#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gqb n SER 2 N 0.00 -1.41 0.21 6.12 7.64 -1.26 -4.80 113.62 120.12 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 -0.70 0.59 0.00 -1.01 0.00 0.00 64.21 63.09 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 1.03 0.00 0.44 2.04 -1.91 0.56 117.51 119.67 2gqb h ILE 3 Ca 0.00 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 2gqb h ILE 3 Cb 0.00 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2gqb h ILE 3 CO 0.00 0.03 -0.09 2.19 0.00 0.00 0.00 178.15 180.28 2gqb h PHE 4 N 0.10 0.00 0.00 1.37 -5.15 -1.95 0.20 116.94 111.51 2gqb h PHE 4 Ca 0.03 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.80 2gqb h PHE 4 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.19 2gqb h PHE 4 CO 0.00 0.09 -0.89 0.41 -2.00 0.00 0.00 178.31 175.92 2gqb n GLY 5 N -0.94 -1.25 0.08 6.09 0.00 0.12 -3.44 105.19 105.86 2gqb n GLY 5 Ca -0.02 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 2gqb n GLY 5 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gqb h LYS 6 N 0.00 0.04 0.00 1.61 1.57 -0.25 -3.36 116.57 116.18 2gqb h LYS 6 Ca 0.00 -0.07 -0.21 0.00 -1.87 0.00 0.00 60.65 58.50 2gqb h LYS 6 Cb 0.71 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.01 2gqb h LYS 6 CO 0.00 0.74 -1.08 -0.84 -0.57 0.00 0.00 179.45 177.71 2gqb h ILE 7 N 0.01 1.34 0.00 1.86 3.07 -0.84 -3.32 117.51 119.63 2gqb h ILE 7 Ca -0.21 -3.01 0.00 0.00 1.55 0.00 0.00 64.86 63.20 2gqb h ILE 7 Cb 1.95 2.65 0.00 0.00 -0.27 0.00 0.00 36.82 41.14 2gqb h ILE 7 CO 0.10 0.76 0.00 0.00 -1.05 0.00 0.00 178.15 177.97 2gqb h MET 8 N 0.00 0.00 0.00 0.16 -0.00 -1.70 -2.46 114.93 110.93 2gqb h MET 8 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.62 2gqb h MET 8 Cb 1.74 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.34 2gqb h MET 8 CO 0.10 0.00 -0.04 0.77 -0.00 0.00 0.00 176.91 177.75 2gqb h SER 9 N 0.00 0.00 0.44 -0.10 0.02 -1.73 0.40 113.55 112.58 2gqb h SER 9 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2gqb h SER 9 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 2gqb h SER 9 CO 0.00 0.04 -1.05 0.00 -1.14 0.00 0.00 176.83 174.68 2gqb n ALA 10 N -2.39 3.35 -0.11 3.77 0.00 -0.93 -2.48 120.51 121.73 2gqb n ALA 10 Ca -0.03 -0.40 -0.20 0.00 0.00 0.00 0.00 53.44 52.81 2gqb n ALA 10 Cb 0.13 -0.97 -0.08 0.00 0.00 0.00 0.00 19.45 18.53 2gqb n ALA 10 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2gqb n ILE 11 N -2.00 1.51 0.94 0.00 5.41 -0.45 -4.29 119.36 120.48 2gqb n ILE 11 Ca 0.02 -0.08 0.12 0.00 1.00 0.00 0.00 62.75 63.80 2gqb n ILE 11 Cb 0.44 -2.10 0.29 0.00 -0.71 0.00 0.00 39.64 37.57 2gqb n ILE 11 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2gqb n PHE 12 N -4.41 0.22 -0.02 1.39 3.72 0.13 -3.60 117.46 114.90 2gqb n PHE 12 Ca -0.33 -0.11 0.12 0.00 -0.05 0.00 0.00 57.45 57.08 2gqb n PHE 12 Cb 0.66 0.00 0.26 0.00 -0.94 0.00 0.00 39.48 39.46 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 1.30 2.09 3.88 1.37 0.00 -1.03 -4.95 105.19 107.85 2gqb n GLY 13 Ca 0.17 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.24 4.53 0.00 1.61 -1.08 -1.24 -4.94 116.67 114.31 2gqb s ASP 14 Ca 0.43 -1.34 0.00 0.00 -0.52 0.00 0.00 52.55 51.12 2gqb s ASP 14 Cb 0.24 0.46 0.00 0.00 -1.46 0.00 0.00 42.92 42.16 2gqb s ASP 14 CO 0.32 -1.07 0.01 -1.20 0.52 0.00 0.00 175.17 173.75 2gqb n SER 15 N -1.67 0.02 0.00 -0.34 7.64 -1.26 -5.03 113.62 112.97 2gqb n SER 15 Ca -0.05 -0.41 0.00 0.00 1.01 0.00 0.00 58.87 59.41 2gqb n SER 15 Cb 0.65 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 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 -0.02 0.00 -2.20 -0.43 0.00 -1.26 -4.30 120.51 112.29 2gqb n ALA 16 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 2gqb n ALA 16 Cb 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.45 0.00 0.00 0.00 -1.26 -4.53 120.51 114.27 2gqb n ALA 17 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2gqb n ALA 17 Cb 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 19.45 17.65 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 -1.40 0.00 -0.68 0.00 0.00 -1.26 -4.96 120.51 112.21 2gqb n ALA 18 Ca -0.19 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.33 2gqb n ALA 18 Cb 0.63 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.04 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 -1.68 -3.70 -4.55 0.00 7.64 -1.26 -3.98 113.62 106.10 2gqb n SER 19 Ca 0.00 0.71 -0.37 0.00 1.01 0.00 0.00 58.87 60.22 2gqb n SER 19 Cb 0.00 -2.30 -0.03 0.00 -1.01 0.00 0.00 64.21 60.87 2gqb n SER 19 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2gqb n PRO 20 N -3.01 1.04 0.00 1.43 -0.04 -1.26 -3.70 135.00 129.46 2gqb n PRO 20 Ca -0.04 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2gqb n PRO 20 Cb 0.31 -3.38 0.00 0.00 -0.04 0.00 0.00 33.50 30.40 2gqb n PRO 20 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2gqb n GLY 21 N 6.02 0.60 2.21 0.55 0.00 -1.26 -4.96 105.19 108.35 2gqb n GLY 21 Ca 0.38 -0.13 -0.19 0.00 0.00 0.00 0.00 46.02 46.08 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 3.60 3.75 -0.02 0.00 -1.24 -4.91 105.19 106.37 2gqb n GLY 22 Ca 0.00 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.07 3.37 -0.54 4.61 0.00 -1.25 -4.74 121.76 123.15 2gqb s ALA 23 Ca 0.64 0.38 -0.28 0.00 0.00 0.00 0.00 51.96 52.70 2gqb s ALA 23 Cb 0.34 -3.04 -0.00 0.00 0.00 0.00 0.00 23.12 20.41 2gqb s ALA 23 CO -0.09 0.14 1.61 -1.14 0.00 0.00 0.00 175.76 176.27 2gqb s GLN 24 N -0.50 3.12 -0.06 0.00 0.74 -1.26 -4.98 119.66 116.71 2gqb s GLN 24 Ca 0.39 0.66 -0.01 0.00 0.05 0.00 0.00 55.36 56.45 2gqb s GLN 24 Cb -0.22 -4.21 -0.03 0.00 1.10 0.00 0.00 33.01 29.64 2gqb s GLN 24 CO 0.26 -2.15 0.01 0.00 -0.55 0.00 0.00 175.29 172.86 2gqb s ALA 25 N 7.04 3.30 -0.63 1.58 0.00 -1.26 -5.05 121.76 126.75 2gqb s ALA 25 Ca 0.61 -0.84 -0.26 0.00 0.00 0.00 0.00 51.96 51.47 2gqb s ALA 25 Cb -0.13 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 2gqb s ALA 25 CO 0.25 0.61 1.98 -1.25 0.00 0.00 0.00 175.76 177.35 2gqb s PRO 26 N -1.10 2.50 -0.19 0.00 0.04 -1.26 -4.90 135.00 130.09 2gqb s PRO 26 Ca 0.15 0.62 -0.08 0.00 0.04 0.00 0.00 61.00 61.74 2gqb s PRO 26 Cb -0.11 -4.51 0.08 0.00 0.04 0.00 0.00 34.50 29.99 2gqb s PRO 26 CO 0.05 -2.95 0.42 0.00 0.04 0.00 0.00 177.00 174.55 2gqb s ALA 27 N 9.88 -1.12 0.00 8.56 0.00 -1.26 -5.16 121.76 132.66 2gqb s ALA 27 Ca 0.73 1.51 0.02 0.00 0.00 0.00 0.00 51.96 54.22 2gqb s ALA 27 Cb -0.13 -1.20 -0.01 0.00 0.00 0.00 0.00 23.12 21.78 2gqb s ALA 27 CO 0.19 -0.61 -0.06 -0.08 0.00 0.00 0.00 175.76 175.20 2gqb s THR 28 N 2.24 0.46 -0.70 0.00 -1.32 -1.26 -5.02 115.64 110.05 2gqb s THR 28 Ca -0.04 -0.34 0.15 0.00 -1.21 0.00 0.00 61.69 60.25 2gqb s THR 28 Cb -0.11 -0.41 0.50 0.00 -1.51 0.00 0.00 72.50 70.97 2gqb s THR 28 CO -0.13 0.07 1.41 0.35 -2.21 0.00 0.00 174.62 174.12 2gqb n THR 29 N 2.78 1.69 0.00 5.08 -2.24 -1.26 -5.02 114.28 115.31 2gqb n THR 29 Ca -0.14 -1.37 0.00 0.00 -2.27 0.00 0.00 64.05 60.27 2gqb n THR 29 Cb 0.58 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 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 0.30 2.09 3.33 3.38 0.00 -1.26 -4.80 105.19 108.23 2gqb n GLY 30 Ca 0.19 -0.40 -0.44 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.00 3.56 -0.02 4.61 0.00 -1.26 -5.04 121.76 122.61 2gqb s ALA 31 Ca 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 51.96 49.64 2gqb s ALA 31 Cb 0.00 -3.10 0.02 0.00 0.00 0.00 0.00 23.12 20.04 2gqb s ALA 31 CO 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 175.76 173.91 2gqb s ALA 32 N 1.59 0.19 -0.52 0.00 0.00 -1.26 -5.04 121.76 116.71 2gqb s ALA 32 Ca 0.04 0.13 -0.05 0.00 0.00 0.00 0.00 51.96 52.08 2gqb s ALA 32 Cb -0.27 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 2gqb s ALA 32 CO 0.04 -0.05 2.91 0.41 0.00 0.00 0.00 175.76 179.08 2gqb n GLY 33 N 3.78 4.18 3.56 0.00 0.00 -1.26 -4.90 105.19 110.55 2gqb n GLY 33 Ca -0.22 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 2gqb n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gqb s THR 34 N -1.26 3.96 -0.13 2.61 2.01 -1.26 -4.97 115.64 116.60 2gqb s THR 34 Ca 0.60 0.60 -0.10 0.00 0.31 0.00 0.00 61.69 63.10 2gqb s THR 34 Cb 0.34 -4.78 0.04 0.00 0.01 0.00 0.00 72.50 68.11 2gqb s THR 34 CO -0.15 -1.52 0.34 0.00 -0.69 0.00 0.00 174.62 172.59 2gqb s ALA 35 N 5.11 -0.83 -0.87 7.40 0.00 -1.26 -5.10 121.76 126.21 2gqb s ALA 35 Ca 0.38 1.08 -0.25 0.00 0.00 0.00 0.00 51.96 53.17 2gqb s ALA 35 Cb -0.09 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 2gqb s ALA 35 CO 0.20 -0.19 1.84 -2.14 0.00 0.00 0.00 175.76 175.48 2gqb s PRO 36 N 0.61 2.73 0.00 0.00 0.02 -1.26 -4.71 135.00 132.38 2gqb s PRO 36 Ca -0.04 -0.27 0.15 0.00 0.02 0.00 0.00 61.00 60.87 2gqb s PRO 36 Cb -0.05 -4.98 0.02 0.00 0.02 0.00 0.00 34.50 29.51 2gqb s PRO 36 CO -0.04 -3.08 0.85 -2.37 -0.33 0.00 0.00 177.00 172.03 2gqb n THR 37 N 7.60 0.00 -3.86 0.99 5.66 -1.26 -4.79 114.28 118.62 2gqb n THR 37 Ca 0.35 -0.37 -0.33 0.00 -3.05 0.00 0.00 64.05 60.65 2gqb n THR 37 Cb 0.48 1.20 -0.12 0.00 -1.55 0.00 0.00 70.33 70.34 2gqb n THR 37 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2gqb s ALA 38 N -1.73 3.30 -0.40 1.79 0.00 -1.26 -5.07 121.76 118.38 2gqb s ALA 38 Ca 0.13 -3.01 -0.29 0.00 0.00 0.00 0.00 51.96 48.79 2gqb s ALA 38 Cb 0.12 -2.34 0.02 0.00 0.00 0.00 0.00 23.12 20.93 2gqb s ALA 38 CO 0.35 -1.95 1.18 -1.25 0.00 0.00 0.00 175.76 174.09 2gqb s PRO 39 N 0.25 3.82 0.19 0.00 0.04 -1.26 -5.03 135.00 133.01 2gqb s PRO 39 Ca 0.14 0.85 -0.13 0.00 0.04 0.00 0.00 61.00 61.91 2gqb s PRO 39 Cb -0.22 -3.87 -0.07 0.00 0.04 0.00 0.00 34.50 30.37 2gqb s PRO 39 CO -0.03 -1.24 0.57 1.14 0.04 0.00 0.00 177.00 177.48 2gqb s GLN 40 N 4.26 3.92 0.36 4.56 -2.07 -1.26 -5.04 119.66 124.39 2gqb s GLN 40 Ca 0.50 0.43 -0.28 0.00 -1.82 0.00 0.00 55.36 54.19 2gqb s GLN 40 Cb -0.11 -2.78 -0.11 0.00 -1.09 0.00 0.00 33.01 28.93 2gqb s GLN 40 CO 0.26 0.39 1.41 -1.25 -1.32 0.00 0.00 175.29 174.79 2gqb s PRO 41 N -2.37 4.21 -0.01 9.60 0.04 -1.26 -4.93 135.00 140.27 2gqb s PRO 41 Ca 0.43 2.43 -0.30 0.00 0.04 0.00 0.00 61.00 63.60 2gqb s PRO 41 Cb -0.13 -3.01 -0.07 0.00 0.04 0.00 0.00 34.50 31.33 2gqb s PRO 41 CO 0.20 -0.40 1.77 0.99 0.04 0.00 0.00 177.00 179.60 2gqb s THR 42 N -1.13 3.32 0.30 1.26 2.01 -1.26 -4.95 115.64 115.19 2gqb s THR 42 Ca 0.51 0.44 -0.03 0.00 0.31 0.00 0.00 61.69 62.92 2gqb s THR 42 Cb -0.44 -3.28 0.01 0.00 0.01 0.00 0.00 72.50 68.80 2gqb s THR 42 CO 0.59 -0.03 0.45 0.00 -0.69 0.00 0.00 174.62 174.93 2gqb n ALA 43 N 7.12 -0.47 -3.46 7.40 0.00 -1.26 -5.13 120.51 124.71 2gqb n ALA 43 Ca 0.18 -1.31 -0.28 0.00 0.00 0.00 0.00 53.44 52.03 2gqb n ALA 43 Cb 0.42 1.05 -0.12 0.00 0.00 0.00 0.00 19.45 20.81 2gqb n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gqb s ALA 44 N -2.47 1.15 -0.10 0.00 0.00 -1.26 -5.03 121.76 114.04 2gqb s ALA 44 Ca 0.23 -2.08 -0.02 0.00 0.00 0.00 0.00 51.96 50.08 2gqb s ALA 44 Cb -0.01 -1.62 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 2gqb s ALA 44 CO 0.16 -2.07 0.05 -1.00 0.00 0.00 0.00 175.76 172.90 2gqb h PRO 45 N 6.61 0.00 -2.52 0.00 0.13 -2.01 -3.49 132.00 130.73 2gqb h PRO 45 Ca 0.11 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.16 2gqb h PRO 45 Cb 0.95 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.89 2gqb h PRO 45 CO 0.31 0.07 -0.02 -1.54 -0.23 0.00 0.00 178.00 176.59 2gqb s SER 46 N -5.60 -0.44 -0.34 1.44 1.04 -1.26 -5.13 113.70 103.40 2gqb s SER 46 Ca -0.02 0.39 -0.11 0.00 0.48 0.00 0.00 55.95 56.69 2gqb s SER 46 Cb -0.00 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2gqb s SER 46 CO 0.05 -0.55 0.21 -0.63 0.98 0.00 0.00 173.24 173.29 2gqb s ILE 47 N -1.39 4.86 -0.41 -1.02 -1.09 -1.18 -5.02 121.20 115.94 2gqb s ILE 47 Ca -0.11 -0.49 -0.20 0.00 -2.23 0.00 0.00 60.65 57.62 2gqb s ILE 47 Cb -0.02 -3.56 0.02 0.00 -1.58 0.00 0.00 42.46 37.32 2gqb s ILE 47 CO 0.06 -0.06 0.60 -0.62 -1.23 0.00 0.00 174.94 173.69 2gqb s ASP 48 N 1.64 6.32 0.35 3.58 -1.08 -1.26 0.64 116.67 126.86 2gqb s ASP 48 Ca 0.04 -0.27 0.19 0.00 -0.52 0.00 0.00 52.55 51.99 2gqb s ASP 48 Cb -0.18 -2.30 0.27 0.00 -1.46 0.00 0.00 42.92 39.25 2gqb s ASP 48 CO 0.08 -0.69 1.55 0.58 0.52 0.00 0.00 175.17 177.21 2gqb h VAL 49 N 5.80 0.56 0.75 1.11 2.07 -1.70 -3.34 116.25 121.50 2gqb h VAL 49 Ca -0.26 -1.70 -0.04 0.00 0.82 0.00 0.00 66.70 65.52 2gqb h VAL 49 Cb 1.10 2.21 0.01 0.00 -1.52 0.00 0.00 31.29 33.09 2gqb h VAL 49 CO 0.86 0.31 -0.36 0.00 0.02 0.00 0.00 177.57 178.39 2gqb h ALA 50 N 1.69 -1.01 0.00 1.67 0.00 -1.92 -1.79 119.26 117.90 2gqb h ALA 50 Ca -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2gqb h ALA 50 Cb 1.18 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 2gqb h ALA 50 CO 0.04 -1.06 -0.03 -1.00 0.00 0.00 0.00 179.25 177.20 2gqb h PRO 51 N -1.04 0.00 0.20 0.00 0.13 -1.96 -2.03 132.00 127.30 2gqb h PRO 51 Ca -0.10 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 2gqb h PRO 51 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2gqb h PRO 51 CO 0.17 0.03 -0.10 0.82 -0.23 0.00 0.00 178.00 178.70 2gqb h ILE 52 N 0.00 0.81 0.18 -3.56 2.04 -1.60 -3.27 117.51 112.10 2gqb h ILE 52 Ca -0.00 -0.98 -0.32 0.00 1.00 0.00 0.00 64.86 64.56 2gqb h ILE 52 Cb 0.38 1.31 0.02 0.00 -0.74 0.00 0.00 36.82 37.78 2gqb h ILE 52 CO 0.00 0.19 -1.47 -0.07 0.00 0.00 0.00 178.15 176.80 2gqb h LEU 53 N -0.82 0.60 -1.28 1.44 3.38 -1.23 -1.61 115.31 115.78 2gqb h LEU 53 Ca -0.03 -0.71 -0.01 0.00 0.09 0.00 0.00 57.88 57.22 2gqb h LEU 53 Cb 0.52 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2gqb h LEU 53 CO 0.04 1.57 0.29 -0.78 0.09 0.00 0.00 178.44 179.66 2gqb h ASP 54 N 0.10 0.70 0.93 -0.43 3.58 -1.55 -0.43 116.42 119.33 2gqb h ASP 54 Ca -0.23 -0.06 -0.12 0.00 0.42 0.00 0.00 57.03 57.04 2gqb h ASP 54 Cb 2.07 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 42.93 2gqb h ASP 54 CO 0.22 0.58 -1.14 0.11 -2.88 0.00 0.00 179.24 176.13 2gqb h LYS 55 N 0.79 0.00 0.00 0.28 1.79 -1.61 -3.25 116.57 114.57 2gqb h LYS 55 Ca 0.20 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.64 2gqb h LYS 55 Cb 0.05 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2gqb h LYS 55 CO -0.03 0.26 -0.15 0.00 -1.08 0.00 0.00 179.45 178.45 2gqb h ALA 56 N 1.57 1.08 -0.46 3.86 0.00 -0.44 -1.41 119.26 123.45 2gqb h ALA 56 Ca -0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2gqb h ALA 56 Cb 1.42 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 2gqb h ALA 56 CO 0.04 0.18 0.21 0.28 0.00 0.00 0.00 179.25 179.96 2gqb h VAL 57 N 0.00 1.19 0.00 0.00 2.07 -1.14 -0.43 116.25 117.94 2gqb h VAL 57 Ca -0.00 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 2gqb h VAL 57 Cb 0.57 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2gqb h VAL 57 CO 0.02 0.22 -0.05 0.11 0.02 0.00 0.00 177.57 177.88 2gqb h LYS 58 N 0.60 0.00 0.00 1.57 1.57 -1.56 -2.33 116.57 116.42 2gqb h LYS 58 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2gqb h LYS 58 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2gqb h LYS 58 CO -0.02 0.05 -0.12 0.00 -0.57 0.00 0.00 179.45 178.79 2gqb h ALA 59 N 1.95 0.93 0.00 3.86 0.00 -0.75 -3.31 119.26 121.94 2gqb h ALA 59 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2gqb h ALA 59 Cb 0.81 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2gqb h ALA 59 CO 0.01 0.00 -0.06 -0.22 0.00 0.00 0.00 179.25 178.98 2gqb h LYS 60 N 0.00 0.00 0.00 0.00 1.63 -0.54 -3.49 116.57 114.16 2gqb h LYS 60 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2gqb h LYS 60 Cb 0.85 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.48 2gqb h LYS 60 CO 0.00 0.75 0.00 0.41 -3.45 0.00 0.00 179.45 177.16 2gqb n GLY 61 N 1.64 -0.26 3.14 5.01 0.00 -1.07 -5.12 105.19 108.54 2gqb n GLY 61 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 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 0.90 -0.15 1.61 -1.05 -1.24 -5.05 118.70 113.73 2gqb s GLU 62 Ca 0.00 -1.42 -0.26 0.00 -0.15 0.00 0.00 54.97 53.14 2gqb s GLU 62 Cb 0.00 0.23 -0.02 0.00 -0.44 0.00 0.00 34.13 33.91 2gqb s GLU 62 CO 0.00 -0.25 0.86 0.21 0.95 0.00 0.00 175.26 177.03 2gqb s LYS 63 N -4.04 4.34 0.16 -4.83 2.47 -1.26 -4.44 119.74 112.14 2gqb s LYS 63 Ca 0.23 1.09 0.04 0.00 -1.56 0.00 0.00 55.97 55.76 2gqb s LYS 63 Cb 0.08 -3.56 -0.05 0.00 -1.46 0.00 0.00 37.83 32.84 2gqb s LYS 63 CO 0.01 -0.29 -0.06 -0.51 0.16 0.00 0.00 175.35 174.65 2gqb s LEU 64 N 2.00 2.40 -0.46 5.43 1.43 -1.26 -5.12 118.68 123.09 2gqb s LEU 64 Ca 0.40 -1.08 0.03 0.00 -1.03 0.00 0.00 54.13 52.45 2gqb s LEU 64 Cb -0.17 -0.26 0.13 0.00 0.03 0.00 0.00 46.19 45.92 2gqb s LEU 64 CO 0.14 -0.42 0.24 -1.83 0.23 0.00 0.00 176.35 174.72 2gqb s GLU 65 N -3.80 1.50 0.37 1.70 -1.05 -1.26 -4.94 118.70 111.21 2gqb s GLU 65 Ca 0.20 -2.20 0.25 0.00 -0.15 0.00 0.00 54.97 53.07 2gqb s GLU 65 Cb 0.04 -2.65 0.58 0.00 -0.44 0.00 0.00 34.13 31.66 2gqb s GLU 65 CO 0.02 -1.14 1.69 0.11 0.95 0.00 0.00 175.26 176.89 2gqb h TRP 66 N 6.66 0.00 0.00 4.83 5.08 -1.92 0.91 115.95 131.51 2gqb h TRP 66 Ca -0.03 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.90 2gqb h TRP 66 Cb 0.92 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.07 2gqb h TRP 66 CO 0.49 0.00 -0.19 0.00 -1.28 0.00 0.00 178.44 177.46 2gqb h ARG 67 N 0.00 0.00 0.00 0.12 3.08 -1.92 -3.35 114.38 112.31 2gqb h ARG 67 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2gqb h ARG 67 Cb 0.86 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 2gqb h ARG 67 CO 0.00 0.19 -1.11 0.25 -1.07 0.00 0.00 179.97 178.23 2gqb n THR 68 N -3.83 0.11 -3.56 2.04 -2.24 -1.18 -4.34 114.28 101.28 2gqb n THR 68 Ca -0.02 -0.03 -0.37 0.00 -2.27 0.00 0.00 64.05 61.36 2gqb n THR 68 Cb 0.29 -1.21 -0.08 0.00 -2.10 0.00 0.00 70.33 67.23 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 -4.85 6.29 0.13 3.42 0.01 0.30 -4.79 113.70 114.21 2gqb s SER 69 Ca -0.03 0.32 0.08 0.00 1.31 0.00 0.00 55.95 57.64 2gqb s SER 69 Cb 0.01 -2.16 -0.18 0.00 0.21 0.00 0.00 66.02 63.90 2gqb s SER 69 CO 0.04 0.04 1.28 -0.29 0.41 0.00 0.00 173.24 174.72 2gqb h ILE 70 N 4.92 1.59 0.00 1.44 6.09 -1.83 -3.21 117.51 126.51 2gqb h ILE 70 Ca -0.38 -3.27 -0.10 0.00 -1.37 0.00 0.00 64.86 59.73 2gqb h ILE 70 Cb 1.16 2.79 -0.01 0.00 0.47 0.00 0.00 36.82 41.23 2gqb h ILE 70 CO 0.71 0.91 -0.49 1.62 -3.07 0.00 0.00 178.15 177.82 2gqb h VAL 71 N 0.00 1.34 0.17 2.19 3.04 -1.93 -2.35 116.25 118.72 2gqb h VAL 71 Ca -0.02 -1.70 -0.01 0.00 -1.01 0.00 0.00 66.70 63.96 2gqb h VAL 71 Cb 1.73 1.92 0.00 0.00 -2.01 0.00 0.00 31.29 32.94 2gqb h VAL 71 CO 0.12 0.48 -0.08 0.44 -1.01 0.00 0.00 177.57 177.52 2gqb h ASP 72 N 0.00 -0.20 0.37 3.17 5.19 -1.85 -2.62 116.42 120.49 2gqb h ASP 72 Ca -0.00 -0.17 -0.10 0.00 -0.62 0.00 0.00 57.03 56.13 2gqb h ASP 72 Cb 0.88 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.43 2gqb h ASP 72 CO 0.06 0.07 -0.44 0.17 -3.12 0.00 0.00 179.24 175.98 2gqb h LEU 73 N -0.47 0.10 0.24 1.55 8.10 -1.61 -1.22 115.31 122.00 2gqb h LEU 73 Ca -0.02 -0.04 0.00 0.00 0.11 0.00 0.00 57.88 57.93 2gqb h LEU 73 Cb 0.36 -0.03 -0.02 0.00 -0.44 0.00 0.00 40.66 40.54 2gqb h LEU 73 CO 0.04 0.53 -0.21 -0.03 -4.11 0.00 0.00 178.44 174.65 2gqb h MET 74 N 0.08 -0.46 -0.30 0.17 4.05 -1.28 -2.44 114.93 114.75 2gqb h MET 74 Ca 0.00 0.03 -0.17 0.00 -0.28 0.00 0.00 59.70 59.29 2gqb h MET 74 Cb 0.81 0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.71 2gqb h MET 74 CO 0.06 -0.30 -0.47 1.57 0.23 0.00 0.00 176.91 177.99 2gqb h LYS 75 N -0.47 0.80 -1.02 0.39 2.10 -1.43 -2.68 116.57 114.26 2gqb h LYS 75 Ca -0.01 -0.46 0.25 0.00 -2.00 0.00 0.00 60.65 58.43 2gqb h LYS 75 Cb 0.43 0.04 -0.11 0.00 -0.90 0.00 0.00 32.23 31.69 2gqb h LYS 75 CO -0.03 1.09 0.63 0.00 -2.00 0.00 0.00 179.45 179.14 2gqb h ALA 76 N 0.83 1.97 -3.00 0.07 0.00 -0.92 -3.11 119.26 115.10 2gqb h ALA 76 Ca 0.03 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2gqb h ALA 76 Cb 1.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2gqb h ALA 76 CO 0.10 -0.40 0.00 1.28 0.00 0.00 0.00 179.25 180.24 2gqb n LEU 77 N -4.75 1.50 0.00 0.00 7.99 -0.94 -4.74 117.00 116.06 2gqb n LEU 77 Ca 0.26 0.10 0.00 0.00 -0.01 0.00 0.00 56.01 56.36 2gqb n LEU 77 Cb 0.78 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.09 2gqb n LEU 77 CO 0.21 0.00 0.07 -0.67 -1.51 0.00 0.00 177.39 175.49 2gqb n ASP 78 N -0.35 0.00 -4.79 -1.43 2.03 -1.18 -5.08 116.55 105.76 2gqb n ASP 78 Ca 0.00 -1.00 -0.36 0.00 0.52 0.00 0.00 54.79 53.95 2gqb n ASP 78 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 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 5.32 0.23 5.18 -1.09 -1.01 -4.98 121.20 124.84 2gqb s ILE 79 Ca 0.00 0.15 -0.08 0.00 -2.23 0.00 0.00 60.65 58.48 2gqb s ILE 79 Cb 0.00 -3.36 0.21 0.00 -1.58 0.00 0.00 42.46 37.73 2gqb s ILE 79 CO 0.00 0.54 1.68 -0.78 -1.23 0.00 0.00 174.94 175.15 2gqb h ASP 80 N 5.75 -0.10 -0.61 3.58 3.58 -1.90 -3.33 116.42 123.39 2gqb h ASP 80 Ca -0.48 0.14 -0.26 0.00 0.42 0.00 0.00 57.03 56.85 2gqb h ASP 80 Cb 1.19 0.22 -0.10 0.00 1.72 0.00 0.00 39.33 42.36 2gqb h ASP 80 CO 0.65 -0.06 -0.24 -1.20 -2.88 0.00 0.00 179.24 175.52 2gqb n SER 81 N -5.20 -4.66 -2.17 2.28 7.64 -1.26 -4.93 113.62 105.32 2gqb n SER 81 Ca 0.11 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.31 2gqb n SER 81 Cb 0.39 -3.28 0.00 0.00 -1.01 0.00 0.00 64.21 60.31 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 -0.23 0.00 0.02 6.43 2.88 -1.26 -4.70 113.62 116.76 2gqb n SER 82 Ca -0.13 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.29 2gqb n SER 82 Cb 0.44 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.81 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 -0.02 -1.27 2.46 7.12 -1.99 -2.47 115.31 119.14 2gqb h LEU 83 Ca 0.00 -0.27 0.07 0.00 0.13 0.00 0.00 57.88 57.81 2gqb h LEU 83 Cb 0.00 0.01 -0.05 0.00 -0.53 0.00 0.00 40.66 40.08 2gqb h LEU 83 CO 0.00 0.26 0.54 0.28 -0.13 0.00 0.00 178.44 179.39 2gqb h SER 84 N -0.31 0.77 0.11 1.25 0.02 -1.98 0.15 113.55 113.56 2gqb h SER 84 Ca -0.00 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2gqb h SER 84 Cb 0.29 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2gqb h SER 84 CO 0.00 0.49 -0.05 0.00 -1.14 0.00 0.00 176.83 176.13 2gqb h ALA 85 N 1.56 -0.14 0.00 3.77 0.00 -1.86 -1.49 119.26 121.10 2gqb h ALA 85 Ca 0.36 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2gqb h ALA 85 Cb 0.27 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2gqb h ALA 85 CO -0.13 -0.40 -0.15 0.07 0.00 0.00 0.00 179.25 178.64 2gqb h ARG 86 N -0.51 0.00 0.05 0.00 0.11 -1.16 -1.42 114.38 111.44 2gqb h ARG 86 Ca -0.01 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.06 2gqb h ARG 86 Cb 0.42 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.50 2gqb h ARG 86 CO 0.02 0.15 -0.02 -0.22 0.10 0.00 0.00 179.97 180.00 2gqb h LYS 87 N 0.00 -0.07 -0.06 0.08 1.63 -0.73 -2.72 116.57 114.71 2gqb h LYS 87 Ca -0.00 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.66 2gqb h LYS 87 Cb 0.42 0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.08 2gqb h LYS 87 CO 0.02 0.43 -0.51 1.05 -3.45 0.00 0.00 179.45 176.99 2gqb h GLU 88 N -0.60 0.44 -0.93 1.90 4.11 -1.11 -2.78 114.58 115.62 2gqb h GLU 88 Ca -0.01 -0.40 0.05 0.00 0.07 0.00 0.00 59.36 59.07 2gqb h GLU 88 Cb 0.53 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.81 2gqb h GLU 88 CO 0.01 1.05 0.59 1.25 0.07 0.00 0.00 179.01 181.98 2gqb h LEU 89 N -0.02 0.96 -0.32 3.06 5.85 -1.38 -0.46 115.31 122.99 2gqb h LEU 89 Ca -0.05 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 2gqb h LEU 89 Cb 1.18 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 2gqb h LEU 89 CO 0.10 0.63 0.13 0.00 -0.34 0.00 0.00 178.44 178.96 2gqb h ALA 90 N 1.41 0.42 0.00 1.25 0.00 -1.51 -3.03 119.26 117.80 2gqb h ALA 90 Ca 0.39 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 2gqb h ALA 90 Cb 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2gqb h ALA 90 CO -0.16 0.02 -0.45 1.57 0.00 0.00 0.00 179.25 180.24 2gqb h LYS 91 N 0.38 0.00 0.00 0.00 2.10 -1.00 0.56 116.57 118.61 2gqb h LYS 91 Ca 0.11 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.71 2gqb h LYS 91 Cb 0.19 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.51 2gqb h LYS 91 CO -0.01 0.45 -0.21 0.93 -2.00 0.00 0.00 179.45 178.61 2gqb h GLU 92 N 0.00 0.00 0.06 0.07 4.39 -1.02 -3.05 114.58 115.04 2gqb h GLU 92 Ca -0.00 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.39 2gqb h GLU 92 Cb 0.86 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.49 2gqb h GLU 92 CO 0.06 0.21 -1.65 1.28 -1.16 0.00 0.00 179.01 177.74 2gqb n LEU 93 N -3.93 2.25 0.00 1.33 4.77 -0.66 -5.00 117.00 115.77 2gqb n LEU 93 Ca -0.02 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2gqb n LEU 93 Cb 0.29 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 2gqb n LEU 93 CO 0.34 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 2gqb n GLY 94 N 1.71 0.20 2.46 -0.72 0.00 0.12 -4.95 105.19 104.01 2gqb n GLY 94 Ca -0.32 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 -1.92 1.61 9.36 0.15 -4.80 117.16 121.57 2gqb n TYR 95 Ca 0.00 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.80 2gqb n TYR 95 Cb 0.00 -2.36 -0.00 0.00 -0.63 0.00 0.00 39.34 36.35 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 -0.37 4.06 -3.24 2.98 7.64 -1.26 -4.74 113.62 118.68 2gqb n SER 96 Ca -0.12 -2.85 0.03 0.00 1.01 0.00 0.00 58.87 56.94 2gqb n SER 96 Cb 0.45 -1.66 -0.04 0.00 -1.01 0.00 0.00 64.21 61.95 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 3.59 0.14 0.29 0.23 0.00 -1.26 -5.07 107.32 105.23 2gqb s GLY 97 Ca 0.50 3.47 0.00 0.00 0.00 0.00 0.00 44.72 48.68 2gqb s GLY 97 CO -0.04 3.38 0.00 1.34 0.00 0.00 0.00 173.10 177.78 2gqb n ASP 98 N 4.72 -2.53 0.02 1.64 -0.08 -1.26 -4.91 116.55 114.15 2gqb n ASP 98 Ca -0.07 0.56 0.09 0.00 -1.51 0.00 0.00 54.79 53.85 2gqb n ASP 98 Cb 0.55 2.53 0.37 0.00 2.34 0.00 0.00 41.12 46.91 2gqb n ASP 98 CO 0.00 0.00 0.00 1.15 0.12 0.00 0.00 177.20 178.47 2gqb n MET 99 N -3.09 0.04 -0.16 -0.67 0.00 -1.26 -1.58 117.12 110.40 2gqb n MET 99 Ca 0.00 0.26 0.10 0.00 0.00 0.00 0.00 57.70 58.06 2gqb n MET 99 Cb 0.00 -1.57 0.28 0.00 0.00 0.00 0.00 33.22 31.93 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 -1.64 2.42 -1.05 3.17 6.94 -1.26 -5.05 115.26 118.79 2gqb n ASN 100 Ca 0.04 -1.88 0.08 0.00 -0.02 0.00 0.00 54.58 52.80 2gqb n ASN 100 Cb 0.20 -0.21 -0.02 0.00 -2.36 0.00 0.00 39.78 37.39 2gqb n ASN 100 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2gqb n ASP 101 N 0.81 -6.24 0.17 0.53 -0.08 -0.61 -2.41 116.55 108.72 2gqb n ASP 101 Ca 0.17 0.65 0.13 0.00 -1.51 0.00 0.00 54.79 54.23 2gqb n ASP 101 Cb 0.43 -1.83 0.41 0.00 2.34 0.00 0.00 41.12 42.47 2gqb n ASP 101 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2gqb h SER 102 N -0.56 0.00 0.19 1.67 0.02 -1.97 -2.97 113.55 109.93 2gqb h SER 102 Ca 0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2gqb h SER 102 Cb 0.55 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 2gqb h SER 102 CO 0.00 0.00 -0.17 0.00 -1.14 0.00 0.00 176.83 175.53 2gqb h ALA 103 N 2.24 -0.91 0.00 3.77 0.00 -1.99 -0.05 119.26 122.32 2gqb h ALA 103 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2gqb h ALA 103 Cb 0.69 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2gqb h ALA 103 CO 0.00 -0.92 0.00 0.77 0.00 0.00 0.00 179.25 179.10 2gqb h SER 104 N -0.35 0.00 0.26 0.00 0.02 -1.58 -2.95 113.55 108.95 2gqb h SER 104 Ca -0.02 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.79 2gqb h SER 104 Cb 0.30 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 2gqb h SER 104 CO -0.01 0.00 -0.54 -0.03 -1.14 0.00 0.00 176.83 175.11 2gqb h MET 105 N 0.00 0.30 -0.30 3.45 -1.53 -1.34 -1.30 114.93 114.22 2gqb h MET 105 Ca 0.00 -0.18 -0.08 0.00 -3.44 0.00 0.00 59.70 56.00 2gqb h MET 105 Cb 0.66 0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.71 2gqb h MET 105 CO 0.00 0.76 -0.16 -0.97 0.14 0.00 0.00 176.91 176.69 2gqb h ASN 106 N 0.23 0.51 0.10 1.39 -1.24 -0.82 -2.29 115.58 113.47 2gqb h ASN 106 Ca 0.00 -0.14 -0.00 0.00 0.71 0.00 0.00 56.30 56.87 2gqb h ASN 106 Cb 1.02 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.94 2gqb h ASN 106 CO 0.09 0.69 -0.05 0.40 -1.29 0.00 0.00 177.43 177.26 2gqb h ILE 107 N 0.47 0.58 -0.24 2.57 2.04 -1.56 -2.76 117.51 118.62 2gqb h ILE 107 Ca 0.08 -1.24 0.05 0.00 1.00 0.00 0.00 64.86 64.75 2gqb h ILE 107 Cb 0.55 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.62 2gqb h ILE 107 CO 0.04 0.18 -0.09 -0.25 0.00 0.00 0.00 178.15 178.02 2gqb h TRP 108 N -0.98 -0.21 -0.17 1.37 7.01 -1.31 -2.08 115.95 119.57 2gqb h TRP 108 Ca -0.01 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 60.93 2gqb h TRP 108 Cb 0.40 0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 2gqb h TRP 108 CO 0.08 -0.15 -0.25 1.25 -2.79 0.00 0.00 178.44 176.58 2gqb h LEU 109 N -0.05 0.32 -0.52 0.65 6.46 -1.56 -2.23 115.31 118.38 2gqb h LEU 109 Ca 0.12 -0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2gqb h LEU 109 Cb 0.23 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.05 2gqb h LEU 109 CO -0.27 0.57 0.34 -0.74 -0.62 0.00 0.00 178.44 177.72 2gqb h HIS 110 N 0.29 0.66 -0.23 1.25 2.76 -1.08 -1.35 115.15 117.44 2gqb h HIS 110 Ca 0.05 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.14 2gqb h HIS 110 Cb 0.60 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 29.33 2gqb h HIS 110 CO 0.01 0.42 -0.21 0.87 -1.30 0.00 0.00 177.93 177.73 2gqb h LYS 111 N 0.70 0.54 -0.58 5.26 1.57 -1.05 -2.22 116.57 120.80 2gqb h LYS 111 Ca 0.19 -0.28 -0.10 0.00 -1.87 0.00 0.00 60.65 58.59 2gqb h LYS 111 Cb -0.07 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 2gqb h LYS 111 CO -0.04 0.86 -0.03 0.37 -0.57 0.00 0.00 179.45 180.04 2gqb h GLN 112 N 0.23 1.02 -0.23 3.15 5.75 -1.27 -1.61 115.11 122.15 2gqb h GLN 112 Ca 0.04 -0.33 -0.10 0.00 -0.15 0.00 0.00 58.65 58.11 2gqb h GLN 112 Cb 0.75 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.20 2gqb h GLN 112 CO 0.05 1.02 -0.29 0.28 -2.65 0.00 0.00 178.83 177.23 2gqb h VAL 113 N 0.93 1.28 -0.39 2.39 2.07 -1.27 -2.64 116.25 118.61 2gqb h VAL 113 Ca 0.16 -1.34 -0.04 0.00 0.82 0.00 0.00 66.70 66.30 2gqb h VAL 113 Cb 0.57 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 2gqb h VAL 113 CO 0.03 0.42 0.07 0.24 0.02 0.00 0.00 177.57 178.36 2gqb h MET 114 N 0.40 0.58 0.00 1.57 2.86 -0.76 -0.67 114.93 118.90 2gqb h MET 114 Ca 0.05 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2gqb h MET 114 Cb 0.72 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.29 2gqb h MET 114 CO 0.06 0.55 0.00 0.43 1.06 0.00 0.00 176.91 179.00 2gqb n SER 115 N -4.31 0.25 -0.04 1.22 7.64 -0.67 -2.20 113.62 115.50 2gqb n SER 115 Ca 0.02 0.59 -0.04 0.00 1.01 0.00 0.00 58.87 60.46 2gqb n SER 115 Cb 0.21 -0.63 -0.01 0.00 -1.01 0.00 0.00 64.21 62.76 2gqb n SER 115 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2gqb n LYS 116 N -1.81 0.27 -0.03 1.43 4.76 -0.35 -4.36 118.16 118.07 2gqb n LYS 116 Ca 0.01 0.17 -0.04 0.00 -2.87 0.00 0.00 58.31 55.57 2gqb n LYS 116 Cb 0.07 -1.03 -0.03 0.00 -1.84 0.00 0.00 35.03 32.20 2gqb n LYS 116 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2gqb h LEU 117 N -0.52 -0.56 -0.71 -0.35 3.38 -1.21 -1.39 115.31 113.95 2gqb h LEU 117 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2gqb h LEU 117 Cb 0.47 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2gqb h LEU 117 CO 0.00 -0.14 0.00 1.33 0.09 0.00 0.00 178.44 179.72 2gqb n VAL 118 N -3.50 0.83 1.32 1.22 0.24 -0.94 -0.73 118.33 116.77 2gqb n VAL 118 Ca -0.01 0.23 0.14 0.00 -2.04 0.00 0.00 64.34 62.66 2gqb n VAL 118 Cb 0.11 -1.17 0.61 0.00 -1.47 0.00 0.00 33.84 31.92 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 -1.78 2.72 1.11 2.33 0.00 -0.58 -2.12 120.51 122.19 2gqb n ALA 119 Ca 0.02 -0.23 0.14 0.00 0.00 0.00 0.00 53.44 53.37 2gqb n ALA 119 Cb 0.23 -1.36 0.57 0.00 0.00 0.00 0.00 19.45 18.88 2gqb n ALA 119 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2gqb n ASN 120 N -1.14 0.15 0.00 0.00 5.03 0.09 -4.86 115.26 114.53 2gqb n ASN 120 Ca 0.13 0.14 0.00 0.00 0.87 0.00 0.00 54.58 55.72 2gqb n ASN 120 Cb 0.28 -0.28 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 2gqb n ASN 120 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2gqb n GLY 121 N 1.44 1.76 3.72 7.41 0.00 -1.08 -5.10 105.19 113.35 2gqb n GLY 121 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 2gqb n GLY 121 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gqb s GLY 122 N -1.76 1.97 -0.06 -0.02 0.00 -0.90 -3.12 107.32 103.44 2gqb s GLY 122 Ca 0.00 -0.72 -0.13 0.00 0.00 0.00 0.00 44.72 43.86 2gqb s GLY 122 CO 0.00 -0.19 0.34 1.25 0.00 0.00 0.00 173.10 174.50 2gqb s LYS 123 N -0.28 3.92 0.08 2.90 2.36 0.21 -4.52 119.74 124.40 2gqb s LYS 123 Ca 0.09 0.24 0.07 0.00 -2.55 0.00 0.00 55.97 53.82 2gqb s LYS 123 Cb -0.12 -3.27 -0.03 0.00 -1.05 0.00 0.00 37.83 33.36 2gqb s LYS 123 CO 0.01 0.59 -0.18 -0.48 1.55 0.00 0.00 175.35 176.84 2gqb s LEU 124 N -0.66 2.27 0.69 5.43 -0.00 -1.26 -1.79 118.68 123.36 2gqb s LEU 124 Ca 0.21 -0.63 -0.11 0.00 -0.00 0.00 0.00 54.13 53.59 2gqb s LEU 124 Cb -0.15 -0.72 0.00 0.00 -0.00 0.00 0.00 46.19 45.32 2gqb s LEU 124 CO 0.09 0.01 1.06 -2.84 -0.00 0.00 0.00 176.35 174.67 2gqb s PRO 125 N -1.74 3.00 0.00 1.48 0.02 -1.26 -4.92 135.00 131.58 2gqb s PRO 125 Ca 0.03 0.77 0.00 0.00 0.02 0.00 0.00 61.00 61.82 2gqb s PRO 125 Cb -0.10 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.41 2gqb s PRO 125 CO 0.03 -1.00 0.21 -2.30 -0.33 0.00 0.00 177.00 173.61 2gqb n PRO 126 N -3.04 0.32 0.11 5.54 -0.02 -1.26 -2.09 135.00 134.55 2gqb n PRO 126 Ca 0.07 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.67 2gqb n PRO 126 Cb 0.55 -1.11 0.18 0.00 -0.02 0.00 0.00 33.50 33.10 2gqb n PRO 126 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2gqb h GLU 127 N 0.46 0.00 -5.54 -0.52 5.08 -1.95 -3.44 114.58 108.67 2gqb h GLU 127 Ca 0.00 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.73 2gqb h GLU 127 Cb 0.11 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.23 2gqb h GLU 127 CO 0.00 0.00 0.19 0.42 -1.00 0.00 0.00 179.01 178.62 2gqb s ILE 128 N -3.20 4.86 -0.25 3.13 -1.09 -0.89 -4.77 121.20 118.99 2gqb s ILE 128 Ca 0.06 0.67 -0.29 0.00 -2.23 0.00 0.00 60.65 58.86 2gqb s ILE 128 Cb 0.11 -4.10 0.00 0.00 -1.58 0.00 0.00 42.46 36.90 2gqb s ILE 128 CO 0.70 -0.32 1.15 -0.75 -1.23 0.00 0.00 174.94 174.49 2gqb s LYS 129 N 2.77 4.14 0.00 2.79 2.36 -1.26 -5.04 119.74 125.50 2gqb s LYS 129 Ca 0.26 1.34 0.00 0.00 -2.55 0.00 0.00 55.97 55.02 2gqb s LYS 129 Cb -0.14 -3.74 0.00 0.00 -1.05 0.00 0.00 37.83 32.90 2gqb s LYS 129 CO 0.15 -0.80 0.26 1.58 1.55 0.00 0.00 175.35 178.08