#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gqb s SER 2 N 0.00 -0.54 0.34 6.12 0.01 -1.26 -4.87 113.70 113.50 2gqb s SER 2 Ca 0.00 -0.14 0.06 0.00 1.31 0.00 0.00 55.95 57.19 2gqb s SER 2 Cb 0.00 0.94 0.63 0.00 0.21 0.00 0.00 66.02 67.80 2gqb s SER 2 CO 0.00 -0.08 1.85 0.40 0.41 0.00 0.00 173.24 175.83 2gqb h ILE 3 N 4.07 1.21 0.00 1.44 2.04 -1.91 -1.42 117.51 122.94 2gqb h ILE 3 Ca -0.05 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 2gqb h ILE 3 Cb 1.21 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 38.47 2gqb h ILE 3 CO -0.05 0.30 -0.03 2.19 0.00 0.00 0.00 178.15 180.55 2gqb h PHE 4 N 0.35 0.00 0.00 1.37 -5.15 -1.95 0.27 116.94 111.83 2gqb h PHE 4 Ca 0.07 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.79 2gqb h PHE 4 Cb 0.44 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.61 2gqb h PHE 4 CO 0.01 0.03 -0.51 0.78 -2.00 0.00 0.00 178.31 176.62 2gqb h GLY 5 N 0.12 0.00 0.83 6.09 0.00 -1.63 -2.92 103.07 105.57 2gqb h GLY 5 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 2gqb h GLY 5 CO 0.00 0.00 -0.89 0.50 0.00 0.00 0.00 176.54 176.16 2gqb h LYS 6 N 0.00 0.39 -0.23 4.80 1.57 -0.68 -3.16 116.57 119.25 2gqb h LYS 6 Ca -0.02 -0.58 -0.15 0.00 -1.87 0.00 0.00 60.65 58.03 2gqb h LYS 6 Cb 1.17 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.68 2gqb h LYS 6 CO 0.02 1.25 -0.47 -0.84 -0.57 0.00 0.00 179.45 178.84 2gqb h ILE 7 N -0.18 1.31 0.00 1.86 3.07 -1.17 -2.90 117.51 119.50 2gqb h ILE 7 Ca -0.15 -1.68 -0.02 0.00 1.55 0.00 0.00 64.86 64.56 2gqb h ILE 7 Cb 1.66 1.64 -0.00 0.00 -0.27 0.00 0.00 36.82 39.84 2gqb h ILE 7 CO 0.17 0.53 -0.12 0.00 -1.05 0.00 0.00 178.15 177.68 2gqb h MET 8 N 0.49 0.00 0.00 0.16 -0.00 -1.62 -2.00 114.93 111.96 2gqb h MET 8 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.73 2gqb h MET 8 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.61 2gqb h MET 8 CO 0.09 0.12 0.00 0.77 -0.00 0.00 0.00 176.91 177.89 2gqb h SER 9 N 0.00 0.00 0.05 -0.10 0.02 -1.47 0.34 113.55 112.39 2gqb h SER 9 Ca -0.00 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.57 2gqb h SER 9 Cb 0.55 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.04 2gqb h SER 9 CO 0.02 0.00 -2.29 0.00 -1.14 0.00 0.00 176.83 173.42 2gqb n ALA 10 N -1.93 1.22 0.20 3.77 0.00 -0.79 -3.86 120.51 119.12 2gqb n ALA 10 Ca 0.02 -0.91 -0.14 0.00 0.00 0.00 0.00 53.44 52.40 2gqb n ALA 10 Cb 0.28 -0.31 -0.08 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.02 0.64 -0.06 0.00 2.04 -1.26 -2.75 117.51 116.11 2gqb h ILE 11 Ca -0.52 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 64.98 2gqb h ILE 11 Cb 1.93 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 2gqb h ILE 11 CO -0.04 0.07 0.00 0.49 0.00 0.00 0.00 178.15 178.67 2gqb n PHE 12 N -5.22 0.10 0.52 1.37 3.01 0.09 -2.97 117.46 114.37 2gqb n PHE 12 Ca -0.10 -0.04 0.12 0.00 1.01 0.00 0.00 57.45 58.43 2gqb n PHE 12 Cb 0.26 -0.03 0.17 0.00 -0.01 0.00 0.00 39.48 39.87 2gqb n PHE 12 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2gqb h GLY 13 N 5.63 0.00 -6.79 1.37 0.00 -1.59 -3.44 103.07 98.24 2gqb h GLY 13 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 2gqb h GLY 13 CO 0.01 0.00 0.69 -0.35 0.00 0.00 0.00 176.54 176.89 2gqb s ASP 14 N -4.42 6.56 0.00 0.19 2.15 -1.16 -4.74 116.67 115.26 2gqb s ASP 14 Ca 0.06 0.27 0.00 0.00 0.43 0.00 0.00 52.55 53.31 2gqb s ASP 14 Cb 0.13 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 2gqb s ASP 14 CO 0.72 -1.09 0.01 -1.20 -0.17 0.00 0.00 175.17 173.44 2gqb n SER 15 N 7.32 0.02 -0.29 -0.34 7.64 -1.26 -4.85 113.62 121.86 2gqb n SER 15 Ca 0.08 -0.32 0.00 0.00 1.01 0.00 0.00 58.87 59.64 2gqb n SER 15 Cb 0.49 0.58 0.00 0.00 -1.01 0.00 0.00 64.21 64.27 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 -0.58 1.53 -0.10 -0.43 0.00 -1.26 -4.87 120.51 114.81 2gqb n ALA 16 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 2gqb n ALA 16 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 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 0.00 1.15 -0.93 0.00 0.00 -1.26 -4.97 120.51 114.50 2gqb n ALA 17 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.55 2gqb n ALA 17 Cb 0.48 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 -3.46 2.07 -1.23 0.00 0.00 -1.26 -5.17 120.51 111.46 2gqb n ALA 18 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2gqb n ALA 18 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.38 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 -1.10 -6.82 -4.58 0.00 7.64 -1.26 -4.77 113.62 102.73 2gqb n SER 19 Ca 0.00 1.06 -0.41 0.00 1.01 0.00 0.00 58.87 60.53 2gqb n SER 19 Cb 0.00 -3.54 -0.03 0.00 -1.01 0.00 0.00 64.21 59.63 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 -4.43 3.09 0.00 1.43 0.04 -1.26 -4.81 135.00 129.06 2gqb s PRO 20 Ca 0.00 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.09 2gqb s PRO 20 Cb 0.00 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.29 2gqb s PRO 20 CO 0.00 -2.16 0.00 0.41 0.04 0.00 0.00 177.00 175.29 2gqb n GLY 21 N 5.49 -0.80 0.00 0.56 0.00 -1.26 -5.13 105.19 104.05 2gqb n GLY 21 Ca 0.21 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 45.09 2gqb n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gqb n GLY 22 N 0.00 1.14 3.06 -0.02 0.00 -1.26 -5.03 105.19 103.08 2gqb n GLY 22 Ca 0.00 -0.64 -0.15 0.00 0.00 0.00 0.00 46.02 45.23 2gqb n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gqb n ALA 23 N -1.00 -2.79 -3.21 4.61 0.00 -1.26 -5.00 120.51 111.86 2gqb n ALA 23 Ca 0.00 0.81 -0.35 0.00 0.00 0.00 0.00 53.44 53.90 2gqb n ALA 23 Cb 0.00 -3.09 -0.13 0.00 0.00 0.00 0.00 19.45 16.23 2gqb n ALA 23 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2gqb s GLN 24 N -2.71 3.52 0.12 0.00 -2.07 -1.26 -5.11 119.66 112.16 2gqb s GLN 24 Ca 0.24 -0.57 -0.04 0.00 -1.82 0.00 0.00 55.36 53.17 2gqb s GLN 24 Cb -0.05 -3.00 -0.05 0.00 -1.09 0.00 0.00 33.01 28.81 2gqb s GLN 24 CO 0.80 -0.02 0.34 0.00 -1.32 0.00 0.00 175.29 175.09 2gqb s ALA 25 N 1.04 3.83 -0.24 2.60 0.00 -1.26 -5.04 121.76 122.70 2gqb s ALA 25 Ca 0.01 -0.61 -0.29 0.00 0.00 0.00 0.00 51.96 51.08 2gqb s ALA 25 Cb -0.15 -2.08 -0.03 0.00 0.00 0.00 0.00 23.12 20.86 2gqb s ALA 25 CO 0.01 0.70 1.85 -1.25 0.00 0.00 0.00 175.76 177.07 2gqb s PRO 26 N -2.57 3.51 0.32 0.00 0.04 -1.26 -4.99 135.00 130.04 2gqb s PRO 26 Ca 0.39 1.75 0.04 0.00 0.04 0.00 0.00 61.00 63.22 2gqb s PRO 26 Cb -0.12 -4.18 -0.02 0.00 0.04 0.00 0.00 34.50 30.21 2gqb s PRO 26 CO 0.25 -1.66 0.47 0.00 0.04 0.00 0.00 177.00 176.10 2gqb s ALA 27 N 6.46 3.98 -1.45 8.56 0.00 -1.26 -4.38 121.76 133.67 2gqb s ALA 27 Ca 0.83 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 51.55 2gqb s ALA 27 Cb -0.28 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.02 2gqb s ALA 27 CO 0.33 0.02 0.00 2.41 0.00 0.00 0.00 175.76 178.53 2gqb n THR 28 N -1.64 -0.60 0.00 0.00 -1.04 -1.24 -4.94 114.28 104.83 2gqb n THR 28 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 2gqb n THR 28 Cb 0.57 -2.25 0.00 0.00 -1.82 0.00 0.00 70.33 66.83 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 -3.69 0.00 -1.54 12.58 -2.24 -1.26 -4.71 114.28 113.42 2gqb n THR 29 Ca -0.18 0.47 0.05 0.00 -2.27 0.00 0.00 64.05 62.12 2gqb n THR 29 Cb 0.62 -1.30 0.08 0.00 -2.10 0.00 0.00 70.33 67.63 2gqb n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gqb n GLY 30 N 1.91 2.96 3.64 3.38 0.00 -1.26 -5.07 105.19 110.76 2gqb n GLY 30 Ca 0.00 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 2gqb n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gqb s ALA 31 N -1.61 -0.98 0.27 4.61 0.00 -1.26 -5.14 121.76 117.64 2gqb s ALA 31 Ca 0.20 -0.30 -0.30 0.00 0.00 0.00 0.00 51.96 51.56 2gqb s ALA 31 Cb 0.18 0.89 -0.11 0.00 0.00 0.00 0.00 23.12 24.08 2gqb s ALA 31 CO 0.00 -0.89 1.52 0.00 0.00 0.00 0.00 175.76 176.39 2gqb s ALA 32 N -3.90 3.69 -0.50 0.00 0.00 -1.26 -3.62 121.76 116.16 2gqb s ALA 32 Ca 0.11 1.45 0.08 0.00 0.00 0.00 0.00 51.96 53.60 2gqb s ALA 32 Cb -0.03 -3.60 0.31 0.00 0.00 0.00 0.00 23.12 19.80 2gqb s ALA 32 CO 0.02 -0.86 0.78 0.41 0.00 0.00 0.00 175.76 176.10 2gqb n GLY 33 N 2.23 4.43 0.16 0.00 0.00 -1.26 -4.68 105.19 106.07 2gqb n GLY 33 Ca 0.08 -2.27 -0.06 0.00 0.00 0.00 0.00 46.02 43.76 2gqb n GLY 33 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2gqb h THR 34 N 2.28 1.41 -1.68 2.61 2.02 -2.02 -3.45 112.91 114.10 2gqb h THR 34 Ca 0.13 -2.16 0.04 0.00 0.77 0.00 0.00 66.41 65.18 2gqb h THR 34 Cb 0.73 2.13 -0.02 0.00 -1.74 0.00 0.00 68.15 69.25 2gqb h THR 34 CO 0.67 0.64 -0.48 0.00 0.37 0.00 0.00 175.52 176.72 2gqb n ALA 35 N -2.47 -1.30 -2.32 6.16 0.00 -1.26 -4.73 120.51 114.58 2gqb n ALA 35 Ca -0.03 0.27 -0.41 0.00 0.00 0.00 0.00 53.44 53.28 2gqb n ALA 35 Cb 0.67 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 19.21 2gqb n ALA 35 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2gqb s PRO 36 N -4.39 3.08 -1.17 0.00 0.04 -1.26 -4.94 135.00 126.35 2gqb s PRO 36 Ca 0.00 0.34 -0.19 0.00 0.04 0.00 0.00 61.00 61.19 2gqb s PRO 36 Cb 0.00 -4.22 0.08 0.00 0.04 0.00 0.00 34.50 30.40 2gqb s PRO 36 CO 0.00 -2.22 1.57 0.95 0.04 0.00 0.00 177.00 177.34 2gqb s THR 37 N 6.88 4.18 -0.35 1.26 -4.23 -1.26 -4.92 115.64 117.20 2gqb s THR 37 Ca 0.53 -1.58 0.02 0.00 -1.18 0.00 0.00 61.69 59.47 2gqb s THR 37 Cb -0.11 -5.10 0.10 0.00 1.34 0.00 0.00 72.50 68.73 2gqb s THR 37 CO 0.21 -1.93 0.08 0.00 -0.54 0.00 0.00 174.62 172.45 2gqb s ALA 38 N 4.11 2.95 0.40 3.99 0.00 -1.26 -5.10 121.76 126.84 2gqb s ALA 38 Ca 0.49 -2.45 -0.25 0.00 0.00 0.00 0.00 51.96 49.74 2gqb s ALA 38 Cb 0.01 -2.07 -0.09 0.00 0.00 0.00 0.00 23.12 20.98 2gqb s ALA 38 CO 0.00 -1.67 1.16 -1.25 0.00 0.00 0.00 175.76 174.00 2gqb s PRO 39 N 1.00 4.08 -0.13 0.00 0.04 -1.26 -5.05 135.00 133.68 2gqb s PRO 39 Ca 0.08 1.82 -0.23 0.00 0.04 0.00 0.00 61.00 62.71 2gqb s PRO 39 Cb -0.20 -2.69 0.06 0.00 0.04 0.00 0.00 34.50 31.71 2gqb s PRO 39 CO -0.06 -0.29 0.58 1.14 0.04 0.00 0.00 177.00 178.40 2gqb s GLN 40 N -2.28 0.82 0.06 4.56 -2.07 -1.26 -5.13 119.66 114.36 2gqb s GLN 40 Ca 0.57 0.45 -0.30 0.00 -1.82 0.00 0.00 55.36 54.25 2gqb s GLN 40 Cb -0.30 0.39 -0.09 0.00 -1.09 0.00 0.00 33.01 31.92 2gqb s GLN 40 CO 0.38 -0.19 1.88 -2.14 -1.32 0.00 0.00 175.29 173.90 2gqb s PRO 41 N -0.51 4.15 -1.11 9.60 0.02 -1.26 -4.91 135.00 140.98 2gqb s PRO 41 Ca -0.06 2.55 -0.19 0.00 0.02 0.00 0.00 61.00 63.32 2gqb s PRO 41 Cb -0.03 -3.94 0.09 0.00 0.02 0.00 0.00 34.50 30.64 2gqb s PRO 41 CO 0.05 -0.90 1.46 0.99 -0.33 0.00 0.00 177.00 178.27 2gqb s THR 42 N 3.79 4.33 0.34 0.99 2.01 -1.26 -4.96 115.64 120.88 2gqb s THR 42 Ca 0.84 -1.56 0.07 0.00 0.31 0.00 0.00 61.69 61.35 2gqb s THR 42 Cb -0.43 -5.02 -0.03 0.00 0.01 0.00 0.00 72.50 67.04 2gqb s THR 42 CO 0.38 -1.82 0.29 0.00 -0.69 0.00 0.00 174.62 172.78 2gqb s ALA 43 N 3.73 3.84 -0.46 7.40 0.00 -1.26 -5.04 121.76 129.97 2gqb s ALA 43 Ca 0.45 -1.68 0.04 0.00 0.00 0.00 0.00 51.96 50.77 2gqb s ALA 43 Cb -0.00 -1.14 0.16 0.00 0.00 0.00 0.00 23.12 22.14 2gqb s ALA 43 CO -0.03 -0.01 0.35 0.00 0.00 0.00 0.00 175.76 176.06 2gqb s ALA 44 N -2.32 1.88 -2.02 0.00 0.00 -1.26 -4.92 121.76 113.12 2gqb s ALA 44 Ca 0.41 -2.67 0.11 0.00 0.00 0.00 0.00 51.96 49.82 2gqb s ALA 44 Cb -0.05 -1.73 0.33 0.00 0.00 0.00 0.00 23.12 21.67 2gqb s ALA 44 CO 0.26 -2.02 1.27 -0.35 0.00 0.00 0.00 175.76 174.93 2gqb n PRO 45 N 2.87 1.79 -3.47 0.00 -0.04 -1.26 -4.65 135.00 130.24 2gqb n PRO 45 Ca 0.24 -1.23 -0.19 0.00 -0.04 0.00 0.00 63.50 62.28 2gqb n PRO 45 Cb 0.43 -1.28 -0.12 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.03 1.66 -0.38 3.54 0.01 -1.26 -5.06 113.70 111.17 2gqb s SER 46 Ca 0.24 -0.47 -0.07 0.00 1.31 0.00 0.00 55.95 56.95 2gqb s SER 46 Cb 0.12 0.36 0.07 0.00 0.21 0.00 0.00 66.02 66.78 2gqb s SER 46 CO 0.16 -0.36 0.18 -0.63 0.41 0.00 0.00 173.24 173.01 2gqb s ILE 47 N 2.32 3.91 -0.42 1.44 -1.09 -1.21 -5.00 121.20 121.15 2gqb s ILE 47 Ca 0.08 -1.36 -0.21 0.00 -2.23 0.00 0.00 60.65 56.93 2gqb s ILE 47 Cb -0.15 -3.35 0.02 0.00 -1.58 0.00 0.00 42.46 37.40 2gqb s ILE 47 CO -0.21 -0.38 0.64 -0.62 -1.23 0.00 0.00 174.94 173.14 2gqb s ASP 48 N 1.77 6.34 0.47 3.58 2.15 -1.26 0.97 116.67 130.68 2gqb s ASP 48 Ca 0.02 -0.25 0.28 0.00 0.43 0.00 0.00 52.55 53.03 2gqb s ASP 48 Cb -0.21 -2.32 0.86 0.00 -0.30 0.00 0.00 42.92 40.94 2gqb s ASP 48 CO 0.02 -0.75 1.79 0.58 -0.17 0.00 0.00 175.17 176.64 2gqb h VAL 49 N 5.84 0.00 0.62 1.11 2.07 -0.99 -3.34 116.25 121.56 2gqb h VAL 49 Ca -0.26 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 2gqb h VAL 49 Cb 1.10 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 2gqb h VAL 49 CO 0.88 0.00 -0.46 0.00 0.02 0.00 0.00 177.57 178.01 2gqb h ALA 50 N 2.04 -1.20 -0.28 1.67 0.00 -1.91 -1.75 119.26 117.84 2gqb h ALA 50 Ca 0.00 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 2gqb h ALA 50 Cb 0.74 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 2gqb h ALA 50 CO 0.00 -1.18 -0.17 -1.00 0.00 0.00 0.00 179.25 176.90 2gqb h PRO 51 N -1.03 0.49 -0.36 0.00 0.13 -1.95 -0.89 132.00 128.38 2gqb h PRO 51 Ca -0.08 -0.16 -0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2gqb h PRO 51 Cb 0.85 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 2gqb h PRO 51 CO 0.03 0.65 0.22 0.82 -0.23 0.00 0.00 178.00 179.49 2gqb h ILE 52 N 0.45 1.11 0.11 -3.56 2.04 -1.64 -2.42 117.51 113.60 2gqb h ILE 52 Ca 0.08 -0.26 -0.31 0.00 1.00 0.00 0.00 64.86 65.37 2gqb h ILE 52 Cb 0.55 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 2gqb h ILE 52 CO 0.04 0.11 -1.67 -0.07 0.00 0.00 0.00 178.15 176.56 2gqb h LEU 53 N 0.47 0.35 -0.83 1.44 3.38 -1.25 -3.03 115.31 115.84 2gqb h LEU 53 Ca 0.13 -0.84 0.02 0.00 0.09 0.00 0.00 57.88 57.27 2gqb h LEU 53 Cb -0.01 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2gqb h LEU 53 CO -0.03 1.72 0.54 -0.78 0.09 0.00 0.00 178.44 179.98 2gqb h ASP 54 N -0.23 0.92 0.85 -0.43 3.58 -1.22 0.51 116.42 120.40 2gqb h ASP 54 Ca -0.37 -0.02 -0.23 0.00 0.42 0.00 0.00 57.03 56.83 2gqb h ASP 54 Cb 1.83 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 42.64 2gqb h ASP 54 CO 0.03 0.66 -1.09 0.11 -2.88 0.00 0.00 179.24 176.07 2gqb h LYS 55 N 1.09 0.11 0.00 0.28 1.79 -1.60 -2.96 116.57 115.28 2gqb h LYS 55 Ca 0.31 -0.18 -0.04 0.00 -2.18 0.00 0.00 60.65 58.56 2gqb h LYS 55 Cb -0.08 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 2gqb h LYS 55 CO -0.08 1.08 -0.21 0.00 -1.08 0.00 0.00 179.45 179.16 2gqb h ALA 56 N 0.84 1.54 0.41 3.86 0.00 -1.32 -1.63 119.26 122.97 2gqb h ALA 56 Ca -0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2gqb h ALA 56 Cb 1.84 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.58 2gqb h ALA 56 CO 0.16 0.26 -0.34 0.28 0.00 0.00 0.00 179.25 179.60 2gqb h VAL 57 N 0.00 0.30 0.00 0.00 2.07 -0.73 -0.30 116.25 117.58 2gqb h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2gqb h VAL 57 Cb 0.39 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2gqb h VAL 57 CO 0.03 0.00 0.00 2.29 0.02 0.00 0.00 177.57 179.91 2gqb n LYS 58 N -5.46 0.39 0.07 1.57 0.00 -1.09 -1.43 118.16 112.21 2gqb n LYS 58 Ca -0.10 0.03 0.12 0.00 -0.00 0.00 0.00 58.31 58.36 2gqb n LYS 58 Cb 0.36 -1.50 0.19 0.00 -0.00 0.00 0.00 35.03 34.08 2gqb n LYS 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2gqb h ALA 59 N 3.26 0.62 0.16 0.58 0.00 -0.72 -3.30 119.26 119.86 2gqb h ALA 59 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 2gqb h ALA 59 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2gqb h ALA 59 CO 0.00 0.00 -1.61 -0.22 0.00 0.00 0.00 179.25 177.42 2gqb h LYS 60 N 0.00 0.33 0.00 0.00 1.63 0.13 -3.50 116.57 115.16 2gqb h LYS 60 Ca 0.00 -0.57 0.00 0.00 -0.85 0.00 0.00 60.65 59.23 2gqb h LYS 60 Cb 0.76 0.21 0.00 0.00 -0.60 0.00 0.00 32.23 32.60 2gqb h LYS 60 CO 0.00 1.23 0.00 0.41 -3.45 0.00 0.00 179.45 177.64 2gqb n GLY 61 N 1.75 0.18 4.01 5.01 0.00 -1.06 -5.12 105.19 109.96 2gqb n GLY 61 Ca -0.20 0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 2.27 -0.55 1.61 -1.05 -1.26 -4.81 118.70 114.91 2gqb s GLU 62 Ca 0.00 -1.73 -0.28 0.00 -0.15 0.00 0.00 54.97 52.81 2gqb s GLU 62 Cb 0.00 -2.54 0.02 0.00 -0.44 0.00 0.00 34.13 31.17 2gqb s GLU 62 CO 0.00 -0.85 1.28 0.21 0.95 0.00 0.00 175.26 176.85 2gqb s LYS 63 N -4.62 3.46 0.13 -4.83 2.36 -1.26 -4.19 119.74 110.80 2gqb s LYS 63 Ca 0.57 0.40 0.04 0.00 -2.55 0.00 0.00 55.97 54.42 2gqb s LYS 63 Cb -0.05 -4.04 -0.04 0.00 -1.05 0.00 0.00 37.83 32.65 2gqb s LYS 63 CO 0.36 -1.74 0.15 -0.51 1.55 0.00 0.00 175.35 175.16 2gqb s LEU 64 N 5.33 3.93 -0.49 5.43 1.43 -1.26 -5.09 118.68 127.95 2gqb s LEU 64 Ca 0.48 -0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.59 2gqb s LEU 64 Cb -0.09 -2.55 0.14 0.00 0.03 0.00 0.00 46.19 43.72 2gqb s LEU 64 CO 0.26 0.10 0.28 -0.70 0.23 0.00 0.00 176.35 176.53 2gqb s GLU 65 N -2.89 1.57 0.16 1.70 2.56 -1.26 -4.92 118.70 115.62 2gqb s GLU 65 Ca 0.31 -2.32 0.21 0.00 0.00 0.00 0.00 54.97 53.17 2gqb s GLU 65 Cb -0.11 -2.63 0.87 0.00 2.00 0.00 0.00 34.13 34.26 2gqb s GLU 65 CO 0.24 -1.18 1.65 -2.67 -0.56 0.00 0.00 175.26 172.74 2gqb n TRP 66 N 3.20 0.53 0.22 5.30 4.27 -1.26 -1.06 117.44 128.63 2gqb n TRP 66 Ca 0.11 0.20 0.08 0.00 -3.89 0.00 0.00 57.50 54.00 2gqb n TRP 66 Cb 0.35 -0.82 0.50 0.00 -1.36 0.00 0.00 31.31 29.97 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 0.00 0.00 -2.67 3.08 -1.96 -3.38 114.38 109.45 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 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2gqb h ARG 67 CO 0.00 0.26 -0.99 0.25 -1.07 0.00 0.00 179.97 178.42 2gqb n THR 68 N -3.69 0.00 -3.36 2.04 -2.24 -1.03 -4.79 114.28 101.21 2gqb n THR 68 Ca -0.01 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.39 2gqb n THR 68 Cb 0.38 -1.37 -0.06 0.00 -2.10 0.00 0.00 70.33 67.17 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 -4.88 6.72 -0.08 3.42 0.01 -0.23 -4.73 113.70 113.94 2gqb s SER 69 Ca 0.00 0.86 0.02 0.00 1.31 0.00 0.00 55.95 58.14 2gqb s SER 69 Cb 0.00 -2.28 -0.25 0.00 0.21 0.00 0.00 66.02 63.70 2gqb s SER 69 CO 0.00 0.09 0.54 -0.29 0.41 0.00 0.00 173.24 173.98 2gqb h ILE 70 N 4.44 0.76 0.00 1.44 6.09 -1.86 -3.28 117.51 125.10 2gqb h ILE 70 Ca -0.44 -2.53 -0.03 0.00 -1.37 0.00 0.00 64.86 60.49 2gqb h ILE 70 Cb 1.19 2.49 -0.00 0.00 0.47 0.00 0.00 36.82 40.97 2gqb h ILE 70 CO 0.72 0.72 -0.16 0.58 -3.07 0.00 0.00 178.15 176.94 2gqb h VAL 71 N 0.04 0.49 0.65 2.19 2.07 -1.93 -3.02 116.25 116.74 2gqb h VAL 71 Ca -0.35 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.31 2gqb h VAL 71 Cb 2.03 1.57 0.01 0.00 -1.52 0.00 0.00 31.29 33.37 2gqb h VAL 71 CO 0.09 0.16 -0.31 -0.78 0.02 0.00 0.00 177.57 176.75 2gqb h ASP 72 N 0.00 -0.74 0.27 0.57 1.82 -1.90 -3.09 116.42 113.35 2gqb h ASP 72 Ca -0.00 0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 56.63 2gqb h ASP 72 Cb 0.56 0.19 -0.00 0.00 0.68 0.00 0.00 39.33 40.76 2gqb h ASP 72 CO 0.02 -0.47 -0.15 0.17 -1.61 0.00 0.00 179.24 177.21 2gqb h LEU 73 N -0.99 0.00 -0.09 2.28 8.10 -1.62 -2.80 115.31 120.19 2gqb h LEU 73 Ca -0.09 0.00 0.01 0.00 0.11 0.00 0.00 57.88 57.92 2gqb h LEU 73 Cb 0.67 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.87 2gqb h LEU 73 CO 0.15 0.15 0.00 -0.03 -4.11 0.00 0.00 178.44 174.60 2gqb h MET 74 N 0.00 0.04 0.00 0.17 4.05 -1.49 -2.30 114.93 115.39 2gqb h MET 74 Ca -0.00 -0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.33 2gqb h MET 74 Cb 0.32 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 2gqb h MET 74 CO 0.02 0.02 -0.39 1.57 0.23 0.00 0.00 176.91 178.36 2gqb h LYS 75 N 0.04 0.00 -0.30 0.39 2.10 -1.42 -2.98 116.57 114.40 2gqb h LYS 75 Ca 0.04 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.69 2gqb h LYS 75 Cb 0.05 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.36 2gqb h LYS 75 CO -0.07 0.39 0.18 0.00 -2.00 0.00 0.00 179.45 177.95 2gqb h ALA 76 N 1.61 0.38 0.00 0.07 0.00 -1.34 0.11 119.26 120.10 2gqb h ALA 76 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2gqb h ALA 76 Cb 0.74 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2gqb h ALA 76 CO 0.05 -0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.46 2gqb n LEU 77 N -4.85 0.00 -1.46 0.00 7.99 -1.04 -4.85 117.00 112.79 2gqb n LEU 77 Ca -0.01 0.18 0.00 0.00 -0.01 0.00 0.00 56.01 56.17 2gqb n LEU 77 Cb 0.05 -0.18 0.00 0.00 -0.11 0.00 0.00 43.42 43.18 2gqb n LEU 77 CO 0.35 -0.07 0.00 -0.67 -1.51 0.00 0.00 177.39 175.49 2gqb n ASP 78 N -1.18 -1.95 -4.29 -1.43 2.03 0.39 -5.02 116.55 105.10 2gqb n ASP 78 Ca 0.11 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.24 2gqb n ASP 78 Cb 0.12 -0.97 -0.11 0.00 -0.72 0.00 0.00 41.12 39.44 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 -0.56 1.51 0.21 5.18 -1.09 -1.14 -4.98 121.20 120.34 2gqb s ILE 79 Ca 0.00 -1.97 -0.17 0.00 -2.23 0.00 0.00 60.65 56.28 2gqb s ILE 79 Cb 0.00 -1.80 0.21 0.00 -1.58 0.00 0.00 42.46 39.29 2gqb s ILE 79 CO 0.00 -0.52 1.59 -0.78 -1.23 0.00 0.00 174.94 174.00 2gqb h ASP 80 N 3.03 -0.96 -0.36 3.58 3.58 -1.95 -3.43 116.42 119.91 2gqb h ASP 80 Ca -0.39 0.23 -0.16 0.00 0.42 0.00 0.00 57.03 57.13 2gqb h ASP 80 Cb 1.20 0.53 -0.06 0.00 1.72 0.00 0.00 39.33 42.73 2gqb h ASP 80 CO 0.57 -0.28 -0.14 -1.20 -2.88 0.00 0.00 179.24 175.31 2gqb n SER 81 N -5.46 -4.67 -0.77 2.28 7.64 -1.26 -4.98 113.62 106.40 2gqb n SER 81 Ca 0.07 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2gqb n SER 81 Cb 0.37 -2.85 0.00 0.00 -1.01 0.00 0.00 64.21 60.72 2gqb n SER 81 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2gqb n SER 82 N -0.30 0.00 -0.20 6.43 2.88 -1.26 -4.84 113.62 116.34 2gqb n SER 82 Ca -0.08 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.37 2gqb n SER 82 Cb 0.38 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.85 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 0.95 -0.26 2.46 7.12 -1.98 -2.41 115.31 121.19 2gqb h LEU 83 Ca 0.00 -0.30 0.00 0.00 0.13 0.00 0.00 57.88 57.71 2gqb h LEU 83 Cb 0.00 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 39.86 2gqb h LEU 83 CO 0.00 1.02 0.16 -1.28 -0.13 0.00 0.00 178.44 178.21 2gqb h SER 84 N 0.86 0.31 0.10 1.25 0.87 -1.99 0.10 113.55 115.05 2gqb h SER 84 Ca 0.16 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 2gqb h SER 84 Cb 0.52 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 2gqb h SER 84 CO 0.02 0.25 -0.05 0.00 -0.53 0.00 0.00 176.83 176.53 2gqb h ALA 85 N 1.07 -0.14 -0.03 6.23 0.00 -1.91 -2.24 119.26 122.24 2gqb h ALA 85 Ca 0.09 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2gqb h ALA 85 Cb -0.01 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2gqb h ALA 85 CO -0.02 -0.51 0.03 0.00 0.00 0.00 0.00 179.25 178.75 2gqb h ARG 86 N -0.27 0.00 0.18 0.00 3.08 -1.30 -2.47 114.38 113.60 2gqb h ARG 86 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2gqb h ARG 86 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2gqb h ARG 86 CO 0.02 0.00 -0.08 -0.22 -1.07 0.00 0.00 179.97 178.62 2gqb h LYS 87 N 0.00 -0.23 -0.41 0.04 1.63 -0.45 -2.43 116.57 114.72 2gqb h LYS 87 Ca 0.01 0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 59.74 2gqb h LYS 87 Cb 0.07 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 2gqb h LYS 87 CO -0.00 0.19 -0.11 1.05 -3.45 0.00 0.00 179.45 177.13 2gqb h GLU 88 N -0.82 0.74 -0.72 1.90 4.11 -1.18 -0.64 114.58 117.97 2gqb h GLU 88 Ca -0.02 -0.24 -0.05 0.00 0.07 0.00 0.00 59.36 59.12 2gqb h GLU 88 Cb 0.52 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 2gqb h GLU 88 CO 0.04 0.82 0.25 1.25 0.07 0.00 0.00 179.01 181.44 2gqb h LEU 89 N 0.67 1.02 -0.29 3.06 5.85 -1.54 -2.93 115.31 121.15 2gqb h LEU 89 Ca 0.12 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 2gqb h LEU 89 Cb 0.57 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2gqb h LEU 89 CO 0.04 0.94 -0.12 0.00 -0.34 0.00 0.00 178.44 178.95 2gqb h ALA 90 N 1.12 0.41 -0.85 1.25 0.00 -0.93 -3.01 119.26 117.25 2gqb h ALA 90 Ca 0.23 -0.31 0.12 0.00 0.00 0.00 0.00 54.91 54.95 2gqb h ALA 90 Cb 0.26 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 2gqb h ALA 90 CO -0.01 0.28 0.47 0.87 0.00 0.00 0.00 179.25 180.86 2gqb h LYS 91 N 0.36 0.72 -0.00 0.00 1.57 -1.00 0.53 116.57 118.74 2gqb h LYS 91 Ca 0.07 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.68 2gqb h LYS 91 Cb 0.63 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2gqb h LYS 91 CO 0.04 0.47 -0.61 0.93 -0.57 0.00 0.00 179.45 179.71 2gqb h GLU 92 N 0.74 0.01 0.00 3.15 4.39 -1.49 -3.20 114.58 118.17 2gqb h GLU 92 Ca 0.43 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.12 2gqb h GLU 92 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2gqb h GLU 92 CO -0.30 0.62 -1.30 1.28 -1.16 0.00 0.00 179.01 178.15 2gqb n LEU 93 N -3.82 0.52 0.00 1.33 4.77 -0.50 -4.96 117.00 114.35 2gqb n LEU 93 Ca -0.01 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2gqb n LEU 93 Cb 0.61 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2gqb n LEU 93 CO 0.42 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 2gqb n GLY 94 N 1.27 2.29 2.74 -0.72 0.00 0.53 -5.01 105.19 106.29 2gqb n GLY 94 Ca -0.01 -0.25 -0.07 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.14 -3.54 1.61 9.36 0.16 -4.85 117.16 116.76 2gqb n TYR 95 Ca 0.00 1.26 -0.29 0.00 3.32 0.00 0.00 57.90 62.19 2gqb n TYR 95 Cb 0.00 -3.86 -0.13 0.00 -0.63 0.00 0.00 39.34 34.72 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 -2.50 3.23 -0.29 2.98 0.01 -1.26 -4.99 113.70 110.88 2gqb s SER 96 Ca 0.21 -2.16 0.05 0.00 1.31 0.00 0.00 55.95 55.35 2gqb s SER 96 Cb -0.06 -0.56 0.20 0.00 0.21 0.00 0.00 66.02 65.81 2gqb s SER 96 CO 0.70 -0.32 0.58 -0.83 0.41 0.00 0.00 173.24 173.77 2gqb s GLY 97 N 1.05 -1.18 0.00 3.44 0.00 -1.26 -4.82 107.32 104.55 2gqb s GLY 97 Ca 0.17 1.09 0.00 0.00 0.00 0.00 0.00 44.72 45.97 2gqb s GLY 97 CO -0.04 3.60 0.00 1.34 0.00 0.00 0.00 173.10 177.99 2gqb n ASP 98 N 5.42 0.00 -0.45 1.64 2.03 -1.26 -4.93 116.55 118.99 2gqb n ASP 98 Ca 0.04 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.47 2gqb n ASP 98 Cb 0.53 0.03 0.49 0.00 -0.72 0.00 0.00 41.12 41.45 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 -1.20 1.61 0.00 -0.67 0.00 -1.26 -3.60 117.12 112.00 2gqb n MET 99 Ca 0.00 -0.90 0.12 0.00 0.00 0.00 0.00 57.70 56.92 2gqb n MET 99 Cb 0.00 -1.44 0.22 0.00 0.00 0.00 0.00 33.22 32.00 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 0.11 2.14 -1.29 3.17 6.94 -1.26 -5.07 115.26 120.00 2gqb n ASN 100 Ca 0.18 -1.62 0.17 0.00 -0.02 0.00 0.00 54.58 53.29 2gqb n ASN 100 Cb 0.31 0.13 -0.05 0.00 -2.36 0.00 0.00 39.78 37.81 2gqb n ASN 100 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2gqb n ASP 101 N 0.48 -7.73 0.30 0.53 2.03 -1.24 -2.33 116.55 108.58 2gqb n ASP 101 Ca 0.14 0.75 0.18 0.00 0.52 0.00 0.00 54.79 56.38 2gqb n ASP 101 Cb 0.48 -4.07 0.91 0.00 -0.72 0.00 0.00 41.12 37.72 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 -1.22 0.00 0.21 1.67 0.02 -1.97 -2.59 113.55 109.66 2gqb h SER 102 Ca -0.03 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2gqb h SER 102 Cb 1.20 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.70 2gqb h SER 102 CO 0.03 0.03 -0.51 0.00 -1.14 0.00 0.00 176.83 175.24 2gqb h ALA 103 N 1.97 -0.99 0.00 3.77 0.00 -2.01 0.14 119.26 122.14 2gqb h ALA 103 Ca -0.00 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 2gqb h ALA 103 Cb 0.26 0.83 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2gqb h ALA 103 CO 0.00 -1.12 -0.93 0.77 0.00 0.00 0.00 179.25 177.97 2gqb h SER 104 N -0.80 0.00 -0.64 0.00 0.02 -1.43 -3.27 113.55 107.43 2gqb h SER 104 Ca -0.01 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.85 2gqb h SER 104 Cb 0.78 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 2gqb h SER 104 CO -0.23 0.93 0.07 -0.03 -1.14 0.00 0.00 176.83 176.43 2gqb h MET 105 N 0.00 1.08 -0.36 3.45 -1.53 -1.22 0.30 114.93 116.65 2gqb h MET 105 Ca -0.01 -0.31 -0.10 0.00 -3.44 0.00 0.00 59.70 55.84 2gqb h MET 105 Cb 1.69 -0.12 -0.02 0.00 -0.55 0.00 0.00 31.60 32.61 2gqb h MET 105 CO 0.12 1.01 -0.19 -0.97 0.14 0.00 0.00 176.91 177.02 2gqb h ASN 106 N 0.99 0.68 0.01 1.39 -1.24 -0.81 -2.34 115.58 114.26 2gqb h ASN 106 Ca 0.19 -0.22 -0.00 0.00 0.71 0.00 0.00 56.30 56.97 2gqb h ASN 106 Cb 0.48 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.34 2gqb h ASN 106 CO 0.02 0.87 -0.00 0.40 -1.29 0.00 0.00 177.43 177.43 2gqb h ILE 107 N 0.61 1.57 -0.01 2.57 2.04 -1.53 -2.88 117.51 119.87 2gqb h ILE 107 Ca 0.09 -1.82 -0.00 0.00 1.00 0.00 0.00 64.86 64.14 2gqb h ILE 107 Cb 0.66 2.78 -0.00 0.00 -0.74 0.00 0.00 36.82 39.52 2gqb h ILE 107 CO 0.05 0.46 0.00 -0.25 0.00 0.00 0.00 178.15 178.41 2gqb h TRP 108 N -0.80 0.01 -0.75 1.37 7.01 -0.99 -2.24 115.95 119.56 2gqb h TRP 108 Ca -0.00 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 60.99 2gqb h TRP 108 Cb 0.77 -0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.79 2gqb h TRP 108 CO 0.20 0.14 0.45 1.25 -2.79 0.00 0.00 178.44 177.68 2gqb h LEU 109 N -0.12 0.90 -0.91 0.65 5.85 -1.56 -1.71 115.31 118.41 2gqb h LEU 109 Ca 0.00 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.68 2gqb h LEU 109 Cb 0.13 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 2gqb h LEU 109 CO -0.00 0.69 0.60 -0.74 -0.34 0.00 0.00 178.44 178.65 2gqb h HIS 110 N 1.04 1.16 0.29 1.25 2.76 -1.26 -2.17 115.15 118.21 2gqb h HIS 110 Ca 0.27 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.45 2gqb h HIS 110 Cb -0.04 -0.39 0.00 0.00 1.55 0.00 0.00 27.41 28.53 2gqb h HIS 110 CO 0.00 0.74 -0.14 0.87 -1.30 0.00 0.00 177.93 178.11 2gqb h LYS 111 N 1.24 -0.37 -0.23 5.26 1.57 -0.71 -2.63 116.57 120.70 2gqb h LYS 111 Ca 0.33 0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 59.05 2gqb h LYS 111 Cb -0.13 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2gqb h LYS 111 CO -0.07 -0.20 -0.26 0.37 -0.57 0.00 0.00 179.45 178.72 2gqb h GLN 112 N -0.45 0.44 -0.55 3.15 5.75 -1.33 -2.34 115.11 119.76 2gqb h GLN 112 Ca -0.04 -0.16 -0.02 0.00 -0.15 0.00 0.00 58.65 58.28 2gqb h GLN 112 Cb 0.34 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.84 2gqb h GLN 112 CO 0.06 0.66 0.27 0.28 -2.65 0.00 0.00 178.83 177.46 2gqb h VAL 113 N 0.39 1.20 -0.68 2.39 2.07 -1.37 -2.75 116.25 117.51 2gqb h VAL 113 Ca 0.06 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 67.01 2gqb h VAL 113 Cb 0.66 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2gqb h VAL 113 CO 0.05 0.23 0.44 0.24 0.02 0.00 0.00 177.57 178.55 2gqb h MET 114 N 0.75 0.89 0.00 1.57 2.86 -1.04 -0.62 114.93 119.34 2gqb h MET 114 Ca 0.19 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 2gqb h MET 114 Cb 0.12 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.58 2gqb h MET 114 CO -0.02 0.60 -0.09 1.03 1.06 0.00 0.00 176.91 179.48 2gqb h SER 115 N 0.92 0.00 -0.00 1.22 0.87 -1.18 -0.55 113.55 114.83 2gqb h SER 115 Ca 0.25 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 2gqb h SER 115 Cb -0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 2gqb h SER 115 CO -0.05 0.09 -0.41 0.29 -0.53 0.00 0.00 176.83 176.22 2gqb n LYS 116 N -3.89 1.31 0.00 2.24 4.01 -0.35 -4.27 118.16 117.20 2gqb n LYS 116 Ca -0.02 -1.07 0.00 0.00 -0.51 0.00 0.00 58.31 56.71 2gqb n LYS 116 Cb 0.19 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.23 2gqb n LYS 116 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 2gqb n LEU 117 N 0.09 0.00 0.05 -0.35 7.94 -0.35 -4.71 117.00 119.68 2gqb n LEU 117 Ca 0.10 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.11 2gqb n LEU 117 Cb 0.48 -0.29 0.45 0.00 0.53 0.00 0.00 43.42 44.59 2gqb n LEU 117 CO 0.27 -0.38 0.85 1.33 -1.11 0.00 0.00 177.39 178.35 2gqb n VAL 118 N -2.24 0.63 0.46 1.96 0.24 -0.42 -2.54 118.33 116.42 2gqb n VAL 118 Ca 0.00 0.08 0.10 0.00 -2.04 0.00 0.00 64.34 62.48 2gqb n VAL 118 Cb 0.00 -0.83 0.43 0.00 -1.47 0.00 0.00 33.84 31.97 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 -1.63 1.70 1.64 2.33 0.00 -1.25 -1.26 120.51 122.05 2gqb n ALA 119 Ca 0.04 0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.59 2gqb n ALA 119 Cb 0.28 -1.34 0.38 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.97 0.72 0.00 0.00 3.02 -1.05 -4.79 115.26 111.19 2gqb n ASN 120 Ca 0.03 -1.65 0.00 0.00 -0.03 0.00 0.00 54.58 52.93 2gqb n ASN 120 Cb 0.22 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 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 0.88 1.49 3.72 7.41 0.00 -0.94 -5.04 105.19 112.72 2gqb n GLY 121 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 2.75 -0.04 -0.02 0.00 -0.39 -3.33 107.32 104.28 2gqb s GLY 122 Ca 0.00 0.29 -0.13 0.00 0.00 0.00 0.00 44.72 44.89 2gqb s GLY 122 CO 0.00 1.32 0.33 1.25 0.00 0.00 0.00 173.10 176.00 2gqb s LYS 123 N 0.69 3.81 0.09 2.90 2.36 0.27 -4.73 119.74 125.14 2gqb s LYS 123 Ca 0.42 0.24 0.03 0.00 -2.55 0.00 0.00 55.97 54.11 2gqb s LYS 123 Cb -0.19 -3.23 -0.04 0.00 -1.05 0.00 0.00 37.83 33.32 2gqb s LYS 123 CO 0.22 0.68 -0.09 -0.48 1.55 0.00 0.00 175.35 177.24 2gqb s LEU 124 N -0.95 2.43 0.74 5.43 -0.00 -1.26 -0.29 118.68 124.78 2gqb s LEU 124 Ca 0.21 -0.86 -0.11 0.00 -0.00 0.00 0.00 54.13 53.37 2gqb s LEU 124 Cb -0.15 -0.21 0.04 0.00 -0.00 0.00 0.00 46.19 45.86 2gqb s LEU 124 CO 0.10 -0.33 1.09 -2.84 -0.00 0.00 0.00 176.35 174.37 2gqb s PRO 125 N -3.06 2.48 0.00 1.48 0.02 -1.26 -4.89 135.00 129.78 2gqb s PRO 125 Ca 0.06 1.14 0.00 0.00 0.02 0.00 0.00 61.00 62.23 2gqb s PRO 125 Cb -0.01 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.59 2gqb s PRO 125 CO -0.01 -1.47 0.57 -2.30 -0.33 0.00 0.00 177.00 173.46 2gqb n PRO 126 N -3.30 0.43 -0.07 5.54 -0.02 -1.26 -2.59 135.00 133.73 2gqb n PRO 126 Ca 0.09 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.50 2gqb n PRO 126 Cb 0.53 -1.29 -0.11 0.00 -0.02 0.00 0.00 33.50 32.62 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 1.13 1.74 -3.66 -0.52 1.02 -1.26 -4.88 120.64 114.21 2gqb n GLU 127 Ca 0.00 -0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.77 2gqb n GLU 127 Cb 0.21 -1.35 -0.08 0.00 -0.02 0.00 0.00 31.44 30.21 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 -2.33 4.09 0.00 -3.67 1.09 -1.07 -4.92 121.20 114.39 2gqb s ILE 128 Ca -0.07 -3.37 0.00 0.00 -1.10 0.00 0.00 60.65 56.11 2gqb s ILE 128 Cb 0.04 -3.59 0.00 0.00 -1.06 0.00 0.00 42.46 37.85 2gqb s ILE 128 CO 0.55 -0.98 0.00 1.17 -0.10 0.00 0.00 174.94 175.58 2gqb n LYS 129 N 2.96 0.00 0.00 2.79 4.81 -1.26 -4.95 118.16 122.51 2gqb n LYS 129 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 2gqb n LYS 129 Cb 0.38 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.43 2gqb n LYS 129 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15