#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 -0.72 0.19 6.12 7.64 -1.26 -4.85 113.62 120.74 2gqb n SER 2 Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.95 2gqb n SER 2 Cb 0.00 -0.36 0.30 0.00 -1.01 0.00 0.00 64.21 63.14 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 0.67 0.00 0.44 2.04 -1.90 -1.67 117.51 117.10 2gqb h ILE 3 Ca 0.00 -1.50 -0.03 0.00 1.00 0.00 0.00 64.86 64.33 2gqb h ILE 3 Cb 0.00 2.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.07 2gqb h ILE 3 CO 0.00 0.31 -0.13 2.19 0.00 0.00 0.00 178.15 180.52 2gqb h PHE 4 N 0.00 0.00 0.00 1.37 -5.15 -1.94 0.36 116.94 111.58 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 0.97 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.14 2gqb h PHE 4 CO 0.00 0.13 -0.50 0.78 -2.00 0.00 0.00 178.31 176.73 2gqb h GLY 5 N 0.83 0.00 0.02 6.09 0.00 -1.66 -3.07 103.07 105.28 2gqb h GLY 5 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2gqb h GLY 5 CO 0.02 0.00 -0.03 0.50 0.00 0.00 0.00 176.54 177.03 2gqb h LYS 6 N 0.00 0.01 0.00 4.80 1.57 -0.32 -3.37 116.57 119.26 2gqb h LYS 6 Ca 0.00 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 2gqb h LYS 6 Cb 0.93 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 2gqb h LYS 6 CO 0.00 1.01 -0.42 -0.84 -0.57 0.00 0.00 179.45 178.63 2gqb h ILE 7 N -0.98 1.28 0.00 1.86 3.07 -0.50 -2.52 117.51 119.72 2gqb h ILE 7 Ca -0.01 -1.44 0.00 0.00 1.55 0.00 0.00 64.86 64.97 2gqb h ILE 7 Cb 1.02 1.78 0.00 0.00 -0.27 0.00 0.00 36.82 39.35 2gqb h ILE 7 CO 0.00 0.41 0.00 0.00 -1.05 0.00 0.00 178.15 177.51 2gqb h MET 8 N 0.00 0.00 0.00 0.16 -0.00 -1.69 -1.31 114.93 112.09 2gqb h MET 8 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 59.58 2gqb h MET 8 Cb 0.75 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.33 2gqb h MET 8 CO 0.05 0.00 -0.53 1.03 -0.00 0.00 0.00 176.91 177.46 2gqb h SER 9 N 0.00 0.00 0.55 -0.10 0.87 -1.60 0.23 113.55 113.49 2gqb h SER 9 Ca 0.00 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.31 2gqb h SER 9 Cb 0.30 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.21 2gqb h SER 9 CO 0.00 0.53 -1.63 0.00 -0.53 0.00 0.00 176.83 175.21 2gqb n ALA 10 N -2.36 1.64 -0.06 6.23 0.00 -0.54 -2.59 120.51 122.83 2gqb n ALA 10 Ca -0.01 -0.70 -0.04 0.00 0.00 0.00 0.00 53.44 52.69 2gqb n ALA 10 Cb 0.59 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 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 0.45 -0.00 0.00 2.04 -1.34 -3.36 117.51 115.31 2gqb h ILE 11 Ca -0.25 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.27 2gqb h ILE 11 Cb 1.88 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.81 2gqb h ILE 11 CO 0.07 0.15 -0.20 0.49 0.00 0.00 0.00 178.15 178.66 2gqb n PHE 12 N -4.73 0.00 1.54 1.37 3.72 0.06 -3.31 117.46 116.10 2gqb n PHE 12 Ca -0.03 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.52 2gqb n PHE 12 Cb 0.13 -0.36 0.70 0.00 -0.94 0.00 0.00 39.48 39.01 2gqb n PHE 12 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2gqb n GLY 13 N 1.47 -0.96 3.59 1.37 0.00 -1.07 -4.74 105.19 104.86 2gqb n GLY 13 Ca 0.07 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.37 6.09 0.00 1.61 -1.08 -1.21 -4.88 116.67 114.84 2gqb s ASP 14 Ca 0.33 0.07 0.00 0.00 -0.52 0.00 0.00 52.55 52.43 2gqb s ASP 14 Cb 0.21 -2.15 0.00 0.00 -1.46 0.00 0.00 42.92 39.52 2gqb s ASP 14 CO 0.44 -0.10 0.02 -1.20 0.52 0.00 0.00 175.17 174.85 2gqb n SER 15 N 5.15 0.05 -2.09 -0.34 7.64 -1.26 -4.90 113.62 117.87 2gqb n SER 15 Ca -0.12 -0.38 -0.01 0.00 1.01 0.00 0.00 58.87 59.36 2gqb n SER 15 Cb 0.51 0.62 0.05 0.00 -1.01 0.00 0.00 64.21 64.39 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 -0.62 -0.22 0.02 -0.43 0.00 -1.26 -4.94 120.51 113.06 2gqb n ALA 16 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2gqb n ALA 16 Cb 0.01 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.62 3.00 -0.27 0.00 0.00 -1.26 -4.86 120.51 116.50 2gqb n ALA 17 Ca -0.09 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.45 2gqb n ALA 17 Cb 0.66 0.03 0.28 0.00 0.00 0.00 0.00 19.45 20.42 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 -2.69 2.34 -1.66 0.00 0.00 -1.26 -5.00 120.51 112.24 2gqb n ALA 18 Ca 0.00 -1.24 -0.50 0.00 0.00 0.00 0.00 53.44 51.71 2gqb n ALA 18 Cb 0.00 -0.81 -0.05 0.00 0.00 0.00 0.00 19.45 18.59 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 1.39 2.69 -4.57 0.00 7.64 -1.26 -4.83 113.62 114.68 2gqb n SER 19 Ca 0.21 1.07 -0.39 0.00 1.01 0.00 0.00 58.87 60.77 2gqb n SER 19 Cb 0.58 -1.31 -0.03 0.00 -1.01 0.00 0.00 64.21 62.44 2gqb n SER 19 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2gqb s PRO 20 N 1.94 2.58 -0.39 1.43 0.04 -1.26 -4.78 135.00 134.56 2gqb s PRO 20 Ca 0.86 1.53 -0.00 0.00 0.04 0.00 0.00 61.00 63.43 2gqb s PRO 20 Cb -0.81 -4.47 0.25 0.00 0.04 0.00 0.00 34.50 29.51 2gqb s PRO 20 CO 0.48 -2.74 1.08 0.41 0.04 0.00 0.00 177.00 176.27 2gqb n GLY 21 N 5.85 -1.19 3.55 0.56 0.00 -1.26 -5.11 105.19 107.58 2gqb n GLY 21 Ca 0.32 0.80 -0.43 0.00 0.00 0.00 0.00 46.02 46.71 2gqb n GLY 21 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gqb s GLY 22 N -0.27 1.36 -0.87 -0.02 0.00 -1.26 -4.98 107.32 101.29 2gqb s GLY 22 Ca 0.27 -0.99 -0.22 0.00 0.00 0.00 0.00 44.72 43.79 2gqb s GLY 22 CO -0.13 2.16 1.18 0.00 0.00 0.00 0.00 173.10 176.32 2gqb s ALA 23 N 4.13 3.08 -0.92 3.20 0.00 -1.26 -4.95 121.76 125.03 2gqb s ALA 23 Ca 0.36 -2.28 -0.18 0.00 0.00 0.00 0.00 51.96 49.86 2gqb s ALA 23 Cb -0.10 -4.14 0.14 0.00 0.00 0.00 0.00 23.12 19.01 2gqb s ALA 23 CO 0.23 -3.12 1.10 -0.65 0.00 0.00 0.00 175.76 173.32 2gqb s GLN 24 N 3.90 3.60 -0.12 0.00 -1.52 -1.26 -4.99 119.66 119.26 2gqb s GLN 24 Ca 0.34 -1.81 0.03 0.00 -1.95 0.00 0.00 55.36 51.97 2gqb s GLN 24 Cb -0.07 -4.88 0.01 0.00 -0.22 0.00 0.00 33.01 27.85 2gqb s GLN 24 CO -0.02 -1.73 -0.23 0.00 -0.25 0.00 0.00 175.29 173.05 2gqb s ALA 25 N 2.49 2.20 0.00 6.09 0.00 -1.26 -5.02 121.76 126.27 2gqb s ALA 25 Ca 0.31 -1.03 -0.05 0.00 0.00 0.00 0.00 51.96 51.20 2gqb s ALA 25 Cb -0.05 -0.91 -0.20 0.00 0.00 0.00 0.00 23.12 21.95 2gqb s ALA 25 CO -0.09 0.11 3.04 -0.35 0.00 0.00 0.00 175.76 178.47 2gqb n PRO 26 N 3.84 1.64 -0.58 0.00 -0.04 -1.26 -4.23 135.00 134.36 2gqb n PRO 26 Ca -0.20 -0.75 0.07 0.00 -0.04 0.00 0.00 63.50 62.58 2gqb n PRO 26 Cb 0.52 -1.81 0.29 0.00 -0.04 0.00 0.00 33.50 32.46 2gqb n PRO 26 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2gqb n ALA 27 N 2.42 3.31 -2.62 0.55 0.00 -1.26 -4.93 120.51 117.97 2gqb n ALA 27 Ca 0.32 -2.27 -0.43 0.00 0.00 0.00 0.00 53.44 51.07 2gqb n ALA 27 Cb 0.76 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 19.34 2gqb n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2gqb s THR 28 N -2.85 4.25 0.16 0.00 2.01 -1.26 -4.44 115.64 113.51 2gqb s THR 28 Ca 0.46 0.54 0.00 0.00 0.31 0.00 0.00 61.69 63.00 2gqb s THR 28 Cb 0.37 -4.61 -0.15 0.00 0.01 0.00 0.00 72.50 68.12 2gqb s THR 28 CO 0.10 -1.19 1.37 0.74 -0.69 0.00 0.00 174.62 174.95 2gqb h THR 29 N 6.08 1.46 0.00 -0.82 2.02 -1.74 -3.48 112.91 116.42 2gqb h THR 29 Ca -0.26 -2.52 0.00 0.00 0.77 0.00 0.00 66.41 64.41 2gqb h THR 29 Cb 1.07 2.41 0.00 0.00 -1.74 0.00 0.00 68.15 69.89 2gqb h THR 29 CO 1.12 0.74 0.00 0.61 0.37 0.00 0.00 175.52 178.36 2gqb n GLY 30 N 0.85 1.18 0.29 2.16 0.00 -1.26 -4.95 105.19 103.46 2gqb n GLY 30 Ca -0.04 0.27 0.12 0.00 0.00 0.00 0.00 46.02 46.36 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 -3.00 3.34 -2.39 4.61 0.00 -1.26 -4.91 120.51 116.89 2gqb n ALA 31 Ca 0.00 -0.48 -0.20 0.00 0.00 0.00 0.00 53.44 52.76 2gqb n ALA 31 Cb 0.00 -1.02 -0.10 0.00 0.00 0.00 0.00 19.45 18.33 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 -2.56 2.15 -0.40 0.00 0.00 -1.26 -5.12 121.76 114.57 2gqb s ALA 32 Ca 0.21 -1.85 0.02 0.00 0.00 0.00 0.00 51.96 50.34 2gqb s ALA 32 Cb 0.19 0.29 0.19 0.00 0.00 0.00 0.00 23.12 23.78 2gqb s ALA 32 CO 0.57 -0.13 0.79 0.20 0.00 0.00 0.00 175.76 177.18 2gqb s GLY 33 N -3.39 -1.39 -0.86 0.00 0.00 -1.26 -1.91 107.32 98.50 2gqb s GLY 33 Ca 0.29 0.38 -0.23 0.00 0.00 0.00 0.00 44.72 45.16 2gqb s GLY 33 CO 0.11 3.88 1.24 -1.59 0.00 0.00 0.00 173.10 176.73 2gqb s THR 34 N 1.61 4.14 -0.23 0.90 2.01 -1.26 -4.86 115.64 117.94 2gqb s THR 34 Ca 0.19 -0.59 -0.24 0.00 0.31 0.00 0.00 61.69 61.36 2gqb s THR 34 Cb -0.00 -4.89 -0.01 0.00 0.01 0.00 0.00 72.50 67.62 2gqb s THR 34 CO -0.09 -1.72 0.80 0.00 -0.69 0.00 0.00 174.62 172.92 2gqb s ALA 35 N 4.45 3.63 -0.32 7.40 0.00 -1.26 -4.98 121.76 130.67 2gqb s ALA 35 Ca 0.35 -0.15 -0.29 0.00 0.00 0.00 0.00 51.96 51.88 2gqb s ALA 35 Cb -0.06 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.74 2gqb s ALA 35 CO 0.00 -0.87 2.28 -0.35 0.00 0.00 0.00 175.76 176.82 2gqb n PRO 36 N 5.86 1.55 -2.42 0.00 -0.04 -1.26 -4.88 135.00 133.80 2gqb n PRO 36 Ca 0.05 0.35 -0.38 0.00 -0.04 0.00 0.00 63.50 63.48 2gqb n PRO 36 Cb 0.48 -3.12 -0.03 0.00 -0.04 0.00 0.00 33.50 30.78 2gqb n PRO 36 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2gqb s THR 37 N 9.15 3.76 -0.18 0.52 -1.32 -1.26 -4.76 115.64 121.54 2gqb s THR 37 Ca 1.03 -0.42 -0.14 0.00 -1.21 0.00 0.00 61.69 60.94 2gqb s THR 37 Cb -0.40 -4.76 -0.08 0.00 -1.51 0.00 0.00 72.50 65.75 2gqb s THR 37 CO 0.36 -1.66 -0.14 0.00 -2.21 0.00 0.00 174.62 170.96 2gqb n ALA 38 N 10.23 0.70 -2.94 11.08 0.00 -1.26 -4.80 120.51 133.53 2gqb n ALA 38 Ca 0.29 -0.60 -0.44 0.00 0.00 0.00 0.00 53.44 52.69 2gqb n ALA 38 Cb 0.50 -0.10 -0.05 0.00 0.00 0.00 0.00 19.45 19.79 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 -2.44 3.08 -0.43 0.00 0.04 -1.26 -5.00 135.00 129.00 2gqb s PRO 39 Ca -0.24 -1.10 0.02 0.00 0.04 0.00 0.00 61.00 59.72 2gqb s PRO 39 Cb 0.05 -4.19 0.13 0.00 0.04 0.00 0.00 34.50 30.53 2gqb s PRO 39 CO 0.38 -1.40 0.22 -1.14 0.04 0.00 0.00 177.00 175.11 2gqb s GLN 40 N 2.69 1.24 -0.63 4.56 0.74 -1.26 -5.07 119.66 121.93 2gqb s GLN 40 Ca 0.13 -1.92 -0.27 0.00 0.05 0.00 0.00 55.36 53.36 2gqb s GLN 40 Cb -0.22 -2.33 -0.01 0.00 1.10 0.00 0.00 33.01 31.56 2gqb s GLN 40 CO 0.09 -1.14 1.72 -2.14 -0.55 0.00 0.00 175.29 173.27 2gqb s PRO 41 N 0.48 2.80 -1.08 1.67 0.02 -1.26 -4.93 135.00 132.69 2gqb s PRO 41 Ca 0.17 0.46 -0.09 0.00 0.02 0.00 0.00 61.00 61.56 2gqb s PRO 41 Cb -0.24 -4.33 0.27 0.00 0.02 0.00 0.00 34.50 30.23 2gqb s PRO 41 CO -0.02 -2.55 1.07 0.99 -0.33 0.00 0.00 177.00 176.16 2gqb s THR 42 N 8.19 5.88 0.09 0.99 2.01 -1.26 -4.96 115.64 126.58 2gqb s THR 42 Ca 0.60 -3.40 -0.26 0.00 0.31 0.00 0.00 61.69 58.95 2gqb s THR 42 Cb -0.12 -4.54 0.08 0.00 0.01 0.00 0.00 72.50 67.93 2gqb s THR 42 CO 0.20 -1.17 0.76 0.00 -0.69 0.00 0.00 174.62 173.72 2gqb s ALA 43 N -1.18 -1.69 -0.39 7.40 0.00 -1.26 -5.12 121.76 119.52 2gqb s ALA 43 Ca 0.30 0.67 0.03 0.00 0.00 0.00 0.00 51.96 52.96 2gqb s ALA 43 Cb -0.10 0.66 0.16 0.00 0.00 0.00 0.00 23.12 23.83 2gqb s ALA 43 CO -0.08 -0.76 0.35 0.00 0.00 0.00 0.00 175.76 175.27 2gqb s ALA 44 N -3.44 0.14 -1.95 0.00 0.00 -1.26 -4.98 121.76 110.27 2gqb s ALA 44 Ca 0.04 -1.45 0.31 0.00 0.00 0.00 0.00 51.96 50.86 2gqb s ALA 44 Cb -0.01 -1.90 1.71 0.00 0.00 0.00 0.00 23.12 22.92 2gqb s ALA 44 CO -0.09 -2.11 2.13 -0.35 0.00 0.00 0.00 175.76 175.33 2gqb n PRO 45 N 3.81 0.97 -3.70 0.00 -0.04 -1.26 -4.73 135.00 130.05 2gqb n PRO 45 Ca 0.16 -0.12 -0.11 0.00 -0.04 0.00 0.00 63.50 63.38 2gqb n PRO 45 Cb 0.44 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 2gqb n PRO 45 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2gqb s SER 46 N -2.12 -0.56 -0.63 3.54 0.01 -1.26 -5.10 113.70 107.59 2gqb s SER 46 Ca 0.43 0.99 -0.23 0.00 1.31 0.00 0.00 55.95 58.45 2gqb s SER 46 Cb 0.22 0.93 0.06 0.00 0.21 0.00 0.00 66.02 67.44 2gqb s SER 46 CO 0.39 -0.19 0.95 -0.63 0.41 0.00 0.00 173.24 174.18 2gqb s ILE 47 N 0.89 4.34 -0.63 1.44 -1.09 -0.75 -4.92 121.20 120.48 2gqb s ILE 47 Ca -0.05 -0.18 -0.27 0.00 -2.23 0.00 0.00 60.65 57.92 2gqb s ILE 47 Cb -0.06 -4.64 0.01 0.00 -1.58 0.00 0.00 42.46 36.20 2gqb s ILE 47 CO -0.07 -1.36 1.46 -0.62 -1.23 0.00 0.00 174.94 173.12 2gqb s ASP 48 N 3.43 5.97 0.33 3.58 -1.08 -1.26 0.85 116.67 128.48 2gqb s ASP 48 Ca 0.24 0.05 0.19 0.00 -0.52 0.00 0.00 52.55 52.51 2gqb s ASP 48 Cb -0.16 -2.55 0.16 0.00 -1.46 0.00 0.00 42.92 38.92 2gqb s ASP 48 CO 0.13 -1.88 1.45 0.58 0.52 0.00 0.00 175.17 175.96 2gqb h VAL 49 N 6.36 0.41 -0.04 1.11 2.07 -1.61 -3.33 116.25 121.22 2gqb h VAL 49 Ca -0.27 -1.60 0.03 0.00 0.82 0.00 0.00 66.70 65.68 2gqb h VAL 49 Cb 1.09 2.15 -0.04 0.00 -1.52 0.00 0.00 31.29 32.98 2gqb h VAL 49 CO 1.22 0.23 -0.16 0.00 0.02 0.00 0.00 177.57 178.89 2gqb h ALA 50 N 1.74 -0.16 -0.14 1.67 0.00 -1.88 -1.63 119.26 118.87 2gqb h ALA 50 Ca -0.01 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 2gqb h ALA 50 Cb 1.21 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 2gqb h ALA 50 CO 0.03 -0.64 -0.64 -1.35 0.00 0.00 0.00 179.25 176.65 2gqb h PRO 51 N -0.24 0.54 -0.91 0.00 0.11 -1.94 -1.81 132.00 127.74 2gqb h PRO 51 Ca 0.07 -0.39 0.03 0.00 0.11 0.00 0.00 66.00 65.82 2gqb h PRO 51 Cb 0.33 0.06 -0.05 0.00 0.11 0.00 0.00 31.00 31.45 2gqb h PRO 51 CO -0.18 1.01 0.60 0.82 -0.21 0.00 0.00 178.00 180.03 2gqb h ILE 52 N 0.39 1.18 0.12 4.15 2.04 -1.59 -0.59 117.51 123.21 2gqb h ILE 52 Ca -0.01 -0.40 -0.35 0.00 1.00 0.00 0.00 64.86 65.09 2gqb h ILE 52 Cb 1.21 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2gqb h ILE 52 CO 0.12 0.21 -1.91 -0.07 0.00 0.00 0.00 178.15 176.50 2gqb h LEU 53 N 1.17 0.41 -0.49 1.44 4.07 -1.32 -3.11 115.31 117.47 2gqb h LEU 53 Ca 0.35 -0.92 -0.02 0.00 0.08 0.00 0.00 57.88 57.37 2gqb h LEU 53 Cb -0.03 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.55 2gqb h LEU 53 CO -0.10 1.82 0.22 -0.78 -1.08 0.00 0.00 178.44 178.53 2gqb h ASP 54 N -0.01 0.66 1.23 -0.43 3.58 -1.23 -0.71 116.42 119.50 2gqb h ASP 54 Ca -0.41 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 56.90 2gqb h ASP 54 Cb 1.98 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.86 2gqb h ASP 54 CO 0.08 0.62 -0.08 0.29 -2.88 0.00 0.00 179.24 177.27 2gqb n LYS 55 N -4.59 0.17 0.13 0.28 4.76 -0.24 -2.29 118.16 116.37 2gqb n LYS 55 Ca 0.02 0.13 0.02 0.00 -2.87 0.00 0.00 58.31 55.60 2gqb n LYS 55 Cb 0.13 -1.68 0.01 0.00 -1.84 0.00 0.00 35.03 31.65 2gqb n LYS 55 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2gqb h ALA 56 N 2.69 0.67 0.09 7.82 0.00 -1.33 -2.98 119.26 126.21 2gqb h ALA 56 Ca 0.00 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 2gqb h ALA 56 Cb 0.65 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2gqb h ALA 56 CO 0.00 0.66 -0.04 0.28 0.00 0.00 0.00 179.25 180.15 2gqb h VAL 57 N 0.00 0.99 0.00 0.00 2.07 -0.72 -0.01 116.25 118.58 2gqb h VAL 57 Ca -0.02 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2gqb h VAL 57 Cb 1.41 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 2gqb h VAL 57 CO 0.06 0.07 0.00 2.29 0.02 0.00 0.00 177.57 180.01 2gqb n LYS 58 N -5.08 0.35 0.04 1.57 2.85 -1.22 -2.19 118.16 114.48 2gqb n LYS 58 Ca -0.08 0.04 0.02 0.00 -1.05 0.00 0.00 58.31 57.23 2gqb n LYS 58 Cb 0.12 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 32.93 2gqb n LYS 58 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2gqb n ALA 59 N -1.30 2.02 0.05 0.58 0.00 -0.85 -4.29 120.51 116.73 2gqb n ALA 59 Ca 0.12 -0.49 -0.09 0.00 0.00 0.00 0.00 53.44 52.98 2gqb n ALA 59 Cb 0.22 -0.99 -0.07 0.00 0.00 0.00 0.00 19.45 18.62 2gqb n ALA 59 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2gqb h LYS 60 N 0.00 -0.22 0.00 0.00 1.63 -0.52 -3.49 116.57 113.97 2gqb h LYS 60 Ca -0.14 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 2gqb h LYS 60 Cb 1.49 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 33.17 2gqb h LYS 60 CO 0.04 0.17 0.00 0.41 -3.45 0.00 0.00 179.45 176.62 2gqb n GLY 61 N 0.77 1.06 3.92 5.01 0.00 -1.12 -5.12 105.19 109.71 2gqb n GLY 61 Ca -0.07 0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 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 2.50 -1.29 1.61 1.03 -1.26 -4.93 118.70 116.36 2gqb s GLU 62 Ca 0.00 -1.59 -0.18 0.00 0.03 0.00 0.00 54.97 53.23 2gqb s GLU 62 Cb 0.00 -2.41 0.04 0.00 -0.80 0.00 0.00 34.13 30.95 2gqb s GLU 62 CO 0.00 -0.35 1.83 1.17 -1.33 0.00 0.00 175.26 176.58 2gqb n LYS 63 N -1.70 2.86 -1.37 -4.83 3.00 -1.26 -4.46 118.16 110.41 2gqb n LYS 63 Ca 0.05 -3.04 -0.31 0.00 -0.00 0.00 0.00 58.31 55.01 2gqb n LYS 63 Cb 0.62 -3.50 0.09 0.00 0.00 0.00 0.00 35.03 32.24 2gqb n LYS 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2gqb s LEU 64 N 5.04 2.87 -0.48 3.14 1.43 -1.26 -5.04 118.68 124.38 2gqb s LEU 64 Ca 0.56 1.64 0.04 0.00 -1.03 0.00 0.00 54.13 55.34 2gqb s LEU 64 Cb 0.05 -4.33 0.17 0.00 0.03 0.00 0.00 46.19 42.11 2gqb s LEU 64 CO 0.07 -1.98 0.39 1.21 0.23 0.00 0.00 176.35 176.27 2gqb n GLU 65 N -3.47 0.59 0.17 1.70 4.07 -1.26 -4.92 120.64 117.51 2gqb n GLU 65 Ca 0.08 -3.47 0.12 0.00 -0.06 0.00 0.00 57.16 53.83 2gqb n GLU 65 Cb 0.54 -1.79 0.59 0.00 -0.06 0.00 0.00 31.44 30.71 2gqb n GLU 65 CO 0.00 0.00 0.00 0.11 -0.06 0.00 0.00 177.13 177.18 2gqb h TRP 66 N 5.49 0.00 -0.99 4.31 5.08 -1.91 -1.52 115.95 126.42 2gqb h TRP 66 Ca 0.24 0.00 0.14 0.00 1.08 0.00 0.00 58.89 60.34 2gqb h TRP 66 Cb 0.87 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 26.94 2gqb h TRP 66 CO 0.36 0.00 0.61 0.00 -1.28 0.00 0.00 178.44 178.13 2gqb h ARG 67 N 0.00 0.88 0.00 0.12 2.47 -2.00 -3.30 114.38 112.55 2gqb h ARG 67 Ca 0.00 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 2gqb h ARG 67 Cb 0.19 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 2gqb h ARG 67 CO 0.00 0.58 -0.32 -2.37 0.56 0.00 0.00 179.97 178.43 2gqb n THR 68 N -4.68 0.00 -3.99 2.04 5.66 -1.12 -4.91 114.28 107.29 2gqb n THR 68 Ca 0.20 -0.11 -0.35 0.00 -3.05 0.00 0.00 64.05 60.74 2gqb n THR 68 Cb 0.41 0.56 -0.11 0.00 -1.55 0.00 0.00 70.33 69.64 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 -0.85 5.37 -0.04 1.09 0.01 -0.59 -4.75 113.70 113.94 2gqb s SER 69 Ca 0.00 -0.04 -0.02 0.00 1.31 0.00 0.00 55.95 57.21 2gqb s SER 69 Cb 0.00 -1.93 -0.27 0.00 0.21 0.00 0.00 66.02 64.03 2gqb s SER 69 CO 0.00 0.11 0.68 -0.29 0.41 0.00 0.00 173.24 174.15 2gqb h ILE 70 N 5.12 0.95 0.00 1.44 6.09 -1.85 -3.20 117.51 126.06 2gqb h ILE 70 Ca -0.36 -2.64 -0.06 0.00 -1.37 0.00 0.00 64.86 60.43 2gqb h ILE 70 Cb 1.17 2.64 -0.01 0.00 0.47 0.00 0.00 36.82 41.09 2gqb h ILE 70 CO 0.65 0.79 -0.26 0.58 -3.07 0.00 0.00 178.15 176.83 2gqb h VAL 71 N 0.06 0.94 0.71 2.19 2.07 -1.94 -3.03 116.25 117.25 2gqb h VAL 71 Ca -0.30 -0.99 -0.03 0.00 0.82 0.00 0.00 66.70 66.19 2gqb h VAL 71 Cb 2.03 1.58 0.01 0.00 -1.52 0.00 0.00 31.29 33.38 2gqb h VAL 71 CO 0.13 0.26 -0.34 -0.78 0.02 0.00 0.00 177.57 176.86 2gqb h ASP 72 N 0.00 -0.81 0.34 0.57 1.82 -1.90 -3.01 116.42 113.43 2gqb h ASP 72 Ca -0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 2gqb h ASP 72 Cb 0.56 0.21 -0.00 0.00 0.68 0.00 0.00 39.33 40.78 2gqb h ASP 72 CO 0.03 -0.46 -0.04 0.17 -1.61 0.00 0.00 179.24 177.33 2gqb h LEU 73 N -1.17 0.00 0.20 2.28 8.10 -1.55 -2.16 115.31 121.01 2gqb h LEU 73 Ca -0.10 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.89 2gqb h LEU 73 Cb 0.76 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.97 2gqb h LEU 73 CO 0.16 0.04 -0.14 -0.03 -4.11 0.00 0.00 178.44 174.36 2gqb h MET 74 N 0.00 -0.33 0.00 0.17 4.05 -1.40 -2.76 114.93 114.66 2gqb h MET 74 Ca -0.00 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 2gqb h MET 74 Cb 0.22 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.09 2gqb h MET 74 CO 0.01 -0.22 -0.06 1.57 0.23 0.00 0.00 176.91 178.43 2gqb h LYS 75 N -0.35 0.00 -0.67 0.39 2.10 -1.41 -3.25 116.57 113.39 2gqb h LYS 75 Ca -0.01 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.63 2gqb h LYS 75 Cb 0.30 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.60 2gqb h LYS 75 CO -0.00 0.00 0.39 0.00 -2.00 0.00 0.00 179.45 177.83 2gqb h ALA 76 N 2.49 0.86 0.33 0.07 0.00 -1.11 -3.20 119.26 118.70 2gqb h ALA 76 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2gqb h ALA 76 Cb 0.76 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2gqb h ALA 76 CO 0.00 0.35 -0.16 -0.07 0.00 0.00 0.00 179.25 179.38 2gqb h LEU 77 N 0.92 -0.37 0.00 0.00 -0.00 -1.57 -3.42 115.31 110.87 2gqb h LEU 77 Ca 0.24 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.13 2gqb h LEU 77 Cb 0.01 0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 2gqb h LEU 77 CO -0.04 -0.19 0.00 -0.67 -0.00 0.00 0.00 178.44 177.54 2gqb n ASP 78 N -3.59 0.00 -4.03 -0.43 2.03 -1.21 -5.05 116.55 104.28 2gqb n ASP 78 Ca -0.05 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.11 2gqb n ASP 78 Cb 0.17 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.45 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 0.53 0.29 5.18 -1.09 -1.23 -4.97 121.20 119.91 2gqb s ILE 79 Ca 0.00 -0.72 0.15 0.00 -2.23 0.00 0.00 60.65 57.85 2gqb s ILE 79 Cb 0.00 -0.53 0.08 0.00 -1.58 0.00 0.00 42.46 40.43 2gqb s ILE 79 CO 0.00 -0.15 1.76 -2.24 -1.23 0.00 0.00 174.94 173.08 2gqb h ASP 80 N 5.15 0.00 -2.63 3.58 3.04 -1.91 -3.38 116.42 120.27 2gqb h ASP 80 Ca -0.33 0.00 -0.34 0.00 -3.24 0.00 0.00 57.03 53.12 2gqb h ASP 80 Cb 1.20 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 39.43 2gqb h ASP 80 CO 0.45 0.43 -0.39 -1.54 -2.04 0.00 0.00 179.24 176.14 2gqb n SER 81 N -3.83 -4.81 -2.51 4.15 3.41 -1.26 -4.97 113.62 103.80 2gqb n SER 81 Ca -0.01 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 2gqb n SER 81 Cb 0.48 -4.14 0.00 0.00 -0.26 0.00 0.00 64.21 60.29 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 -1.58 0.00 -0.00 4.04 2.88 -1.26 -4.68 113.62 113.02 2gqb n SER 82 Ca -0.19 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.23 2gqb n SER 82 Cb 0.62 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.01 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 0.07 -1.18 2.46 7.12 -1.99 -2.44 115.31 119.35 2gqb h LEU 83 Ca 0.00 -0.22 0.10 0.00 0.13 0.00 0.00 57.88 57.90 2gqb h LEU 83 Cb 0.00 -0.02 -0.07 0.00 -0.53 0.00 0.00 40.66 40.04 2gqb h LEU 83 CO 0.00 0.27 0.58 0.28 -0.13 0.00 0.00 178.44 179.45 2gqb h SER 84 N -0.13 0.81 0.24 1.25 0.02 -1.99 -0.43 113.55 113.32 2gqb h SER 84 Ca 0.02 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2gqb h SER 84 Cb 0.23 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2gqb h SER 84 CO -0.00 0.46 -0.11 0.00 -1.14 0.00 0.00 176.83 176.04 2gqb h ALA 85 N 1.56 -0.32 0.00 3.77 0.00 -1.87 -2.47 119.26 119.93 2gqb h ALA 85 Ca 0.43 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2gqb h ALA 85 Cb 0.45 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2gqb h ALA 85 CO -0.19 -0.41 -0.13 0.07 0.00 0.00 0.00 179.25 178.59 2gqb h ARG 86 N -0.87 0.00 0.02 0.00 0.11 -1.23 -2.06 114.38 110.35 2gqb h ARG 86 Ca -0.03 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.05 2gqb h ARG 86 Cb 0.51 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.59 2gqb h ARG 86 CO 0.05 0.13 -0.01 -0.22 0.10 0.00 0.00 179.97 180.03 2gqb h LYS 87 N 0.00 -0.02 -0.15 0.08 1.63 -1.10 -3.12 116.57 113.89 2gqb h LYS 87 Ca -0.00 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.74 2gqb h LYS 87 Cb 0.30 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.93 2gqb h LYS 87 CO 0.02 0.65 -0.14 1.05 -3.45 0.00 0.00 179.45 177.58 2gqb h GLU 88 N -0.72 0.36 -0.68 1.90 4.11 -1.24 -2.48 114.58 115.83 2gqb h GLU 88 Ca -0.00 -0.19 0.08 0.00 0.07 0.00 0.00 59.36 59.32 2gqb h GLU 88 Cb 0.68 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.87 2gqb h GLU 88 CO 0.00 0.74 0.35 1.25 0.07 0.00 0.00 179.01 181.42 2gqb h LEU 89 N 0.00 0.48 -0.30 3.06 5.85 -1.52 -0.58 115.31 122.31 2gqb h LEU 89 Ca 0.03 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 2gqb h LEU 89 Cb 0.66 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 2gqb h LEU 89 CO 0.04 0.29 -0.17 0.00 -0.34 0.00 0.00 178.44 178.25 2gqb h ALA 90 N 1.39 0.42 0.00 1.25 0.00 -1.54 -3.11 119.26 117.68 2gqb h ALA 90 Ca 0.32 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2gqb h ALA 90 Cb 0.29 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2gqb h ALA 90 CO -0.23 0.34 -0.08 1.57 0.00 0.00 0.00 179.25 180.84 2gqb h LYS 91 N 0.39 0.00 -0.72 0.00 2.10 -0.92 0.31 116.57 117.74 2gqb h LYS 91 Ca 0.06 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.69 2gqb h LYS 91 Cb 0.70 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.00 2gqb h LYS 91 CO 0.05 0.08 0.34 0.93 -2.00 0.00 0.00 179.45 178.85 2gqb h GLU 92 N 0.00 1.04 0.00 0.07 4.39 -1.06 -2.88 114.58 116.14 2gqb h GLU 92 Ca -0.00 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.52 2gqb h GLU 92 Cb 0.73 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2gqb h GLU 92 CO 0.01 0.82 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.47 2gqb h LEU 93 N 1.01 0.00 0.00 1.33 3.38 -1.29 -3.47 115.31 116.28 2gqb h LEU 93 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2gqb h LEU 93 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2gqb h LEU 93 CO -0.03 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.20 2gqb n GLY 94 N 1.13 1.21 2.88 0.83 0.00 -0.41 -4.83 105.19 106.00 2gqb n GLY 94 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 2gqb n GLY 94 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2gqb n TYR 95 N 0.00 -1.76 -2.05 1.61 9.36 0.98 -4.85 117.16 120.44 2gqb n TYR 95 Ca 0.00 0.45 -0.39 0.00 3.32 0.00 0.00 57.90 61.28 2gqb n TYR 95 Cb 0.00 -4.25 -0.02 0.00 -0.63 0.00 0.00 39.34 34.44 2gqb n TYR 95 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 2gqb n SER 96 N -2.19 3.87 -3.72 2.98 7.64 -1.26 -4.85 113.62 116.08 2gqb n SER 96 Ca -0.12 -2.81 -0.22 0.00 1.01 0.00 0.00 58.87 56.73 2gqb n SER 96 Cb 0.62 -1.63 -0.18 0.00 -1.01 0.00 0.00 64.21 62.01 2gqb n SER 96 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2gqb s GLY 97 N 4.71 0.38 0.00 0.23 0.00 -1.26 -5.00 107.32 106.38 2gqb s GLY 97 Ca 0.57 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 45.25 2gqb s GLY 97 CO 0.07 1.28 0.00 1.34 0.00 0.00 0.00 173.10 175.78 2gqb n ASP 98 N 5.21 0.00 -0.65 1.64 2.03 -1.26 -4.95 116.55 118.57 2gqb n ASP 98 Ca -0.06 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.33 2gqb n ASP 98 Cb 0.50 0.00 0.25 0.00 -0.72 0.00 0.00 41.12 41.14 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 -0.46 1.83 0.15 -0.67 0.00 -1.26 -3.18 117.12 113.53 2gqb n MET 99 Ca 0.00 -1.27 0.12 0.00 0.00 0.00 0.00 57.70 56.55 2gqb n MET 99 Cb 0.00 -1.33 0.17 0.00 0.00 0.00 0.00 33.22 32.06 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 2.24 0.00 -1.45 3.17 -1.07 -1.94 -3.50 115.58 113.03 2gqb h ASN 100 Ca 0.00 -0.03 0.09 0.00 0.07 0.00 0.00 56.30 56.43 2gqb h ASN 100 Cb 0.50 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.73 2gqb h ASN 100 CO 0.00 0.01 -0.12 0.47 0.07 0.00 0.00 177.43 177.86 2gqb n ASP 101 N -2.73 -6.24 0.23 6.14 8.00 -1.19 -1.65 116.55 119.11 2gqb n ASP 101 Ca 0.03 0.36 0.06 0.00 0.71 0.00 0.00 54.79 55.95 2gqb n ASP 101 Cb 0.51 -1.01 0.56 0.00 -0.02 0.00 0.00 41.12 41.16 2gqb n ASP 101 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2gqb h SER 102 N -0.31 0.03 0.54 -2.24 0.02 -1.96 -1.97 113.55 107.66 2gqb h SER 102 Ca 0.01 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 2gqb h SER 102 Cb 0.30 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 62.84 2gqb h SER 102 CO 0.00 0.10 -0.26 0.00 -1.14 0.00 0.00 176.83 175.54 2gqb h ALA 103 N 1.90 -1.13 0.00 3.77 0.00 -2.00 -3.06 119.26 118.73 2gqb h ALA 103 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2gqb h ALA 103 Cb 0.14 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2gqb h ALA 103 CO 0.01 -1.08 0.00 0.43 0.00 0.00 0.00 179.25 178.61 2gqb n SER 104 N -4.06 0.29 -0.06 0.00 7.64 -0.66 -3.14 113.62 113.63 2gqb n SER 104 Ca -0.09 0.54 -0.10 0.00 1.01 0.00 0.00 58.87 60.23 2gqb n SER 104 Cb 0.29 -0.61 -0.03 0.00 -1.01 0.00 0.00 64.21 62.84 2gqb n SER 104 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 2gqb h MET 105 N 0.00 0.30 -0.03 1.43 -1.53 -1.26 0.70 114.93 114.54 2gqb h MET 105 Ca 0.00 -0.03 -0.14 0.00 -3.44 0.00 0.00 59.70 56.09 2gqb h MET 105 Cb 0.51 -0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.48 2gqb h MET 105 CO 0.00 0.25 -0.64 -0.97 0.14 0.00 0.00 176.91 175.69 2gqb h ASN 106 N 0.26 0.15 -0.01 1.39 -1.24 -1.48 -2.39 115.58 112.27 2gqb h ASN 106 Ca 0.08 -0.09 -0.14 0.00 0.71 0.00 0.00 56.30 56.86 2gqb h ASN 106 Cb 0.03 -0.04 0.01 0.00 0.73 0.00 0.00 38.32 39.05 2gqb h ASN 106 CO -0.01 0.75 -0.54 0.40 -1.29 0.00 0.00 177.43 176.73 2gqb h ILE 107 N 0.09 1.44 -0.01 2.57 2.04 -1.54 -2.38 117.51 119.73 2gqb h ILE 107 Ca -0.01 -2.05 -0.00 0.00 1.00 0.00 0.00 64.86 63.80 2gqb h ILE 107 Cb 1.15 2.60 -0.00 0.00 -0.74 0.00 0.00 36.82 39.83 2gqb h ILE 107 CO 0.09 0.59 -0.01 -0.25 0.00 0.00 0.00 178.15 178.58 2gqb h TRP 108 N -0.15 0.02 0.00 1.37 7.01 -0.92 -3.17 115.95 120.10 2gqb h TRP 108 Ca -0.07 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 60.89 2gqb h TRP 108 Cb 1.26 -0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.31 2gqb h TRP 108 CO 0.15 0.51 -0.19 1.25 -2.79 0.00 0.00 178.44 177.37 2gqb h LEU 109 N -0.48 0.00 -0.20 0.65 6.46 -1.55 -2.23 115.31 117.96 2gqb h LEU 109 Ca 0.00 0.00 0.04 0.00 -0.12 0.00 0.00 57.88 57.80 2gqb h LEU 109 Cb 0.51 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.41 2gqb h LEU 109 CO 0.00 0.19 -0.03 -0.74 -0.62 0.00 0.00 178.44 177.24 2gqb h HIS 110 N 0.00 -0.07 -0.18 1.25 2.76 -1.40 -1.99 115.15 115.53 2gqb h HIS 110 Ca -0.00 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.16 2gqb h HIS 110 Cb 0.42 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.43 2gqb h HIS 110 CO 0.00 -0.06 0.02 0.87 -1.30 0.00 0.00 177.93 177.46 2gqb h LYS 111 N 0.03 0.30 -0.36 5.26 1.57 -1.42 -2.79 116.57 119.16 2gqb h LYS 111 Ca 0.10 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 2gqb h LYS 111 Cb 0.14 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 2gqb h LYS 111 CO -0.19 0.47 0.15 1.96 -0.57 0.00 0.00 179.45 181.27 2gqb h GLN 112 N 0.08 0.31 -0.47 3.15 1.08 -1.29 -1.53 115.11 116.44 2gqb h GLN 112 Ca 0.05 -0.02 -0.12 0.00 -1.45 0.00 0.00 58.65 57.11 2gqb h GLN 112 Cb 0.32 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 2gqb h GLN 112 CO 0.00 0.21 -0.19 0.28 -0.95 0.00 0.00 178.83 178.17 2gqb h VAL 113 N 0.32 1.27 -0.14 -0.54 2.07 -1.40 -2.86 116.25 114.97 2gqb h VAL 113 Ca 0.16 -1.35 -0.03 0.00 0.82 0.00 0.00 66.70 66.30 2gqb h VAL 113 Cb 0.11 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2gqb h VAL 113 CO -0.14 0.46 -0.07 0.24 0.02 0.00 0.00 177.57 178.08 2gqb h MET 114 N 0.82 0.21 0.00 1.57 2.86 -1.13 0.12 114.93 119.38 2gqb h MET 114 Ca 0.11 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2gqb h MET 114 Cb 0.75 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.38 2gqb h MET 114 CO 0.06 0.30 0.00 0.77 1.06 0.00 0.00 176.91 179.10 2gqb h SER 115 N 0.20 0.00 0.00 1.22 0.02 -1.06 -1.50 113.55 112.43 2gqb h SER 115 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2gqb h SER 115 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2gqb h SER 115 CO 0.01 0.00 -1.61 0.29 -1.14 0.00 0.00 176.83 174.38 2gqb n LYS 116 N -2.34 0.69 0.00 3.45 4.76 -0.11 -4.57 118.16 120.04 2gqb n LYS 116 Ca 0.02 -0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 2gqb n LYS 116 Cb 0.22 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 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 -1.98 0.00 0.29 -0.35 -0.00 -0.36 -4.58 117.00 110.01 2gqb n LEU 117 Ca -0.02 0.00 0.17 0.00 -0.00 0.00 0.00 56.01 56.16 2gqb n LEU 117 Cb 0.42 -0.14 0.80 0.00 -0.00 0.00 0.00 43.42 44.50 2gqb n LEU 117 CO 0.36 -0.17 1.02 -0.37 -0.00 0.00 0.00 177.39 178.23 2gqb h VAL 118 N 0.00 0.15 0.00 1.96 -1.51 -1.56 -1.61 116.25 113.68 2gqb h VAL 118 Ca 0.00 -0.45 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 2gqb h VAL 118 Cb 0.00 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 2gqb h VAL 118 CO 0.00 0.04 0.00 0.00 -1.23 0.00 0.00 177.57 176.38 2gqb h ALA 119 N 1.96 1.00 0.19 5.19 0.00 -1.78 -0.55 119.26 125.26 2gqb h ALA 119 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2gqb h ALA 119 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2gqb h ALA 119 CO 0.01 0.00 -0.09 -0.91 0.00 0.00 0.00 179.25 178.26 2gqb h ASN 120 N 0.00 -0.21 0.00 0.00 -0.26 -1.54 -3.44 115.58 110.13 2gqb h ASN 120 Ca 0.00 -0.19 0.00 0.00 -0.56 0.00 0.00 56.30 55.55 2gqb h ASN 120 Cb 0.29 0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.60 2gqb h ASN 120 CO 0.00 0.07 0.00 0.61 -1.06 0.00 0.00 177.43 177.05 2gqb n GLY 121 N -0.49 0.00 3.87 2.83 0.00 -1.11 -5.13 105.19 105.16 2gqb n GLY 121 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 2.30 -0.16 -0.02 0.00 -0.23 -1.81 107.32 107.39 2gqb s GLY 122 Ca 0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 44.72 44.16 2gqb s GLY 122 CO 0.00 -0.23 0.13 1.25 0.00 0.00 0.00 173.10 174.25 2gqb s LYS 123 N -1.47 3.82 0.09 2.90 2.20 0.25 -4.76 119.74 122.77 2gqb s LYS 123 Ca 0.25 -0.18 0.04 0.00 -0.36 0.00 0.00 55.97 55.72 2gqb s LYS 123 Cb -0.14 -3.31 -0.03 0.00 -1.51 0.00 0.00 37.83 32.84 2gqb s LYS 123 CO 0.13 0.53 -0.11 -0.48 -0.36 0.00 0.00 175.35 175.06 2gqb s LEU 124 N -0.31 2.38 0.55 5.43 -0.00 -1.26 -1.48 118.68 124.00 2gqb s LEU 124 Ca 0.11 -0.77 -0.21 0.00 -0.00 0.00 0.00 54.13 53.26 2gqb s LEU 124 Cb -0.11 -0.36 -0.04 0.00 -0.00 0.00 0.00 46.19 45.67 2gqb s LEU 124 CO 0.01 -0.22 1.34 -2.84 -0.00 0.00 0.00 176.35 174.64 2gqb s PRO 125 N -2.57 3.10 0.00 1.48 0.02 -1.26 -4.85 135.00 130.92 2gqb s PRO 125 Ca 0.04 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.24 2gqb s PRO 125 Cb -0.04 -2.21 0.00 0.00 0.02 0.00 0.00 34.50 32.27 2gqb s PRO 125 CO 0.01 -1.21 0.23 -2.30 -0.33 0.00 0.00 177.00 173.40 2gqb n PRO 126 N -1.12 0.24 0.01 5.54 -0.02 -1.26 -1.88 135.00 136.52 2gqb n PRO 126 Ca 0.11 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.57 2gqb n PRO 126 Cb 0.46 -1.02 -0.10 0.00 -0.02 0.00 0.00 33.50 32.82 2gqb n PRO 126 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2gqb n GLU 127 N -0.38 0.63 -3.41 -0.52 1.02 -1.26 -4.75 120.64 111.97 2gqb n GLU 127 Ca 0.00 0.21 -0.44 0.00 -0.02 0.00 0.00 57.16 56.91 2gqb n GLU 127 Cb 0.01 -1.78 -0.09 0.00 -0.02 0.00 0.00 31.44 29.56 2gqb n GLU 127 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2gqb s ILE 128 N -2.86 5.23 0.00 -3.67 1.09 -0.79 -4.80 121.20 115.40 2gqb s ILE 128 Ca -0.04 -0.85 0.00 0.00 -1.10 0.00 0.00 60.65 58.66 2gqb s ILE 128 Cb 0.09 -4.05 0.00 0.00 -1.06 0.00 0.00 42.46 37.44 2gqb s ILE 128 CO 0.82 -0.47 0.00 0.29 -0.10 0.00 0.00 174.94 175.48 2gqb n LYS 129 N 5.23 0.65 0.00 2.79 4.76 -1.26 -4.92 118.16 125.42 2gqb n LYS 129 Ca -0.11 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 2gqb n LYS 129 Cb 0.45 -0.06 0.00 0.00 -1.84 0.00 0.00 35.03 33.58 2gqb n LYS 129 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75