#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 6.63 0.42 7.83 0.01 -1.26 -4.36 113.70 122.96 2gqb s SER 2 Ca 0.00 -2.36 0.18 0.00 1.31 0.00 0.00 55.95 55.08 2gqb s SER 2 Cb 0.00 -2.26 0.92 0.00 0.21 0.00 0.00 66.02 64.90 2gqb s SER 2 CO 0.00 -0.75 1.88 0.40 0.41 0.00 0.00 173.24 175.18 2gqb h ILE 3 N 5.20 0.99 0.00 1.44 2.04 -1.92 -1.30 117.51 123.97 2gqb h ILE 3 Ca 0.04 -1.09 -0.02 0.00 1.00 0.00 0.00 64.86 64.80 2gqb h ILE 3 Cb 1.05 1.62 -0.00 0.00 -0.74 0.00 0.00 36.82 38.75 2gqb h ILE 3 CO 0.88 0.29 -0.09 2.19 0.00 0.00 0.00 178.15 181.42 2gqb h PHE 4 N 0.00 0.00 -0.01 1.37 -5.15 -1.93 0.17 116.94 111.39 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 0.60 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.77 2gqb h PHE 4 CO 0.00 0.09 -0.39 0.41 -2.00 0.00 0.00 178.31 176.42 2gqb n GLY 5 N -0.97 -0.72 0.13 6.09 0.00 -0.51 -3.64 105.19 105.57 2gqb n GLY 5 Ca -0.02 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.37 2gqb n GLY 5 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gqb n LYS 6 N -0.84 0.71 -0.07 1.61 5.02 0.07 -4.05 118.16 120.60 2gqb n LYS 6 Ca 0.10 0.21 -0.07 0.00 -2.02 0.00 0.00 58.31 56.52 2gqb n LYS 6 Cb 0.36 -1.62 0.10 0.00 -0.02 0.00 0.00 35.03 33.85 2gqb n LYS 6 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 2gqb h ILE 7 N 0.03 1.27 0.00 -0.18 3.07 -0.93 -2.68 117.51 118.09 2gqb h ILE 7 Ca -0.50 -1.35 0.00 0.00 1.55 0.00 0.00 64.86 64.56 2gqb h ILE 7 Cb 1.97 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 39.76 2gqb h ILE 7 CO 0.00 0.45 0.00 1.15 -1.05 0.00 0.00 178.15 178.70 2gqb n MET 8 N -4.11 0.03 0.22 0.16 0.00 -1.24 -2.49 117.12 109.70 2gqb n MET 8 Ca -0.00 0.18 0.06 0.00 0.00 0.00 0.00 57.70 57.95 2gqb n MET 8 Cb 0.44 -1.55 0.52 0.00 0.00 0.00 0.00 33.22 32.63 2gqb n MET 8 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 2gqb h SER 9 N 0.00 0.00 -0.17 3.17 0.87 -1.61 0.40 113.55 116.20 2gqb h SER 9 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2gqb h SER 9 Cb 0.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2gqb h SER 9 CO 0.00 0.21 0.00 0.00 -0.53 0.00 0.00 176.83 176.51 2gqb n ALA 10 N -2.45 2.48 -0.06 6.23 0.00 -1.04 -2.92 120.51 122.75 2gqb n ALA 10 Ca -0.02 -0.72 -0.12 0.00 0.00 0.00 0.00 53.44 52.58 2gqb n ALA 10 Cb 0.28 -0.94 -0.04 0.00 0.00 0.00 0.00 19.45 18.75 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 1.03 1.16 0.33 0.00 5.41 -0.41 -4.61 119.36 122.27 2gqb n ILE 11 Ca 0.17 0.01 0.07 0.00 1.00 0.00 0.00 62.75 64.00 2gqb n ILE 11 Cb 0.51 -1.89 0.22 0.00 -0.71 0.00 0.00 39.64 37.78 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 -3.92 0.78 -0.73 1.39 3.01 0.13 -3.89 117.46 114.24 2gqb n PHE 12 Ca -0.20 -0.35 0.07 0.00 1.01 0.00 0.00 57.45 57.97 2gqb n PHE 12 Cb 0.52 -0.06 0.14 0.00 -0.01 0.00 0.00 39.48 40.06 2gqb n PHE 12 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2gqb n GLY 13 N 1.13 4.06 3.07 1.37 0.00 -1.15 -5.00 105.19 108.67 2gqb n GLY 13 Ca 0.17 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.06 0.92 0.00 1.61 2.15 -1.25 -4.93 116.67 113.10 2gqb s ASP 14 Ca 0.26 -0.57 0.00 0.00 0.43 0.00 0.00 52.55 52.68 2gqb s ASP 14 Cb 0.22 0.03 0.00 0.00 -0.30 0.00 0.00 42.92 42.87 2gqb s ASP 14 CO 0.05 -0.20 0.36 -0.24 -0.17 0.00 0.00 175.17 174.97 2gqb n SER 15 N 1.40 0.00 0.00 -0.34 2.88 -1.26 -4.95 113.62 111.35 2gqb n SER 15 Ca -0.22 -1.13 0.00 0.00 -1.33 0.00 0.00 58.87 56.19 2gqb n SER 15 Cb 0.55 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 2gqb n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2gqb n ALA 16 N 0.00 1.37 -2.43 -1.46 0.00 -1.26 -4.77 120.51 111.95 2gqb n ALA 16 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 2gqb n ALA 16 Cb 0.53 0.02 -0.02 0.00 0.00 0.00 0.00 19.45 19.97 2gqb n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gqb s ALA 17 N -1.06 2.77 -1.64 0.00 0.00 -1.26 -3.84 121.76 116.73 2gqb s ALA 17 Ca 0.00 -2.53 -0.01 0.00 0.00 0.00 0.00 51.96 49.42 2gqb s ALA 17 Cb 0.00 -4.63 0.00 0.00 0.00 0.00 0.00 23.12 18.50 2gqb s ALA 17 CO 0.00 -3.87 0.12 0.00 0.00 0.00 0.00 175.76 172.01 2gqb n ALA 18 N 10.12 -0.65 -1.69 0.00 0.00 -1.26 -4.95 120.51 122.08 2gqb n ALA 18 Ca 0.44 0.18 -0.37 0.00 0.00 0.00 0.00 53.44 53.70 2gqb n ALA 18 Cb 0.47 -2.44 0.07 0.00 0.00 0.00 0.00 19.45 17.55 2gqb n ALA 18 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2gqb s SER 19 N -2.24 4.59 -0.45 0.00 1.04 -1.25 -4.84 113.70 110.56 2gqb s SER 19 Ca 0.06 2.58 -0.26 0.00 0.48 0.00 0.00 55.95 58.81 2gqb s SER 19 Cb -0.03 -2.61 -0.06 0.00 0.10 0.00 0.00 66.02 63.42 2gqb s SER 19 CO 0.07 -2.01 2.36 -2.16 0.98 0.00 0.00 173.24 172.48 2gqb s PRO 20 N -3.43 2.29 -0.28 4.02 0.04 -1.26 -4.89 135.00 131.49 2gqb s PRO 20 Ca 0.81 1.49 -0.19 0.00 0.04 0.00 0.00 61.00 63.15 2gqb s PRO 20 Cb -0.36 -4.54 0.10 0.00 0.04 0.00 0.00 34.50 29.74 2gqb s PRO 20 CO 0.40 -3.06 0.83 0.20 0.04 0.00 0.00 177.00 175.41 2gqb s GLY 21 N 11.40 -0.36 -1.10 0.56 0.00 -1.26 -5.09 107.32 111.46 2gqb s GLY 21 Ca 0.97 2.60 -0.18 0.00 0.00 0.00 0.00 44.72 48.10 2gqb s GLY 21 CO 0.27 2.25 1.41 -0.32 0.00 0.00 0.00 173.10 176.71 2gqb s GLY 22 N 1.09 1.82 -0.16 0.20 0.00 -1.26 -4.91 107.32 104.10 2gqb s GLY 22 Ca -0.06 -2.82 -0.04 0.00 0.00 0.00 0.00 44.72 41.81 2gqb s GLY 22 CO -0.13 2.34 0.22 0.00 0.00 0.00 0.00 173.10 175.54 2gqb s ALA 23 N 3.32 -0.32 -0.21 3.20 0.00 -1.26 -5.13 121.76 121.36 2gqb s ALA 23 Ca 0.43 0.50 -0.17 0.00 0.00 0.00 0.00 51.96 52.72 2gqb s ALA 23 Cb -0.01 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 2gqb s ALA 23 CO -0.04 -0.91 0.45 -0.65 0.00 0.00 0.00 175.76 174.62 2gqb s GLN 24 N 2.34 4.16 -0.31 0.00 -1.52 -1.26 -5.05 119.66 118.02 2gqb s GLN 24 Ca 0.05 0.28 -0.23 0.00 -1.95 0.00 0.00 55.36 53.51 2gqb s GLN 24 Cb -0.14 -3.57 0.00 0.00 -0.22 0.00 0.00 33.01 29.09 2gqb s GLN 24 CO -0.10 -0.13 0.77 0.00 -0.25 0.00 0.00 175.29 175.58 2gqb s ALA 25 N 1.58 3.52 -0.10 6.09 0.00 -1.26 -5.02 121.76 126.57 2gqb s ALA 25 Ca 0.21 -0.47 -0.30 0.00 0.00 0.00 0.00 51.96 51.40 2gqb s ALA 25 Cb -0.15 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 2gqb s ALA 25 CO 0.09 -1.21 1.48 -1.25 0.00 0.00 0.00 175.76 174.86 2gqb s PRO 26 N 2.93 4.21 -1.17 0.00 0.04 -1.26 -4.94 135.00 134.80 2gqb s PRO 26 Ca 0.31 1.96 -0.18 0.00 0.04 0.00 0.00 61.00 63.13 2gqb s PRO 26 Cb -0.14 -3.87 0.10 0.00 0.04 0.00 0.00 34.50 30.62 2gqb s PRO 26 CO 0.13 -0.77 1.53 0.00 0.04 0.00 0.00 177.00 177.92 2gqb s ALA 27 N 3.73 3.34 -0.34 8.56 0.00 -1.26 -4.95 121.76 130.84 2gqb s ALA 27 Ca 0.65 -2.85 -0.28 0.00 0.00 0.00 0.00 51.96 49.48 2gqb s ALA 27 Cb -0.28 -4.43 -0.03 0.00 0.00 0.00 0.00 23.12 18.38 2gqb s ALA 27 CO 0.23 -3.22 1.91 0.99 0.00 0.00 0.00 175.76 175.67 2gqb s THR 28 N 3.63 3.36 -0.02 0.00 2.01 -1.26 -4.95 115.64 118.40 2gqb s THR 28 Ca 0.47 0.35 0.03 0.00 0.31 0.00 0.00 61.69 62.85 2gqb s THR 28 Cb 0.00 -3.51 -0.00 0.00 0.01 0.00 0.00 72.50 69.00 2gqb s THR 28 CO -0.00 -0.35 -0.10 -0.89 -0.69 0.00 0.00 174.62 172.59 2gqb s THR 29 N 7.56 0.82 -3.62 -0.82 2.01 -1.26 -5.02 115.64 115.32 2gqb s THR 29 Ca 0.84 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 62.42 2gqb s THR 29 Cb -0.24 -0.71 0.00 0.00 0.01 0.00 0.00 72.50 71.56 2gqb s THR 29 CO 0.33 0.25 0.00 0.61 -0.69 0.00 0.00 174.62 175.11 2gqb n GLY 30 N 3.06 0.74 3.46 4.40 0.00 -1.26 -5.00 105.19 110.59 2gqb n GLY 30 Ca -0.16 -1.86 -0.37 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.28 3.24 -0.17 4.61 0.00 -1.26 -4.79 121.76 122.12 2gqb s ALA 31 Ca 0.00 -1.22 -0.09 0.00 0.00 0.00 0.00 51.96 50.66 2gqb s ALA 31 Cb 0.00 -2.23 0.03 0.00 0.00 0.00 0.00 23.12 20.93 2gqb s ALA 31 CO 0.00 -0.64 0.17 0.00 0.00 0.00 0.00 175.76 175.29 2gqb n ALA 32 N 4.96 -3.57 -2.60 0.00 0.00 -1.26 -5.07 120.51 112.97 2gqb n ALA 32 Ca -0.15 1.74 -0.19 0.00 0.00 0.00 0.00 53.44 54.84 2gqb n ALA 32 Cb 0.51 -3.40 -0.12 0.00 0.00 0.00 0.00 19.45 16.44 2gqb n ALA 32 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2gqb s GLY 33 N -0.67 0.98 -0.59 0.00 0.00 -1.26 -5.09 107.32 100.70 2gqb s GLY 33 Ca -0.20 -1.14 -0.13 0.00 0.00 0.00 0.00 44.72 43.25 2gqb s GLY 33 CO 0.64 -1.18 0.51 -1.59 0.00 0.00 0.00 173.10 171.49 2gqb s THR 34 N -1.62 4.95 -0.26 0.90 2.01 -1.26 -5.03 115.64 115.33 2gqb s THR 34 Ca 0.03 -1.87 -0.06 0.00 0.31 0.00 0.00 61.69 60.10 2gqb s THR 34 Cb -0.08 -4.17 -0.00 0.00 0.01 0.00 0.00 72.50 68.26 2gqb s THR 34 CO 0.03 -0.88 0.03 0.00 -0.69 0.00 0.00 174.62 173.10 2gqb s ALA 35 N 1.13 2.98 0.62 7.40 0.00 -1.26 -5.03 121.76 127.60 2gqb s ALA 35 Ca 0.08 -1.30 -0.10 0.00 0.00 0.00 0.00 51.96 50.64 2gqb s ALA 35 Cb -0.24 -1.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.89 2gqb s ALA 35 CO -0.01 -0.67 1.01 -1.25 0.00 0.00 0.00 175.76 174.84 2gqb s PRO 36 N 1.50 3.43 -0.29 0.00 0.04 -1.26 -5.07 135.00 133.36 2gqb s PRO 36 Ca 0.04 0.61 0.03 0.00 0.04 0.00 0.00 61.00 61.72 2gqb s PRO 36 Cb -0.16 -2.11 0.08 0.00 0.04 0.00 0.00 34.50 32.35 2gqb s PRO 36 CO 0.00 -0.62 -0.04 -0.08 0.04 0.00 0.00 177.00 176.30 2gqb s THR 37 N -3.16 2.16 0.28 1.26 -1.32 -1.26 -5.12 115.64 108.48 2gqb s THR 37 Ca 0.55 -1.89 -0.08 0.00 -1.21 0.00 0.00 61.69 59.06 2gqb s THR 37 Cb -0.11 -2.40 -0.06 0.00 -1.51 0.00 0.00 72.50 68.41 2gqb s THR 37 CO 0.52 -0.26 0.58 0.00 -2.21 0.00 0.00 174.62 173.25 2gqb s ALA 38 N 1.05 3.56 -0.33 11.08 0.00 -1.26 -5.05 121.76 130.81 2gqb s ALA 38 Ca -0.01 -0.38 -0.29 0.00 0.00 0.00 0.00 51.96 51.28 2gqb s ALA 38 Cb -0.20 -2.41 0.02 0.00 0.00 0.00 0.00 23.12 20.53 2gqb s ALA 38 CO -0.07 0.33 1.08 -2.14 0.00 0.00 0.00 175.76 174.97 2gqb s PRO 39 N -3.25 4.04 -0.44 0.00 0.02 -1.26 -5.02 135.00 129.10 2gqb s PRO 39 Ca 0.46 1.05 -0.19 0.00 0.02 0.00 0.00 61.00 62.34 2gqb s PRO 39 Cb -0.11 -3.75 0.03 0.00 0.02 0.00 0.00 34.50 30.69 2gqb s PRO 39 CO 0.26 -0.93 0.56 -0.65 -0.33 0.00 0.00 177.00 175.91 2gqb s GLN 40 N 3.71 3.20 -0.71 5.54 1.11 -1.26 -5.02 119.66 126.23 2gqb s GLN 40 Ca 0.46 -0.55 -0.27 0.00 0.01 0.00 0.00 55.36 55.01 2gqb s GLN 40 Cb -0.12 -3.97 0.03 0.00 -1.01 0.00 0.00 33.01 27.95 2gqb s GLN 40 CO 0.16 -0.96 1.24 -2.14 0.01 0.00 0.00 175.29 173.60 2gqb s PRO 41 N 2.55 3.23 -0.79 2.91 0.02 -1.26 -4.97 135.00 136.69 2gqb s PRO 41 Ca 0.18 -0.22 -0.26 0.00 0.02 0.00 0.00 61.00 60.72 2gqb s PRO 41 Cb -0.15 -4.16 0.01 0.00 0.02 0.00 0.00 34.50 30.22 2gqb s PRO 41 CO 0.17 -2.05 1.54 0.99 -0.33 0.00 0.00 177.00 177.32 2gqb s THR 42 N 5.47 3.64 0.02 0.99 2.01 -1.26 -4.95 115.64 121.56 2gqb s THR 42 Ca 0.35 0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.38 2gqb s THR 42 Cb -0.09 -4.60 -0.01 0.00 0.01 0.00 0.00 72.50 67.81 2gqb s THR 42 CO 0.16 -1.54 -0.08 0.00 -0.69 0.00 0.00 174.62 172.47 2gqb s ALA 43 N 6.92 0.67 -0.37 7.40 0.00 -1.26 -5.11 121.76 130.00 2gqb s ALA 43 Ca 0.49 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 51.97 2gqb s ALA 43 Cb -0.07 -0.09 0.18 0.00 0.00 0.00 0.00 23.12 23.14 2gqb s ALA 43 CO 0.09 0.10 0.72 0.00 0.00 0.00 0.00 175.76 176.67 2gqb s ALA 44 N -0.65 -2.83 -0.34 0.00 0.00 -1.26 -5.02 121.76 111.67 2gqb s ALA 44 Ca -0.01 0.57 0.27 0.00 0.00 0.00 0.00 51.96 52.79 2gqb s ALA 44 Cb -0.06 -2.77 0.80 0.00 0.00 0.00 0.00 23.12 21.09 2gqb s ALA 44 CO 0.00 -2.21 1.76 -1.00 0.00 0.00 0.00 175.76 174.31 2gqb h PRO 45 N 6.86 0.00 -3.53 0.00 0.13 -2.00 -3.45 132.00 130.01 2gqb h PRO 45 Ca 0.02 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.00 2gqb h PRO 45 Cb 1.19 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.11 2gqb h PRO 45 CO 0.07 0.00 -0.52 0.45 -0.23 0.00 0.00 178.00 177.77 2gqb s SER 46 N -5.54 0.02 -0.30 1.44 0.15 -1.26 -5.11 113.70 103.10 2gqb s SER 46 Ca 0.06 -0.16 -0.07 0.00 0.70 0.00 0.00 55.95 56.47 2gqb s SER 46 Cb 0.08 0.21 0.01 0.00 -1.71 0.00 0.00 66.02 64.61 2gqb s SER 46 CO 0.59 -0.32 0.09 -0.63 1.20 0.00 0.00 173.24 174.17 2gqb s ILE 47 N -1.19 4.07 -0.36 6.45 -1.09 -1.07 -4.99 121.20 123.02 2gqb s ILE 47 Ca -0.13 -0.66 -0.22 0.00 -2.23 0.00 0.00 60.65 57.41 2gqb s ILE 47 Cb -0.07 -3.10 0.01 0.00 -1.58 0.00 0.00 42.46 37.72 2gqb s ILE 47 CO 0.01 0.07 0.71 -0.62 -1.23 0.00 0.00 174.94 173.88 2gqb s ASP 48 N 1.52 6.48 0.29 3.58 -1.08 -1.26 0.69 116.67 126.89 2gqb s ASP 48 Ca 0.03 0.24 0.23 0.00 -0.52 0.00 0.00 52.55 52.52 2gqb s ASP 48 Cb -0.17 -2.36 0.13 0.00 -1.46 0.00 0.00 42.92 39.06 2gqb s ASP 48 CO 0.03 -0.66 1.26 0.58 0.52 0.00 0.00 175.17 176.90 2gqb h VAL 49 N 5.71 0.01 0.45 1.11 2.07 -1.82 -3.39 116.25 120.40 2gqb h VAL 49 Ca -0.26 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.22 2gqb h VAL 49 Cb 1.10 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 2gqb h VAL 49 CO 0.87 0.01 -0.22 0.00 0.02 0.00 0.00 177.57 178.25 2gqb h ALA 50 N 1.99 -0.61 0.00 1.67 0.00 -1.91 -2.29 119.26 118.11 2gqb h ALA 50 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2gqb h ALA 50 Cb 1.01 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2gqb h ALA 50 CO 0.00 -0.85 0.00 -0.35 0.00 0.00 0.00 179.25 178.05 2gqb n PRO 51 N -5.36 0.05 -0.08 0.00 -0.04 -1.26 -1.05 135.00 127.26 2gqb n PRO 51 Ca -0.11 0.36 -0.13 0.00 -0.04 0.00 0.00 63.50 63.58 2gqb n PRO 51 Cb 0.26 -1.62 -0.08 0.00 -0.04 0.00 0.00 33.50 32.03 2gqb n PRO 51 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2gqb h ILE 52 N 0.00 0.75 0.11 0.52 2.04 -1.69 -3.35 117.51 115.89 2gqb h ILE 52 Ca 0.00 -1.76 -0.27 0.00 1.00 0.00 0.00 64.86 63.83 2gqb h ILE 52 Cb 0.21 1.61 0.01 0.00 -0.74 0.00 0.00 36.82 37.91 2gqb h ILE 52 CO 0.00 0.25 -1.20 -0.07 0.00 0.00 0.00 178.15 177.13 2gqb h LEU 53 N -1.00 0.56 -1.31 1.44 4.07 -1.25 -1.95 115.31 115.87 2gqb h LEU 53 Ca -0.14 -0.55 -0.05 0.00 0.08 0.00 0.00 57.88 57.22 2gqb h LEU 53 Cb 0.87 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.41 2gqb h LEU 53 CO -0.09 1.40 -0.04 -0.78 -1.08 0.00 0.00 178.44 177.85 2gqb h ASP 54 N 0.15 0.39 0.54 -0.43 3.58 -1.32 -1.12 116.42 118.21 2gqb h ASP 54 Ca -0.14 -0.07 -0.27 0.00 0.42 0.00 0.00 57.03 56.96 2gqb h ASP 54 Cb 1.89 -0.10 -0.05 0.00 1.72 0.00 0.00 39.33 42.80 2gqb h ASP 54 CO 0.21 0.48 -1.64 0.11 -2.88 0.00 0.00 179.24 175.53 2gqb h LYS 55 N 0.40 0.00 -0.23 0.28 1.79 -1.70 -3.30 116.57 113.80 2gqb h LYS 55 Ca 0.08 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.54 2gqb h LYS 55 Cb 0.33 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 2gqb h LYS 55 CO 0.01 0.48 0.06 0.00 -1.08 0.00 0.00 179.45 178.93 2gqb h ALA 56 N 1.06 1.67 -0.28 3.86 0.00 -0.91 -1.91 119.26 122.75 2gqb h ALA 56 Ca -0.26 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.62 2gqb h ALA 56 Cb 1.95 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.55 2gqb h ALA 56 CO 0.08 0.26 -0.35 0.28 0.00 0.00 0.00 179.25 179.51 2gqb h VAL 57 N 0.33 0.22 0.00 0.00 2.07 -1.30 0.34 116.25 117.90 2gqb h VAL 57 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.60 2gqb h VAL 57 Cb 0.12 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 2gqb h VAL 57 CO -0.00 0.00 -0.04 2.29 0.02 0.00 0.00 177.57 179.84 2gqb n LYS 58 N -5.42 0.24 0.09 1.57 2.85 -0.98 -2.59 118.16 113.91 2gqb n LYS 58 Ca -0.01 0.19 0.02 0.00 -1.05 0.00 0.00 58.31 57.46 2gqb n LYS 58 Cb 0.34 -1.77 -0.03 0.00 -0.65 0.00 0.00 35.03 32.92 2gqb n LYS 58 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2gqb h ALA 59 N 2.56 0.65 0.04 0.58 0.00 -0.67 -3.33 119.26 119.08 2gqb h ALA 59 Ca 0.00 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 2gqb h ALA 59 Cb 0.72 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2gqb h ALA 59 CO 0.00 0.70 -0.02 -0.22 0.00 0.00 0.00 179.25 179.71 2gqb h LYS 60 N 0.00 -0.05 0.00 0.00 1.63 -0.09 -3.49 116.57 114.57 2gqb h LYS 60 Ca -0.08 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 2gqb h LYS 60 Cb 1.44 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.08 2gqb h LYS 60 CO 0.05 0.48 0.00 0.41 -3.45 0.00 0.00 179.45 176.94 2gqb n GLY 61 N 0.39 2.90 3.98 5.01 0.00 -1.12 -5.12 105.19 111.24 2gqb n GLY 61 Ca -0.09 -0.39 -0.20 0.00 0.00 0.00 0.00 46.02 45.35 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 2.77 -0.41 1.61 -1.05 -1.26 -4.94 118.70 115.42 2gqb s GLU 62 Ca 0.00 -0.90 -0.29 0.00 -0.15 0.00 0.00 54.97 53.63 2gqb s GLU 62 Cb 0.00 -2.62 0.02 0.00 -0.44 0.00 0.00 34.13 31.10 2gqb s GLU 62 CO 0.00 -0.43 1.16 0.21 0.95 0.00 0.00 175.26 177.15 2gqb s LYS 63 N -4.55 3.83 0.41 -4.83 2.36 -1.26 -4.53 119.74 111.17 2gqb s LYS 63 Ca 0.54 0.82 0.07 0.00 -2.55 0.00 0.00 55.97 54.84 2gqb s LYS 63 Cb -0.10 -3.87 -0.07 0.00 -1.05 0.00 0.00 37.83 32.74 2gqb s LYS 63 CO 0.36 -1.23 0.04 -0.51 1.55 0.00 0.00 175.35 175.56 2gqb s LEU 64 N 4.30 2.92 -0.43 5.43 1.43 -1.26 -5.11 118.68 125.96 2gqb s LEU 64 Ca 0.49 -1.31 0.06 0.00 -1.03 0.00 0.00 54.13 52.34 2gqb s LEU 64 Cb -0.10 -1.01 0.18 0.00 0.03 0.00 0.00 46.19 45.29 2gqb s LEU 64 CO 0.26 -0.47 0.58 -1.83 0.23 0.00 0.00 176.35 175.12 2gqb s GLU 65 N -3.75 0.87 0.35 1.70 -1.05 -1.26 -5.01 118.70 110.55 2gqb s GLU 65 Ca 0.36 -0.77 0.23 0.00 -0.15 0.00 0.00 54.97 54.64 2gqb s GLU 65 Cb 0.09 -0.24 1.26 0.00 -0.44 0.00 0.00 34.13 34.80 2gqb s GLU 65 CO 0.19 -1.25 1.71 0.11 0.95 0.00 0.00 175.26 176.97 2gqb h TRP 66 N 6.31 0.00 0.00 4.83 5.08 -1.93 -1.42 115.95 128.82 2gqb h TRP 66 Ca 0.07 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.04 2gqb h TRP 66 Cb 1.11 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.27 2gqb h TRP 66 CO 0.18 0.00 0.00 0.07 -1.28 0.00 0.00 178.44 177.41 2gqb h ARG 67 N 0.00 0.00 0.00 0.12 -0.00 -1.96 -3.34 114.38 109.20 2gqb h ARG 67 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2gqb h ARG 67 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.00 2gqb h ARG 67 CO 0.00 0.00 -0.73 0.25 -0.00 0.00 0.00 179.97 179.49 2gqb n THR 68 N -2.48 0.00 -3.75 0.08 -2.24 -0.59 -4.64 114.28 100.66 2gqb n THR 68 Ca 0.02 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.43 2gqb n THR 68 Cb 0.25 -0.36 -0.07 0.00 -2.10 0.00 0.00 70.33 68.05 2gqb n THR 68 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2gqb s SER 69 N -3.72 6.41 -0.09 3.42 0.01 -0.85 -4.79 113.70 114.09 2gqb s SER 69 Ca 0.00 0.48 -0.04 0.00 1.31 0.00 0.00 55.95 57.71 2gqb s SER 69 Cb 0.00 -2.11 -0.26 0.00 0.21 0.00 0.00 66.02 63.85 2gqb s SER 69 CO 0.00 0.30 0.49 -0.29 0.41 0.00 0.00 173.24 174.16 2gqb h ILE 70 N 4.20 0.74 0.00 1.44 6.09 -1.86 -3.30 117.51 124.82 2gqb h ILE 70 Ca -0.49 -2.46 -0.02 0.00 -1.37 0.00 0.00 64.86 60.51 2gqb h ILE 70 Cb 1.20 2.54 -0.00 0.00 0.47 0.00 0.00 36.82 41.03 2gqb h ILE 70 CO 0.65 0.82 -0.11 0.58 -3.07 0.00 0.00 178.15 177.02 2gqb h VAL 71 N 0.06 0.49 0.09 2.19 2.07 -1.94 -2.65 116.25 116.57 2gqb h VAL 71 Ca -0.38 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 2gqb h VAL 71 Cb 2.04 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 33.18 2gqb h VAL 71 CO 0.10 0.11 -0.05 -0.78 0.02 0.00 0.00 177.57 176.97 2gqb h ASP 72 N 0.00 -0.14 0.28 0.57 1.82 -1.93 -2.69 116.42 114.33 2gqb h ASP 72 Ca -0.00 0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 56.61 2gqb h ASP 72 Cb 0.37 0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.41 2gqb h ASP 72 CO 0.01 -0.08 -0.15 0.17 -1.61 0.00 0.00 179.24 177.58 2gqb h LEU 73 N -0.14 0.00 0.75 2.28 8.10 -1.62 -1.23 115.31 123.45 2gqb h LEU 73 Ca -0.01 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.94 2gqb h LEU 73 Cb 0.11 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.34 2gqb h LEU 73 CO 0.01 0.15 -0.36 -0.03 -4.11 0.00 0.00 178.44 174.11 2gqb h MET 74 N 0.00 -0.97 -0.04 0.17 4.05 -1.44 -2.81 114.93 113.90 2gqb h MET 74 Ca -0.00 0.07 -0.13 0.00 -0.28 0.00 0.00 59.70 59.36 2gqb h MET 74 Cb 0.33 0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.34 2gqb h MET 74 CO 0.02 -0.64 -0.56 1.57 0.23 0.00 0.00 176.91 177.52 2gqb h LYS 75 N -1.01 0.12 -0.77 0.39 2.10 -1.31 -2.89 116.57 113.19 2gqb h LYS 75 Ca -0.10 -0.08 0.15 0.00 -2.00 0.00 0.00 60.65 58.62 2gqb h LYS 75 Cb 0.77 0.01 -0.10 0.00 -0.90 0.00 0.00 32.23 32.01 2gqb h LYS 75 CO 0.17 0.65 0.31 0.00 -2.00 0.00 0.00 179.45 178.58 2gqb h ALA 76 N 1.33 1.11 -0.12 0.07 0.00 -1.06 -2.95 119.26 117.65 2gqb h ALA 76 Ca -0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2gqb h ALA 76 Cb 1.02 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2gqb h ALA 76 CO 0.08 -0.22 0.00 1.28 0.00 0.00 0.00 179.25 180.39 2gqb n LEU 77 N -5.00 0.03 0.00 0.00 7.99 -1.07 -4.78 117.00 114.17 2gqb n LEU 77 Ca 0.15 0.84 0.00 0.00 -0.01 0.00 0.00 56.01 56.99 2gqb n LEU 77 Cb 0.44 -0.48 0.00 0.00 -0.11 0.00 0.00 43.42 43.27 2gqb n LEU 77 CO 0.18 -0.48 0.00 -0.67 -1.51 0.00 0.00 177.39 174.91 2gqb n ASP 78 N -1.94 0.00 -4.87 -1.43 2.03 -1.11 -5.09 116.55 104.13 2gqb n ASP 78 Ca 0.00 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.94 2gqb n ASP 78 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 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 5.33 0.52 5.18 -1.09 -1.10 -4.97 121.20 125.08 2gqb s ILE 79 Ca 0.00 0.36 0.23 0.00 -2.23 0.00 0.00 60.65 59.01 2gqb s ILE 79 Cb 0.00 -3.53 0.37 0.00 -1.58 0.00 0.00 42.46 37.72 2gqb s ILE 79 CO 0.00 0.54 2.02 0.44 -1.23 0.00 0.00 174.94 176.72 2gqb h ASP 80 N 4.64 0.01 -1.35 3.58 5.19 -1.91 -3.37 116.42 123.21 2gqb h ASP 80 Ca -0.53 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 55.57 2gqb h ASP 80 Cb 1.22 -0.00 -0.12 0.00 0.18 0.00 0.00 39.33 40.60 2gqb h ASP 80 CO 0.61 0.01 -0.29 -1.54 -3.12 0.00 0.00 179.24 174.91 2gqb n SER 81 N -4.41 -4.11 -3.96 6.45 3.41 -1.26 -4.96 113.62 104.78 2gqb n SER 81 Ca 0.07 0.37 -0.23 0.00 -0.26 0.00 0.00 58.87 58.83 2gqb n SER 81 Cb 0.50 -3.74 0.14 0.00 -0.26 0.00 0.00 64.21 60.84 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 -0.81 0.67 -0.15 4.04 2.88 -1.26 -4.74 113.62 114.25 2gqb n SER 82 Ca -0.16 -1.73 -0.04 0.00 -1.33 0.00 0.00 58.87 55.62 2gqb n SER 82 Cb 0.52 -0.72 0.02 0.00 -0.75 0.00 0.00 64.21 63.28 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 -0.63 -0.43 2.46 7.12 -1.99 -1.87 115.31 119.96 2gqb h LEU 83 Ca -0.33 0.16 0.08 0.00 0.13 0.00 0.00 57.88 57.93 2gqb h LEU 83 Cb 1.05 0.36 -0.07 0.00 -0.53 0.00 0.00 40.66 41.47 2gqb h LEU 83 CO 0.29 -0.21 -0.02 0.28 -0.13 0.00 0.00 178.44 178.64 2gqb h SER 84 N -0.08 -0.23 0.78 1.25 0.02 -1.99 -1.07 113.55 112.24 2gqb h SER 84 Ca 0.22 0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 61.25 2gqb h SER 84 Cb 0.42 0.20 0.01 0.00 0.14 0.00 0.00 62.40 63.17 2gqb h SER 84 CO -0.52 -0.08 -0.38 0.00 -1.14 0.00 0.00 176.83 174.72 2gqb h ALA 85 N 1.40 -1.06 0.00 3.77 0.00 -1.71 -1.26 119.26 120.39 2gqb h ALA 85 Ca 0.22 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2gqb h ALA 85 Cb 0.32 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2gqb h ALA 85 CO -0.38 -0.99 -0.05 0.07 0.00 0.00 0.00 179.25 177.90 2gqb h ARG 86 N -1.27 0.00 0.08 0.00 0.11 -1.41 -1.12 114.38 110.77 2gqb h ARG 86 Ca -0.11 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.97 2gqb h ARG 86 Cb 0.80 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.89 2gqb h ARG 86 CO 0.18 0.05 -0.04 -0.22 0.10 0.00 0.00 179.97 180.04 2gqb h LYS 87 N 0.00 -0.11 -0.04 0.08 1.63 -1.05 -3.19 116.57 113.89 2gqb h LYS 87 Ca -0.00 0.01 -0.16 0.00 -0.85 0.00 0.00 60.65 59.65 2gqb h LYS 87 Cb 0.12 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 2gqb h LYS 87 CO 0.01 0.37 -0.69 1.05 -3.45 0.00 0.00 179.45 176.74 2gqb h GLU 88 N -0.64 0.21 -0.61 1.90 4.11 -0.73 -2.17 114.58 116.64 2gqb h GLU 88 Ca -0.01 -0.16 0.00 0.00 0.07 0.00 0.00 59.36 59.26 2gqb h GLU 88 Cb 0.52 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 2gqb h GLU 88 CO 0.02 0.81 0.39 1.25 0.07 0.00 0.00 179.01 181.55 2gqb h LEU 89 N 0.14 0.71 -0.64 3.06 5.85 -1.33 -0.60 115.31 122.51 2gqb h LEU 89 Ca -0.02 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.54 2gqb h LEU 89 Cb 1.22 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 2gqb h LEU 89 CO 0.10 0.53 -0.28 0.00 -0.34 0.00 0.00 178.44 178.46 2gqb h ALA 90 N 1.21 0.82 -0.95 1.25 0.00 -1.51 -3.08 119.26 116.99 2gqb h ALA 90 Ca 0.22 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.74 2gqb h ALA 90 Cb -0.07 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 2gqb h ALA 90 CO -0.05 0.64 0.62 0.87 0.00 0.00 0.00 179.25 181.34 2gqb h LYS 91 N 0.66 1.26 -0.25 0.00 1.57 -0.70 0.41 116.57 119.52 2gqb h LYS 91 Ca 0.08 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2gqb h LYS 91 Cb 0.80 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 2gqb h LYS 91 CO 0.07 0.84 -0.05 0.93 -0.57 0.00 0.00 179.45 180.67 2gqb h GLU 92 N 1.29 0.39 0.09 3.15 4.39 -1.05 -2.82 114.58 120.02 2gqb h GLU 92 Ca 0.35 -0.08 -0.29 0.00 0.34 0.00 0.00 59.36 59.68 2gqb h GLU 92 Cb -0.13 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.45 2gqb h GLU 92 CO -0.07 0.46 -1.43 -0.07 -1.16 0.00 0.00 179.01 176.74 2gqb h LEU 93 N 0.38 0.30 0.00 1.33 3.38 -1.34 -3.48 115.31 115.87 2gqb h LEU 93 Ca 0.08 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2gqb h LEU 93 Cb 0.33 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2gqb h LEU 93 CO 0.01 1.32 0.00 0.61 0.09 0.00 0.00 178.44 180.48 2gqb n GLY 94 N 1.59 0.71 2.59 0.83 0.00 0.35 -4.92 105.19 106.33 2gqb n GLY 94 Ca -0.13 0.00 -0.04 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 0.00 -2.96 1.61 9.36 0.12 -4.84 117.16 120.45 2gqb n TYR 95 Ca 0.00 0.00 -0.44 0.00 3.32 0.00 0.00 57.90 60.78 2gqb n TYR 95 Cb 0.00 -1.68 -0.03 0.00 -0.63 0.00 0.00 39.34 36.99 2gqb n TYR 95 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2gqb s SER 96 N -2.26 6.44 -0.16 2.98 0.15 -1.26 -4.96 113.70 114.63 2gqb s SER 96 Ca 0.00 -1.69 -0.10 0.00 0.70 0.00 0.00 55.95 54.85 2gqb s SER 96 Cb 0.00 -2.38 0.05 0.00 -1.71 0.00 0.00 66.02 61.98 2gqb s SER 96 CO 0.00 -1.15 0.39 -0.83 1.20 0.00 0.00 173.24 172.85 2gqb s GLY 97 N 3.56 -0.30 0.07 9.45 0.00 -1.26 -5.06 107.32 113.79 2gqb s GLY 97 Ca 0.25 1.34 0.00 0.00 0.00 0.00 0.00 44.72 46.31 2gqb s GLY 97 CO -0.01 1.39 0.00 1.34 0.00 0.00 0.00 173.10 175.82 2gqb n ASP 98 N 3.76 -0.58 0.00 1.64 2.03 -1.26 -4.93 116.55 117.22 2gqb n ASP 98 Ca -0.20 0.13 0.06 0.00 0.52 0.00 0.00 54.79 55.30 2gqb n ASP 98 Cb 0.56 0.90 0.27 0.00 -0.72 0.00 0.00 41.12 42.13 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 -2.65 0.07 0.00 -0.67 0.00 -1.26 -1.50 117.12 111.12 2gqb n MET 99 Ca 0.00 0.25 0.13 0.00 0.00 0.00 0.00 57.70 58.07 2gqb n MET 99 Cb 0.00 -1.50 0.38 0.00 0.00 0.00 0.00 33.22 32.10 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 -1.41 0.48 -1.26 3.17 6.94 -1.26 -5.05 115.26 116.88 2gqb n ASN 100 Ca 0.04 -0.25 0.17 0.00 -0.02 0.00 0.00 54.58 54.52 2gqb n ASN 100 Cb 0.12 0.05 -0.05 0.00 -2.36 0.00 0.00 39.78 37.55 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 -1.31 -7.47 0.26 0.53 2.03 -0.56 -1.23 116.55 108.80 2gqb n ASP 101 Ca 0.08 0.59 0.13 0.00 0.52 0.00 0.00 54.79 56.11 2gqb n ASP 101 Cb 0.33 -3.86 0.71 0.00 -0.72 0.00 0.00 41.12 37.58 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 -1.17 0.00 0.21 1.67 0.02 -1.97 -2.72 113.55 109.59 2gqb h SER 102 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2gqb h SER 102 Cb 1.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.69 2gqb h SER 102 CO 0.02 0.12 -0.11 0.00 -1.14 0.00 0.00 176.83 175.72 2gqb h ALA 103 N 1.88 -1.05 0.00 3.77 0.00 -2.00 -3.07 119.26 118.79 2gqb h ALA 103 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2gqb h ALA 103 Cb 0.39 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2gqb h ALA 103 CO 0.02 -1.03 0.00 0.43 0.00 0.00 0.00 179.25 178.66 2gqb n SER 104 N -2.82 0.00 -0.11 0.00 7.64 -0.36 -2.54 113.62 115.42 2gqb n SER 104 Ca -0.04 -0.27 -0.11 0.00 1.01 0.00 0.00 58.87 59.46 2gqb n SER 104 Cb 0.12 -0.21 0.01 0.00 -1.01 0.00 0.00 64.21 63.12 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 0.90 -0.15 1.43 -1.53 -1.38 0.13 114.93 114.32 2gqb h MET 105 Ca 0.00 -0.44 -0.16 0.00 -3.44 0.00 0.00 59.70 55.66 2gqb h MET 105 Cb 0.17 -0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.21 2gqb h MET 105 CO 0.00 1.09 -0.58 -0.97 0.14 0.00 0.00 176.91 176.59 2gqb h ASN 106 N 0.75 0.55 0.25 1.39 -1.24 -1.45 -2.40 115.58 113.43 2gqb h ASN 106 Ca 0.08 -0.31 -0.01 0.00 0.71 0.00 0.00 56.30 56.77 2gqb h ASN 106 Cb 0.90 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.80 2gqb h ASN 106 CO 0.08 1.01 -0.12 0.40 -1.29 0.00 0.00 177.43 177.51 2gqb h ILE 107 N 0.37 0.76 0.28 2.57 2.04 -1.54 -2.38 117.51 119.61 2gqb h ILE 107 Ca -0.00 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 2gqb h ILE 107 Cb 1.12 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 38.36 2gqb h ILE 107 CO 0.11 0.15 -0.16 -0.25 0.00 0.00 0.00 178.15 178.00 2gqb h TRP 108 N -0.78 -0.41 -0.71 1.37 7.01 -0.82 -2.60 115.95 119.01 2gqb h TRP 108 Ca -0.03 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.04 2gqb h TRP 108 Cb 0.50 0.14 -0.05 0.00 -2.10 0.00 0.00 29.16 27.66 2gqb h TRP 108 CO 0.04 -0.25 0.47 1.25 -2.79 0.00 0.00 178.44 177.16 2gqb h LEU 109 N -0.41 0.59 -1.01 0.65 5.85 -1.53 -0.80 115.31 118.64 2gqb h LEU 109 Ca -0.03 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 2gqb h LEU 109 Cb 0.34 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2gqb h LEU 109 CO 0.04 0.37 0.31 -0.74 -0.34 0.00 0.00 178.44 178.07 2gqb h HIS 110 N 0.66 1.02 0.16 1.25 2.76 -1.05 -1.57 115.15 118.37 2gqb h HIS 110 Ca 0.32 -0.05 -0.25 0.00 -2.20 0.00 0.00 60.37 58.18 2gqb h HIS 110 Cb 0.38 -0.31 0.02 0.00 1.55 0.00 0.00 27.41 29.04 2gqb h HIS 110 CO -0.00 0.76 -1.16 0.87 -1.30 0.00 0.00 177.93 177.10 2gqb h LYS 111 N 1.00 0.33 -0.45 5.26 1.57 -0.95 -2.80 116.57 120.54 2gqb h LYS 111 Ca 0.24 -0.57 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 2gqb h LYS 111 Cb 0.15 0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 2gqb h LYS 111 CO -0.03 1.27 0.26 0.37 -0.57 0.00 0.00 179.45 180.76 2gqb h GLN 112 N -0.23 0.62 -0.31 3.15 5.75 -1.16 -0.91 115.11 122.01 2gqb h GLN 112 Ca -0.22 -0.06 -0.11 0.00 -0.15 0.00 0.00 58.65 58.10 2gqb h GLN 112 Cb 1.80 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 30.21 2gqb h GLN 112 CO 0.15 0.47 -0.28 0.28 -2.65 0.00 0.00 178.83 176.80 2gqb h VAL 113 N 0.59 1.28 -0.05 2.39 2.07 -1.42 -2.88 116.25 118.23 2gqb h VAL 113 Ca 0.16 -1.38 -0.07 0.00 0.82 0.00 0.00 66.70 66.23 2gqb h VAL 113 Cb 0.02 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2gqb h VAL 113 CO -0.03 0.45 -0.28 -0.03 0.02 0.00 0.00 177.57 177.70 2gqb h MET 114 N 0.55 0.08 0.00 1.57 1.85 -1.14 -0.18 114.93 117.67 2gqb h MET 114 Ca 0.07 -0.02 -0.04 0.00 -0.61 0.00 0.00 59.70 59.10 2gqb h MET 114 Cb 0.76 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.78 2gqb h MET 114 CO 0.06 0.36 -0.19 1.03 -0.40 0.00 0.00 176.91 177.77 2gqb h SER 115 N 0.07 0.00 0.46 1.39 0.87 -0.96 0.39 113.55 115.78 2gqb h SER 115 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2gqb h SER 115 Cb 0.53 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 2gqb h SER 115 CO 0.04 0.19 -0.46 0.29 -0.53 0.00 0.00 176.83 176.36 2gqb n LYS 116 N -3.75 0.13 0.00 2.24 4.76 -0.15 -3.91 118.16 117.49 2gqb n LYS 116 Ca -0.02 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 2gqb n LYS 116 Cb 0.30 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 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 -1.37 0.00 0.25 -0.35 0.00 -0.45 -4.69 117.00 110.39 2gqb n LEU 117 Ca 0.07 0.00 0.15 0.00 0.00 0.00 0.00 56.01 56.22 2gqb n LEU 117 Cb 0.34 -0.41 0.44 0.00 0.00 0.00 0.00 43.42 43.78 2gqb n LEU 117 CO 0.33 -0.46 0.90 -0.37 0.00 0.00 0.00 177.39 177.80 2gqb h VAL 118 N 0.00 0.00 0.00 1.96 -1.51 -1.22 -2.57 116.25 112.91 2gqb h VAL 118 Ca 0.00 -0.74 0.00 0.00 -1.23 0.00 0.00 66.70 64.73 2gqb h VAL 118 Cb 0.00 1.73 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 2gqb h VAL 118 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 2gqb n ALA 119 N -2.08 2.24 1.74 5.19 0.00 -1.25 -0.61 120.51 125.73 2gqb n ALA 119 Ca 0.02 -0.12 0.15 0.00 0.00 0.00 0.00 53.44 53.49 2gqb n ALA 119 Cb 0.41 -1.32 0.76 0.00 0.00 0.00 0.00 19.45 19.31 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 -0.98 0.55 0.00 0.00 5.03 -0.97 -4.82 115.26 114.06 2gqb n ASN 120 Ca 0.15 -1.08 0.00 0.00 0.87 0.00 0.00 54.58 54.52 2gqb n ASN 120 Cb 0.07 -0.02 0.00 0.00 -1.02 0.00 0.00 39.78 38.81 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 1.10 1.86 3.85 7.41 0.00 -0.78 -5.06 105.19 113.58 2gqb n GLY 121 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 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 2.39 -0.16 -0.02 0.00 0.22 -2.59 107.32 105.15 2gqb s GLY 122 Ca 0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 44.72 44.31 2gqb s GLY 122 CO 0.00 -0.01 0.12 1.25 0.00 0.00 0.00 173.10 174.45 2gqb s LYS 123 N -1.20 3.84 0.07 2.90 2.36 0.22 -4.73 119.74 123.19 2gqb s LYS 123 Ca 0.23 -0.22 0.02 0.00 -2.55 0.00 0.00 55.97 53.46 2gqb s LYS 123 Cb -0.15 -3.28 -0.03 0.00 -1.05 0.00 0.00 37.83 33.32 2gqb s LYS 123 CO 0.12 0.48 -0.08 -0.48 1.55 0.00 0.00 175.35 176.94 2gqb s LEU 124 N -0.18 2.34 0.52 5.43 -0.00 -1.26 -2.26 118.68 123.26 2gqb s LEU 124 Ca 0.10 -0.70 -0.22 0.00 -0.00 0.00 0.00 54.13 53.30 2gqb s LEU 124 Cb -0.12 -0.19 -0.06 0.00 -0.00 0.00 0.00 46.19 45.83 2gqb s LEU 124 CO 0.01 -0.27 1.26 -0.81 -0.00 0.00 0.00 176.35 176.54 2gqb n PRO 125 N 0.95 1.62 0.00 1.48 -0.04 -1.26 -4.84 135.00 132.91 2gqb n PRO 125 Ca -0.19 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 2gqb n PRO 125 Cb 0.57 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 2gqb n PRO 125 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2gqb n PRO 126 N -0.70 0.41 -0.00 0.54 -0.04 -1.26 -2.41 135.00 131.54 2gqb n PRO 126 Ca 0.10 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.67 2gqb n PRO 126 Cb 0.44 -1.27 -0.16 0.00 -0.04 0.00 0.00 33.50 32.47 2gqb n PRO 126 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2gqb n GLU 127 N 0.63 0.62 -3.94 0.54 -0.58 -1.26 -4.96 120.64 111.69 2gqb n GLU 127 Ca 0.00 -0.17 -0.28 0.00 -0.42 0.00 0.00 57.16 56.28 2gqb n GLU 127 Cb 0.17 -1.53 -0.04 0.00 -0.57 0.00 0.00 31.44 29.47 2gqb n GLU 127 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2gqb s ILE 128 N -3.48 5.29 0.00 -3.67 1.09 -1.01 -4.89 121.20 114.53 2gqb s ILE 128 Ca -0.07 -0.58 -0.00 0.00 -1.10 0.00 0.00 60.65 58.90 2gqb s ILE 128 Cb 0.14 -3.65 0.00 0.00 -1.06 0.00 0.00 42.46 37.89 2gqb s ILE 128 CO 0.90 0.01 0.01 1.17 -0.10 0.00 0.00 174.94 176.93 2gqb n LYS 129 N -0.14 -1.31 0.00 2.79 4.81 -1.26 -5.00 118.16 118.04 2gqb n LYS 129 Ca -0.06 1.33 0.00 0.00 -0.87 0.00 0.00 58.31 58.71 2gqb n LYS 129 Cb 0.53 -1.62 0.00 0.00 0.02 0.00 0.00 35.03 33.95 2gqb n LYS 129 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15