68 0.09 0.00 0.09 0.00 0.00 57.88 57.09 2gqb h LEU 53 Cb 1.12 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 2gqb h LEU 53 CO -0.17 1.49 0.29 0.44 0.09 0.00 0.00 178.44 180.58 2gqb h ASP 54 N 0.26 0.16 0.13 -0.43 3.32 -1.55 0.25 116.42 118.56 2gqb h ASP 54 Ca -0.15 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.55 2gqb h ASP 54 Cb 1.83 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 41.33 2gqb h ASP 54 CO 0.21 0.10 -1.86 0.11 -1.72 0.00 0.00 179.24 176.08 2gqb h LYS 55 N 0.18 0.28 -0.60 3.56 1.79 -1.76 -3.33 116.57 116.69 2gqb h LYS 55 Ca 0.19 -0.48 -0.02 0.00 -2.18 0.00 0.00 60.65 58.16 2gqb h LYS 55 Cb 0.53 0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 31.32 2gqb h LYS 55 CO -0.03 1.23 0.28 0.00 -1.08 0.00 0.00 179.45 179.84 2gqb h ALA 56 N 0.04 1.36 -0.28 3.86 0.00 -0.50 -0.68 119.26 123.06 2gqb h ALA 56 Ca -0.40 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.41 2gqb h ALA 56 Cb 1.99 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.51 2gqb h ALA 56 CO 0.09 0.49 0.11 0.28 0.00 0.00 0.00 179.25 180.22 2gqb h VAL 57 N 0.84 0.94 0.00 0.00 2.07 -0.66 -0.01 116.25 119.44 2gqb h VAL 57 Ca 0.21 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.65 2gqb h VAL 57 Cb 0.11 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2gqb h VAL 57 CO -0.03 0.04 -0.16 2.29 0.02 0.00 0.00 177.57 179.74 2gqb n LYS 58 N -5.01 0.07 0.08 1.57 2.85 -1.04 -2.34 118.16 114.33 2gqb n LYS 58 Ca -0.01 0.04 -0.09 0.00 -1.05 0.00 0.00 58.31 57.20 2gqb n LYS 58 Cb 0.09 -1.56 -0.03 0.00 -0.65 0.00 0.00 35.03 32.88 2gqb n LYS 58 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2gqb h ALA 59 N 2.88 0.46 -0.46 0.58 0.00 -0.46 -3.23 119.26 119.04 2gqb h ALA 59 Ca 0.00 -0.75 -0.00 0.00 0.00 0.00 0.00 54.91 54.16 2gqb h ALA 59 Cb 0.56 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2gqb h ALA 59 CO 0.00 0.93 0.26 -0.22 0.00 0.00 0.00 179.25 180.23 2gqb h LYS 60 N 0.11 0.62 0.00 0.00 1.63 -0.62 -3.48 116.57 114.83 2gqb h LYS 60 Ca -0.05 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 2gqb h LYS 60 Cb 1.56 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 33.06 2gqb h LYS 60 CO 0.14 0.47 0.00 0.41 -3.45 0.00 0.00 179.45 177.02 2gqb n GLY 61 N -1.06 3.89 3.79 5.01 0.00 -1.16 -5.12 105.19 110.53 2gqb n GLY 61 Ca 0.01 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 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 2.91 -0.15 1.61 -1.05 -1.26 -4.93 118.70 115.83 2gqb s GLU 62 Ca 0.00 -0.77 -0.29 0.00 -0.15 0.00 0.00 54.97 53.76 2gqb s GLU 62 Cb 0.00 -2.69 -0.01 0.00 -0.44 0.00 0.00 34.13 30.99 2gqb s GLU 62 CO 0.00 0.53 0.99 0.21 0.95 0.00 0.00 175.26 177.93 2gqb s LYS 63 N -2.76 4.36 0.41 -4.83 2.36 -1.26 -4.41 119.74 113.61 2gqb s LYS 63 Ca 0.30 1.32 0.04 0.00 -2.55 0.00 0.00 55.97 55.09 2gqb s LYS 63 Cb -0.11 -3.57 -0.05 0.00 -1.05 0.00 0.00 37.83 33.04 2gqb s LYS 63 CO 0.23 -0.40 0.04 -0.51 1.55 0.00 0.00 175.35 176.25 2gqb s LEU 64 N 2.36 2.45 -0.53 5.43 1.43 -1.26 -5.11 118.68 123.44 2gqb s LEU 64 Ca 0.45 -1.47 0.04 0.00 -1.03 0.00 0.00 54.13 52.12 2gqb s LEU 64 Cb -0.17 -0.62 0.14 0.00 0.03 0.00 0.00 46.19 45.57 2gqb s LEU 64 CO 0.14 -0.64 0.31 -1.61 0.23 0.00 0.00 176.35 174.78 2gqb s GLU 65 N -3.80 1.80 0.36 1.70 0.41 -1.26 -4.92 118.70 113.00 2gqb s GLU 65 Ca 0.28 -2.55 0.27 0.00 -0.41 0.00 0.00 54.97 52.56 2gqb s GLU 65 Cb 0.07 -2.92 1.05 0.00 -1.78 0.00 0.00 34.13 30.55 2gqb s GLU 65 CO 0.14 -1.18 1.80 0.11 -0.49 0.00 0.00 175.26 175.64 2gqb h TRP 66 N 6.28 0.00 0.00 1.61 5.08 -1.90 -0.14 115.95 126.89 2gqb h TRP 66 Ca 0.01 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.93 2gqb h TRP 66 Cb 0.87 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.03 2gqb h TRP 66 CO 0.53 0.00 -0.25 0.00 -1.28 0.00 0.00 178.44 177.44 2gqb h ARG 67 N 0.00 0.00 0.00 0.12 3.08 -2.01 -3.35 114.38 112.22 2gqb h ARG 67 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2gqb h ARG 67 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2gqb h ARG 67 CO 0.00 0.25 -0.81 0.25 -1.07 0.00 0.00 179.97 178.59 2gqb n THR 68 N -4.17 0.00 -3.31 2.04 -2.24 -1.14 -4.89 114.28 100.57 2gqb n THR 68 Ca -0.02 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.38 2gqb n THR 68 Cb 0.31 -0.42 -0.07 0.00 -2.10 0.00 0.00 70.33 68.05 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 -3.76 6.59 0.12 3.42 0.01 -0.08 -4.88 113.70 115.13 2gqb s SER 69 Ca 0.00 0.70 0.02 0.00 1.31 0.00 0.00 55.95 57.98 2gqb s SER 69 Cb 0.00 -2.28 -0.16 0.00 0.21 0.00 0.00 66.02 63.80 2gqb s SER 69 CO 0.00 -0.08 1.27 -0.29 0.41 0.00 0.00 173.24 174.56 2gqb h ILE 70 N 4.92 1.57 0.00 1.44 6.09 -1.85 -3.22 117.51 126.46 2gqb h ILE 70 Ca -0.37 -3.02 -0.08 0.00 -1.37 0.00 0.00 64.86 60.02 2gqb h ILE 70 Cb 1.17 2.74 -0.01 0.00 0.47 0.00 0.00 36.82 41.19 2gqb h ILE 70 CO 0.74 0.87 -0.37 0.58 -3.07 0.00 0.00 178.15 176.90 2gqb h VAL 71 N 0.06 1.03 -0.13 2.19 2.07 -1.92 -2.71 116.25 116.84 2gqb h VAL 71 Ca -0.06 -1.39 -0.07 0.00 0.82 0.00 0.00 66.70 66.00 2gqb h VAL 71 Cb 1.74 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 33.31 2gqb h VAL 71 CO 0.16 0.37 -0.17 0.44 0.02 0.00 0.00 177.57 178.38 2gqb h ASP 72 N 0.00 0.38 0.54 0.57 5.19 -1.86 -1.20 116.42 120.04 2gqb h ASP 72 Ca -0.00 -0.51 -0.11 0.00 -0.62 0.00 0.00 57.03 55.78 2gqb h ASP 72 Cb 0.78 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.16 2gqb h ASP 72 CO 0.05 0.82 -0.53 0.17 -3.12 0.00 0.00 179.24 176.63 2gqb h LEU 73 N -0.05 0.00 0.19 1.55 8.10 -1.61 -1.51 115.31 121.99 2gqb h LEU 73 Ca 0.02 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.00 2gqb h LEU 73 Cb 0.73 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.95 2gqb h LEU 73 CO 0.04 0.53 -0.09 -0.03 -4.11 0.00 0.00 178.44 174.78 2gqb h MET 74 N 0.00 -0.25 0.00 0.17 4.05 -1.39 -2.82 114.93 114.69 2gqb h MET 74 Ca -0.01 0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.39 2gqb h MET 74 Cb 0.94 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.79 2gqb h MET 74 CO 0.07 0.02 -0.20 1.57 0.23 0.00 0.00 176.91 178.60 2gqb h LYS 75 N -0.51 0.00 -0.43 0.39 2.10 -1.15 -2.49 116.57 114.48 2gqb h LYS 75 Ca -0.03 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.60 2gqb h LYS 75 Cb 0.38 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.70 2gqb h LYS 75 CO 0.04 0.20 0.19 0.00 -2.00 0.00 0.00 179.45 177.88 2gqb h ALA 76 N 1.80 0.55 0.00 0.07 0.00 -1.08 0.20 119.26 120.80 2gqb h ALA 76 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2gqb h ALA 76 Cb 0.38 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2gqb h ALA 76 CO 0.03 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.69 2gqb n LEU 77 N -4.65 0.00 -2.04 0.00 7.99 -1.08 -4.62 117.00 112.60 2gqb n LEU 77 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 56.00 2gqb n LEU 77 Cb 0.13 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.44 2gqb n LEU 77 CO 0.37 0.00 0.09 -0.67 -1.51 0.00 0.00 177.39 175.67 2gqb n ASP 78 N -0.93 -4.11 -4.57 -1.43 2.03 0.70 -5.04 116.55 103.20 2gqb n ASP 78 Ca 0.15 0.04 -0.30 0.00 0.52 0.00 0.00 54.79 55.20 2gqb n ASP 78 Cb 0.07 -2.57 -0.10 0.00 -0.72 0.00 0.00 41.12 37.80 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 -2.58 3.34 0.22 5.18 -1.09 -0.95 -4.98 121.20 120.33 2gqb s ILE 79 Ca 0.03 -1.24 -0.16 0.00 -2.23 0.00 0.00 60.65 57.04 2gqb s ILE 79 Cb -0.01 -2.54 0.24 0.00 -1.58 0.00 0.00 42.46 38.57 2gqb s ILE 79 CO 0.27 0.14 1.57 0.44 -1.23 0.00 0.00 174.94 176.14 2gqb h ASP 80 N 3.72 -1.14 0.00 3.58 5.19 -1.95 -3.41 116.42 122.42 2gqb h ASP 80 Ca -0.49 0.27 0.00 0.00 -0.62 0.00 0.00 57.03 56.19 2gqb h ASP 80 Cb 1.17 0.62 0.00 0.00 0.18 0.00 0.00 39.33 41.30 2gqb h ASP 80 CO 0.52 -0.29 0.00 -1.20 -3.12 0.00 0.00 179.24 175.15 2gqb n SER 81 N -5.49 -0.39 -3.01 6.45 7.64 -1.26 -4.97 113.62 112.59 2gqb n SER 81 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2gqb n SER 81 Cb 0.40 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 2gqb n SER 81 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2gqb n SER 82 N -0.04 0.00 0.15 6.43 7.64 -1.26 -4.66 113.62 121.87 2gqb n SER 82 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 2gqb n SER 82 Cb 0.02 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.14 2gqb n SER 82 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2gqb h LEU 83 N 0.00 -0.31 -0.89 -3.43 7.12 -1.99 -2.34 115.31 113.47 2gqb h LEU 83 Ca 0.00 -0.16 0.01 0.00 0.13 0.00 0.00 57.88 57.86 2gqb h LEU 83 Cb 0.00 0.08 -0.05 0.00 -0.53 0.00 0.00 40.66 40.16 2gqb h LEU 83 CO 0.00 -0.00 0.59 0.28 -0.13 0.00 0.00 178.44 179.17 2gqb h SER 84 N -0.64 1.01 -0.04 1.25 0.02 -1.99 -0.83 113.55 112.33 2gqb h SER 84 Ca -0.04 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 2gqb h SER 84 Cb 0.45 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 2gqb h SER 84 CO 0.06 0.72 0.00 0.00 -1.14 0.00 0.00 176.83 176.47 2gqb h ALA 85 N 1.33 0.05 0.00 3.77 0.00 -1.90 -1.41 119.26 121.09 2gqb h ALA 85 Ca 0.33 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2gqb h ALA 85 Cb -0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2gqb h ALA 85 CO -0.08 -0.29 -0.14 0.07 0.00 0.00 0.00 179.25 178.81 2gqb h ARG 86 N -0.23 0.00 0.01 0.00 0.11 -1.18 -2.31 114.38 110.78 2gqb h ARG 86 Ca 0.01 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.04 2gqb h ARG 86 Cb 0.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.41 2gqb h ARG 86 CO 0.00 0.14 -0.22 -0.22 0.10 0.00 0.00 179.97 179.77 2gqb h LYS 87 N 0.00 0.13 -0.12 0.08 1.63 -0.92 -3.03 116.57 114.34 2gqb h LYS 87 Ca -0.00 -0.15 -0.03 0.00 -0.85 0.00 0.00 60.65 59.62 2gqb h LYS 87 Cb 0.46 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.13 2gqb h LYS 87 CO 0.02 0.94 -0.03 1.05 -3.45 0.00 0.00 179.45 177.98 2gqb h GLU 88 N -0.62 0.24 -0.49 1.90 4.11 -1.07 -1.20 114.58 117.45 2gqb h GLU 88 Ca -0.03 -0.09 0.04 0.00 0.07 0.00 0.00 59.36 59.35 2gqb h GLU 88 Cb 1.03 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.22 2gqb h GLU 88 CO 0.04 0.53 0.26 1.25 0.07 0.00 0.00 179.01 181.16 2gqb h LEU 89 N -0.07 0.38 -0.32 3.06 5.85 -1.57 -1.35 115.31 121.29 2gqb h LEU 89 Ca 0.03 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 2gqb h LEU 89 Cb 0.44 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2gqb h LEU 89 CO 0.01 0.27 -0.04 0.00 -0.34 0.00 0.00 178.44 178.34 2gqb h ALA 90 N 1.26 0.44 0.00 1.25 0.00 -1.47 -3.02 119.26 117.71 2gqb h ALA 90 Ca 0.21 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2gqb h ALA 90 Cb 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2gqb h ALA 90 CO -0.14 0.23 -0.36 1.57 0.00 0.00 0.00 179.25 180.56 2gqb h LYS 91 N 0.38 0.00 0.00 0.00 2.10 -0.92 0.36 116.57 118.49 2gqb h LYS 91 Ca 0.09 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.66 2gqb h LYS 91 Cb 0.51 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.83 2gqb h LYS 91 CO 0.02 0.36 -0.36 0.93 -2.00 0.00 0.00 179.45 178.40 2gqb h GLU 92 N 0.00 0.00 0.00 0.07 4.39 -1.20 -3.05 114.58 114.79 2gqb h GLU 92 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 2gqb h GLU 92 Cb 0.89 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 2gqb h GLU 92 CO 0.05 0.36 -1.31 1.28 -1.16 0.00 0.00 179.01 178.23 2gqb n LEU 93 N -3.69 0.67 0.00 1.33 4.77 -0.65 -4.97 117.00 114.46 2gqb n LEU 93 Ca -0.01 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2gqb n LEU 93 Cb 0.46 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2gqb n LEU 93 CO 0.37 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2gqb n GLY 94 N 1.25 2.69 1.11 -0.72 0.00 -0.03 -5.08 105.19 104.42 2gqb n GLY 94 Ca -0.04 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.39 -3.63 1.61 9.36 0.11 -4.81 117.16 117.41 2gqb n TYR 95 Ca 0.00 1.36 -0.27 0.00 3.32 0.00 0.00 57.90 62.31 2gqb n TYR 95 Cb 0.00 -2.72 -0.17 0.00 -0.63 0.00 0.00 39.34 35.83 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 -0.78 2.70 -0.39 2.98 0.15 -1.26 -5.00 113.70 112.11 2gqb s SER 96 Ca 0.00 -0.79 0.11 0.00 0.70 0.00 0.00 55.95 55.97 2gqb s SER 96 Cb 0.00 -0.36 0.36 0.00 -1.71 0.00 0.00 66.02 64.31 2gqb s SER 96 CO 0.00 -0.35 0.90 0.61 1.20 0.00 0.00 173.24 175.60 2gqb n GLY 97 N 5.21 2.41 0.00 9.45 0.00 -1.26 -4.87 105.19 116.13 2gqb n GLY 97 Ca -0.07 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 0.19 0.00 -0.27 1.61 2.03 -1.26 -4.89 116.55 113.96 2gqb n ASP 98 Ca 0.16 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.52 2gqb n ASP 98 Cb 0.71 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 41.12 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 -0.33 1.37 0.22 -0.67 0.00 -1.26 -4.62 117.12 111.82 2gqb n MET 99 Ca 0.00 -0.77 0.07 0.00 0.00 0.00 0.00 57.70 57.00 2gqb n MET 99 Cb 0.00 -1.10 0.51 0.00 0.00 0.00 0.00 33.22 32.63 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 1.34 0.00 0.00 3.17 -1.07 -1.90 -3.48 115.58 113.63 2gqb h ASN 100 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2gqb h ASN 100 Cb 0.34 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.59 2gqb h ASN 100 CO 0.00 0.25 0.00 -0.67 0.07 0.00 0.00 177.43 177.08 2gqb n ASP 101 N -3.87 -1.82 0.18 6.14 2.03 -1.26 -2.25 116.55 115.69 2gqb n ASP 101 Ca -0.02 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.42 2gqb n ASP 101 Cb 0.33 0.00 0.34 0.00 -0.72 0.00 0.00 41.12 41.08 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 1.29 0.00 0.65 1.67 0.02 -1.97 -2.99 113.55 112.22 2gqb h SER 102 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2gqb h SER 102 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2gqb h SER 102 CO 0.00 0.00 -0.41 0.00 -1.14 0.00 0.00 176.83 175.28 2gqb h ALA 103 N 2.21 -1.21 0.00 3.77 0.00 -1.94 -1.63 119.26 120.46 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 0.80 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2gqb h ALA 103 CO 0.00 -1.17 -0.01 0.77 0.00 0.00 0.00 179.25 178.83 2gqb h SER 104 N -1.00 0.00 -0.50 0.00 0.02 -1.58 -3.29 113.55 107.20 2gqb h SER 104 Ca -0.09 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.80 2gqb h SER 104 Cb 0.80 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 2gqb h SER 104 CO 0.08 0.00 0.09 -0.03 -1.14 0.00 0.00 176.83 175.83 2gqb h MET 105 N 0.00 0.82 -0.74 3.45 -1.53 -1.31 -0.40 114.93 115.22 2gqb h MET 105 Ca 0.00 -0.21 -0.02 0.00 -3.44 0.00 0.00 59.70 56.02 2gqb h MET 105 Cb 0.80 -0.10 -0.03 0.00 -0.55 0.00 0.00 31.60 31.72 2gqb h MET 105 CO 0.00 0.81 0.37 -0.97 0.14 0.00 0.00 176.91 177.26 2gqb h ASN 106 N 0.70 0.95 0.32 1.39 -1.24 -1.37 -2.25 115.58 114.08 2gqb h ASN 106 Ca 0.15 -0.12 -0.02 0.00 0.71 0.00 0.00 56.30 57.03 2gqb h ASN 106 Cb 0.38 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.19 2gqb h ASN 106 CO 0.01 0.80 -0.15 0.40 -1.29 0.00 0.00 177.43 177.20 2gqb h ILE 107 N 1.03 0.00 -0.69 2.57 2.04 -1.60 -2.40 117.51 118.46 2gqb h ILE 107 Ca 0.26 -0.16 0.07 0.00 1.00 0.00 0.00 64.86 66.02 2gqb h ILE 107 Cb 0.09 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.11 2gqb h ILE 107 CO -0.04 0.00 0.38 -0.25 0.00 0.00 0.00 178.15 178.25 2gqb h TRP 108 N -0.59 0.70 -0.59 1.37 7.01 -1.16 -1.96 115.95 120.72 2gqb h TRP 108 Ca -0.04 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.89 2gqb h TRP 108 Cb 0.33 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.16 2gqb h TRP 108 CO 0.08 0.32 0.02 1.25 -2.79 0.00 0.00 178.44 177.32 2gqb h LEU 109 N 0.69 1.01 -1.29 0.65 5.85 -1.51 -2.17 115.31 118.54 2gqb h LEU 109 Ca 0.31 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2gqb h LEU 109 Cb 0.22 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 2gqb h LEU 109 CO -0.20 1.06 0.29 -0.74 -0.34 0.00 0.00 178.44 178.52 2gqb h HIS 110 N 0.93 0.76 0.42 1.25 2.76 -0.83 -1.08 115.15 119.36 2gqb h HIS 110 Ca 0.17 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.31 2gqb h HIS 110 Cb 0.53 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.25 2gqb h HIS 110 CO 0.04 0.55 -0.20 0.87 -1.30 0.00 0.00 177.93 177.88 2gqb h LYS 111 N 0.78 -0.55 -0.53 5.26 1.79 -0.97 -2.99 116.57 119.36 2gqb h LYS 111 Ca 0.20 0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.67 2gqb h LYS 111 Cb 0.05 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 2gqb h LYS 111 CO -0.03 -0.24 0.20 1.96 -1.08 0.00 0.00 179.45 180.26 2gqb h GLN 112 N -0.88 0.79 -0.84 3.15 7.50 -1.22 -2.61 115.11 121.00 2gqb h GLN 112 Ca -0.06 -0.15 0.03 0.00 0.50 0.00 0.00 58.65 58.97 2gqb h GLN 112 Cb 0.56 -0.13 -0.05 0.00 0.05 0.00 0.00 27.48 27.91 2gqb h GLN 112 CO 0.10 0.70 0.54 0.28 -1.50 0.00 0.00 178.83 178.95 2gqb h VAL 113 N 0.71 1.14 -0.50 -0.54 2.07 -1.29 -2.16 116.25 115.68 2gqb h VAL 113 Ca 0.17 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 2gqb h VAL 113 Cb 0.21 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 2gqb h VAL 113 CO -0.01 0.19 0.04 0.24 0.02 0.00 0.00 177.57 178.05 2gqb h MET 114 N 1.06 0.81 0.00 1.57 2.86 -1.32 -1.00 114.93 118.91 2gqb h MET 114 Ca 0.34 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 2gqb h MET 114 Cb 0.00 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.55 2gqb h MET 114 CO -0.11 0.79 -0.11 1.03 1.06 0.00 0.00 176.91 179.56 2gqb h SER 115 N 0.77 0.00 0.22 1.22 0.87 -1.04 -0.16 113.55 115.43 2gqb h SER 115 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2gqb h SER 115 Cb 0.40 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2gqb h SER 115 CO 0.01 0.11 -0.94 0.29 -0.53 0.00 0.00 176.83 175.78 2gqb n LYS 116 N -3.66 0.10 -0.05 2.24 4.76 -0.73 -4.23 118.16 116.59 2gqb n LYS 116 Ca -0.02 -0.01 -0.05 0.00 -2.87 0.00 0.00 58.31 55.36 2gqb n LYS 116 Cb 0.23 -1.52 -0.02 0.00 -1.84 0.00 0.00 35.03 31.88 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 -1.65 1.12 0.00 -0.35 7.94 -0.35 -4.56 117.00 119.14 2gqb n LEU 117 Ca 0.03 0.19 0.13 0.00 -1.11 0.00 0.00 56.01 55.25 2gqb n LEU 117 Cb 0.37 -0.62 0.64 0.00 0.53 0.00 0.00 43.42 44.34 2gqb n LEU 117 CO 0.41 -0.38 0.94 1.33 -1.11 0.00 0.00 177.39 178.58 2gqb n VAL 118 N -3.62 0.16 0.31 1.96 0.24 -0.22 -2.47 118.33 114.69 2gqb n VAL 118 Ca -0.08 0.04 0.16 0.00 -2.04 0.00 0.00 64.34 62.42 2gqb n VAL 118 Cb 0.29 -0.60 0.62 0.00 -1.47 0.00 0.00 33.84 32.68 2gqb n VAL 118 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gqb h ALA 119 N 3.16 1.00 -0.12 2.33 0.00 -1.74 -0.51 119.26 123.38 2gqb h ALA 119 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2gqb h ALA 119 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2gqb h ALA 119 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 2gqb n ASN 120 N -2.87 1.30 0.00 0.00 3.02 -1.03 -4.71 115.26 110.96 2gqb n ASN 120 Ca 0.01 -2.09 0.00 0.00 -0.03 0.00 0.00 54.58 52.48 2gqb n ASN 120 Cb 0.30 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 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 0.40 0.96 3.74 7.41 0.00 -1.09 -5.00 105.19 111.61 2gqb n GLY 121 Ca 0.05 0.00 -0.41 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 -0.97 2.34 -0.17 -0.02 0.00 -0.22 -1.19 107.32 107.09 2gqb s GLY 122 Ca 0.00 1.16 -0.05 0.00 0.00 0.00 0.00 44.72 45.83 2gqb s GLY 122 CO 0.00 2.16 -0.01 1.25 0.00 0.00 0.00 173.10 176.50 2gqb s LYS 123 N 0.02 3.72 0.13 2.90 2.36 0.28 -4.70 119.74 124.46 2gqb s LYS 123 Ca 0.59 -0.48 0.07 0.00 -2.55 0.00 0.00 55.97 53.59 2gqb s LYS 123 Cb -0.38 -3.01 -0.04 0.00 -1.05 0.00 0.00 37.83 33.35 2gqb s LYS 123 CO 0.38 0.20 -0.04 -0.48 1.55 0.00 0.00 175.35 176.96 2gqb s LEU 124 N 0.50 3.24 0.78 5.43 -0.00 -1.26 -0.72 118.68 126.64 2gqb s LEU 124 Ca -0.02 -0.35 -0.14 0.00 -0.00 0.00 0.00 54.13 53.62 2gqb s LEU 124 Cb -0.14 -1.96 0.07 0.00 -0.00 0.00 0.00 46.19 44.15 2gqb s LEU 124 CO 0.02 0.14 1.21 -2.16 -0.00 0.00 0.00 176.35 175.57 2gqb s PRO 125 N -2.55 1.81 0.00 1.48 0.04 -1.26 -4.88 135.00 129.64 2gqb s PRO 125 Ca 0.25 1.79 0.02 0.00 0.04 0.00 0.00 61.00 63.10 2gqb s PRO 125 Cb -0.10 -1.79 0.10 0.00 0.04 0.00 0.00 34.50 32.74 2gqb s PRO 125 CO 0.17 -2.09 0.91 -2.30 0.04 0.00 0.00 177.00 173.72 2gqb n PRO 126 N -3.07 0.02 0.00 0.56 -0.02 -1.26 -1.09 135.00 130.15 2gqb n PRO 126 Ca 0.14 0.30 0.06 0.00 -2.02 0.00 0.00 63.50 61.98 2gqb n PRO 126 Cb 0.50 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.46 2gqb n PRO 126 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2gqb n GLU 127 N -1.33 2.15 -3.21 -0.52 0.00 -1.26 -4.81 120.64 111.67 2gqb n GLU 127 Ca 0.01 -0.52 -0.45 0.00 0.00 0.00 0.00 57.16 56.20 2gqb n GLU 127 Cb 0.02 -1.15 -0.05 0.00 0.00 0.00 0.00 31.44 30.25 2gqb n GLU 127 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2gqb s ILE 128 N -1.77 5.00 -0.36 3.84 1.09 -0.25 -4.94 121.20 123.81 2gqb s ILE 128 Ca 0.09 -1.13 0.05 0.00 -1.10 0.00 0.00 60.65 58.57 2gqb s ILE 128 Cb 0.10 -4.38 0.17 0.00 -1.06 0.00 0.00 42.46 37.29 2gqb s ILE 128 CO 0.38 -0.95 0.52 -0.75 -0.10 0.00 0.00 174.94 174.04 2gqb s LYS 129 N 2.20 0.67 0.00 2.79 2.47 -1.26 -4.73 119.74 121.87 2gqb s LYS 129 Ca 0.08 -0.24 0.00 0.00 -1.56 0.00 0.00 55.97 54.25 2gqb s LYS 129 Cb -0.26 -0.16 0.00 0.00 -1.46 0.00 0.00 37.83 35.95 2gqb s LYS 129 CO 0.06 -1.15 0.00 1.58 0.16 0.00 0.00 175.35 176.00