#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 -1.02 -0.21 6.12 7.64 -1.26 -4.85 113.62 120.03 2gqb n SER 2 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.00 2gqb n SER 2 Cb 0.00 -0.51 0.42 0.00 -1.01 0.00 0.00 64.21 63.11 2gqb n SER 2 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2gqb h ILE 3 N 0.00 0.86 -0.16 0.44 2.04 -1.91 -0.34 117.51 118.45 2gqb h ILE 3 Ca 0.00 -0.21 0.03 0.00 1.00 0.00 0.00 64.86 65.68 2gqb h ILE 3 Cb 0.23 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 2gqb h ILE 3 CO 0.00 0.11 0.11 2.19 0.00 0.00 0.00 178.15 180.56 2gqb h PHE 4 N 0.61 0.06 0.00 1.37 -5.15 -1.93 0.29 116.94 112.19 2gqb h PHE 4 Ca 0.39 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 58.15 2gqb h PHE 4 Cb 0.66 -0.02 -0.00 0.00 0.22 0.00 0.00 35.95 36.81 2gqb h PHE 4 CO -0.00 0.04 -0.99 0.78 -2.00 0.00 0.00 178.31 176.13 2gqb h GLY 5 N 0.06 0.00 1.35 6.09 0.00 -1.44 -3.27 103.07 105.87 2gqb h GLY 5 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.11 2gqb h GLY 5 CO -0.01 0.00 -1.45 0.50 0.00 0.00 0.00 176.54 175.59 2gqb h LYS 6 N 0.00 0.19 -0.03 4.80 1.57 -0.25 -3.33 116.57 119.52 2gqb h LYS 6 Ca -0.01 -0.32 -0.21 0.00 -1.87 0.00 0.00 60.65 58.24 2gqb h LYS 6 Cb 1.04 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 2gqb h LYS 6 CO 0.00 1.04 -0.85 -0.84 -0.57 0.00 0.00 179.45 178.23 2gqb h ILE 7 N 0.05 1.40 0.00 1.86 3.07 -0.67 -3.12 117.51 120.10 2gqb h ILE 7 Ca -0.20 -2.34 0.00 0.00 1.55 0.00 0.00 64.86 63.86 2gqb h ILE 7 Cb 1.98 2.30 0.00 0.00 -0.27 0.00 0.00 36.82 40.82 2gqb h ILE 7 CO 0.15 0.70 0.00 0.00 -1.05 0.00 0.00 178.15 177.95 2gqb h MET 8 N 0.24 0.00 -0.31 0.16 -0.00 -1.69 -2.19 114.93 111.13 2gqb h MET 8 Ca -0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.59 2gqb h MET 8 Cb 1.46 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 33.05 2gqb h MET 8 CO 0.15 0.00 -0.03 1.03 -0.00 0.00 0.00 176.91 178.06 2gqb h SER 9 N 0.00 0.46 0.00 -0.10 0.87 -1.65 0.18 113.55 113.31 2gqb h SER 9 Ca 0.00 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2gqb h SER 9 Cb 0.34 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2gqb h SER 9 CO 0.00 0.55 -0.01 0.00 -0.53 0.00 0.00 176.83 176.84 2gqb n ALA 10 N -2.48 2.61 -0.02 6.23 0.00 -0.82 -2.39 120.51 123.64 2gqb n ALA 10 Ca 0.01 -0.41 -0.05 0.00 0.00 0.00 0.00 53.44 52.99 2gqb n ALA 10 Cb 0.26 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.00 1.36 1.06 0.00 5.41 -0.72 -4.47 119.36 122.00 2gqb n ILE 11 Ca 0.19 0.27 0.12 0.00 1.00 0.00 0.00 62.75 64.34 2gqb n ILE 11 Cb 0.33 -1.96 0.33 0.00 -0.71 0.00 0.00 39.64 37.63 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 -3.97 0.00 0.67 1.39 3.01 0.54 -3.69 117.46 115.42 2gqb n PHE 12 Ca -0.07 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.47 2gqb n PHE 12 Cb 0.26 -0.25 0.05 0.00 -0.01 0.00 0.00 39.48 39.53 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 1.46 0.10 3.79 1.37 0.00 -1.00 -4.98 105.19 105.93 2gqb n GLY 13 Ca 0.07 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.48 5.38 0.00 1.61 2.15 -1.24 -4.95 116.67 118.14 2gqb s ASP 14 Ca 0.17 -0.26 0.00 0.00 0.43 0.00 0.00 52.55 52.89 2gqb s ASP 14 Cb 0.13 -1.34 0.00 0.00 -0.30 0.00 0.00 42.92 41.41 2gqb s ASP 14 CO 0.25 0.01 0.66 -1.20 -0.17 0.00 0.00 175.17 174.72 2gqb n SER 15 N -0.82 0.00 -0.01 -0.34 7.64 -1.26 -4.93 113.62 113.90 2gqb n SER 15 Ca -0.08 -1.39 -0.02 0.00 1.01 0.00 0.00 58.87 58.40 2gqb n SER 15 Cb 0.57 -0.08 -0.01 0.00 -1.01 0.00 0.00 64.21 63.68 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 0.00 1.94 0.40 -0.43 0.00 -1.26 -4.82 120.51 116.34 2gqb n ALA 16 Ca 0.00 -0.12 -0.17 0.00 0.00 0.00 0.00 53.44 53.16 2gqb n ALA 16 Cb 0.58 0.43 -0.08 0.00 0.00 0.00 0.00 19.45 20.38 2gqb n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gqb h ALA 17 N 0.00 -1.04 -3.63 0.00 0.00 -1.97 -3.44 119.26 109.19 2gqb h ALA 17 Ca -0.06 -0.23 -0.41 0.00 0.00 0.00 0.00 54.91 54.21 2gqb h ALA 17 Cb 1.09 0.40 -0.32 0.00 0.00 0.00 0.00 17.79 18.96 2gqb h ALA 17 CO -0.01 -0.99 -0.78 0.00 0.00 0.00 0.00 179.25 177.48 2gqb s ALA 18 N -5.33 0.74 -0.28 0.00 0.00 -1.26 -5.10 121.76 110.53 2gqb s ALA 18 Ca -0.16 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.63 2gqb s ALA 18 Cb 0.02 -0.36 0.16 0.00 0.00 0.00 0.00 23.12 22.94 2gqb s ALA 18 CO 0.50 0.07 0.42 0.45 0.00 0.00 0.00 175.76 177.20 2gqb s SER 19 N 0.53 0.14 0.40 0.00 0.15 -1.26 -4.81 113.70 108.85 2gqb s SER 19 Ca -0.08 -0.16 -0.23 0.00 0.70 0.00 0.00 55.95 56.18 2gqb s SER 19 Cb -0.11 1.22 -0.10 0.00 -1.71 0.00 0.00 66.02 65.32 2gqb s SER 19 CO 0.01 -0.33 0.99 -2.16 1.20 0.00 0.00 173.24 172.94 2gqb s PRO 20 N 2.58 4.24 0.00 5.44 0.04 -1.26 -4.91 135.00 141.13 2gqb s PRO 20 Ca 0.11 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.46 2gqb s PRO 20 Cb -0.13 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 31.99 2gqb s PRO 20 CO -0.27 -0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.15 2gqb n GLY 21 N -0.01 0.08 2.75 0.56 0.00 -1.26 -4.98 105.19 102.33 2gqb n GLY 21 Ca 0.05 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 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 4.34 3.85 -0.02 0.00 -1.26 -4.93 105.19 107.17 2gqb n GLY 22 Ca 0.00 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.07 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 3.28 3.75 -0.10 4.61 0.00 -1.26 -5.09 121.76 126.94 2gqb s ALA 23 Ca 0.47 -0.34 -0.03 0.00 0.00 0.00 0.00 51.96 52.07 2gqb s ALA 23 Cb 0.14 -2.27 -0.03 0.00 0.00 0.00 0.00 23.12 20.95 2gqb s ALA 23 CO -0.08 0.53 0.02 -0.65 0.00 0.00 0.00 175.76 175.58 2gqb s GLN 24 N -1.21 3.13 0.36 0.00 -1.52 -1.26 -5.09 119.66 114.06 2gqb s GLN 24 Ca 0.23 -0.38 -0.28 0.00 -1.95 0.00 0.00 55.36 52.99 2gqb s GLN 24 Cb -0.15 -2.87 -0.10 0.00 -0.22 0.00 0.00 33.01 29.67 2gqb s GLN 24 CO 0.12 0.66 1.37 0.00 -0.25 0.00 0.00 175.29 177.19 2gqb s ALA 25 N -0.77 3.49 -0.80 6.09 0.00 -1.26 -4.87 121.76 123.65 2gqb s ALA 25 Ca 0.12 1.36 -0.25 0.00 0.00 0.00 0.00 51.96 53.19 2gqb s ALA 25 Cb -0.12 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.40 2gqb s ALA 25 CO 0.02 -0.80 2.18 -2.14 0.00 0.00 0.00 175.76 175.02 2gqb s PRO 26 N -1.95 2.11 -0.28 0.00 0.02 -1.26 -4.88 135.00 128.76 2gqb s PRO 26 Ca 0.51 0.25 -0.01 0.00 0.02 0.00 0.00 61.00 61.77 2gqb s PRO 26 Cb -0.42 -4.85 0.09 0.00 0.02 0.00 0.00 34.50 29.34 2gqb s PRO 26 CO 0.56 -3.79 0.07 0.00 -0.33 0.00 0.00 177.00 173.50 2gqb s ALA 27 N 12.23 1.55 0.06 -1.55 0.00 -1.26 -5.12 121.76 127.67 2gqb s ALA 27 Ca 0.82 -1.51 0.03 0.00 0.00 0.00 0.00 51.96 51.30 2gqb s ALA 27 Cb -0.11 -1.54 -0.03 0.00 0.00 0.00 0.00 23.12 21.45 2gqb s ALA 27 CO 0.07 -1.53 -0.10 0.99 0.00 0.00 0.00 175.76 175.18 2gqb s THR 28 N 1.60 0.78 0.41 0.00 2.01 -1.26 -5.04 115.64 114.14 2gqb s THR 28 Ca 0.06 -1.19 0.08 0.00 0.31 0.00 0.00 61.69 60.95 2gqb s THR 28 Cb -0.17 -0.82 0.24 0.00 0.01 0.00 0.00 72.50 71.76 2gqb s THR 28 CO -0.19 -0.32 2.02 0.74 -0.69 0.00 0.00 174.62 176.18 2gqb h THR 29 N 4.39 1.12 0.00 -0.82 2.02 -2.01 -3.48 112.91 114.13 2gqb h THR 29 Ca -0.38 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.47 2gqb h THR 29 Cb 1.20 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 2gqb h THR 29 CO 0.41 0.13 0.00 0.61 0.37 0.00 0.00 175.52 177.04 2gqb n GLY 30 N -1.33 1.02 0.19 2.16 0.00 -1.26 -4.77 105.19 101.21 2gqb n GLY 30 Ca 0.02 -0.53 0.03 0.00 0.00 0.00 0.00 46.02 45.54 2gqb n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gqb h ALA 31 N 0.00 1.37 -1.73 4.61 0.00 -2.07 -3.37 119.26 118.06 2gqb h ALA 31 Ca 0.00 -0.32 -0.61 0.00 0.00 0.00 0.00 54.91 53.98 2gqb h ALA 31 Cb 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 17.61 2gqb h ALA 31 CO 0.00 0.44 0.60 0.00 0.00 0.00 0.00 179.25 180.29 2gqb s ALA 32 N -4.17 3.11 -0.50 0.00 0.00 -1.26 -4.91 121.76 114.03 2gqb s ALA 32 Ca -0.03 -1.42 0.08 0.00 0.00 0.00 0.00 51.96 50.59 2gqb s ALA 32 Cb 0.14 -3.81 0.34 0.00 0.00 0.00 0.00 23.12 19.79 2gqb s ALA 32 CO 0.71 -2.57 0.85 0.41 0.00 0.00 0.00 175.76 175.16 2gqb n GLY 33 N 5.20 4.74 3.63 0.00 0.00 -1.26 -3.93 105.19 113.57 2gqb n GLY 33 Ca 0.00 -2.33 -0.43 0.00 0.00 0.00 0.00 46.02 43.26 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 -3.54 3.55 0.01 2.61 2.01 -1.26 -4.98 115.64 114.03 2gqb s THR 34 Ca 0.45 0.62 0.02 0.00 0.31 0.00 0.00 61.69 63.08 2gqb s THR 34 Cb 0.30 -3.56 -0.01 0.00 0.01 0.00 0.00 72.50 69.24 2gqb s THR 34 CO -0.11 -0.23 -0.06 0.00 -0.69 0.00 0.00 174.62 173.52 2gqb s ALA 35 N 5.48 0.50 0.18 7.40 0.00 -1.26 -5.12 121.76 128.93 2gqb s ALA 35 Ca 0.76 -0.37 -0.32 0.00 0.00 0.00 0.00 51.96 52.03 2gqb s ALA 35 Cb -0.28 -0.08 -0.12 0.00 0.00 0.00 0.00 23.12 22.64 2gqb s ALA 35 CO 0.31 0.08 1.72 -2.30 0.00 0.00 0.00 175.76 175.57 2gqb n PRO 36 N 2.58 2.63 -0.74 0.00 -0.02 -1.26 -4.89 135.00 133.30 2gqb n PRO 36 Ca -0.15 0.95 -0.14 0.00 -2.02 0.00 0.00 63.50 62.14 2gqb n PRO 36 Cb 0.57 -2.79 0.11 0.00 -0.02 0.00 0.00 33.50 31.37 2gqb n PRO 36 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2gqb n THR 37 N 4.01 2.32 -3.72 3.45 -2.24 -1.26 -4.80 114.28 112.04 2gqb n THR 37 Ca 0.17 -1.15 -0.38 0.00 -2.27 0.00 0.00 64.05 60.42 2gqb n THR 37 Cb 0.34 -0.67 -0.11 0.00 -2.10 0.00 0.00 70.33 67.78 2gqb n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gqb s ALA 38 N -2.00 3.18 -0.14 6.98 0.00 -1.26 -5.08 121.76 123.44 2gqb s ALA 38 Ca 0.34 -2.33 -0.20 0.00 0.00 0.00 0.00 51.96 49.77 2gqb s ALA 38 Cb 0.29 -2.46 -0.03 0.00 0.00 0.00 0.00 23.12 20.91 2gqb s ALA 38 CO 0.07 -1.70 0.57 -1.25 0.00 0.00 0.00 175.76 173.45 2gqb s PRO 39 N 1.26 4.30 -0.32 0.00 0.05 -1.26 -5.06 135.00 133.96 2gqb s PRO 39 Ca 0.05 0.58 -0.11 0.00 0.05 0.00 0.00 61.00 61.57 2gqb s PRO 39 Cb -0.23 -3.50 -0.01 0.00 0.05 0.00 0.00 34.50 30.81 2gqb s PRO 39 CO -0.02 -0.03 0.19 -1.14 0.05 0.00 0.00 177.00 176.05 2gqb s GLN 40 N 1.21 3.37 -0.29 4.56 0.74 -1.26 -5.06 119.66 122.93 2gqb s GLN 40 Ca 0.29 -0.71 -0.29 0.00 0.05 0.00 0.00 55.36 54.70 2gqb s GLN 40 Cb -0.16 -3.66 0.01 0.00 1.10 0.00 0.00 33.01 30.31 2gqb s GLN 40 CO 0.12 -0.44 1.05 -2.14 -0.55 0.00 0.00 175.29 173.33 2gqb s PRO 41 N 1.65 4.12 -0.07 1.67 0.02 -1.26 -5.03 135.00 136.10 2gqb s PRO 41 Ca 0.05 1.13 -0.03 0.00 0.02 0.00 0.00 61.00 62.17 2gqb s PRO 41 Cb -0.17 -3.71 0.04 0.00 0.02 0.00 0.00 34.50 30.68 2gqb s PRO 41 CO 0.08 -0.81 0.17 0.99 -0.33 0.00 0.00 177.00 177.10 2gqb s THR 42 N 3.48 -0.05 1.13 0.99 2.01 -1.26 -5.16 115.64 116.78 2gqb s THR 42 Ca 0.44 0.17 -0.15 0.00 0.31 0.00 0.00 61.69 62.46 2gqb s THR 42 Cb -0.13 -0.27 0.25 0.00 0.01 0.00 0.00 72.50 72.36 2gqb s THR 42 CO 0.12 0.07 1.07 0.00 -0.69 0.00 0.00 174.62 175.19 2gqb s ALA 43 N 1.18 0.38 -0.36 7.40 0.00 -1.26 -5.05 121.76 124.05 2gqb s ALA 43 Ca -0.09 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.35 2gqb s ALA 43 Cb -0.11 -3.06 0.15 0.00 0.00 0.00 0.00 23.12 20.10 2gqb s ALA 43 CO -0.06 -3.42 0.30 0.00 0.00 0.00 0.00 175.76 172.57 2gqb s ALA 44 N -2.82 0.20 -1.74 0.00 0.00 -1.26 -5.01 121.76 111.13 2gqb s ALA 44 Ca 0.68 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 51.26 2gqb s ALA 44 Cb -0.17 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.12 2gqb s ALA 44 CO 0.59 -2.11 0.69 -0.35 0.00 0.00 0.00 175.76 174.57 2gqb n PRO 45 N 4.18 0.79 -3.71 0.00 -0.04 -1.26 -4.59 135.00 130.37 2gqb n PRO 45 Ca 0.11 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.45 2gqb n PRO 45 Cb 0.41 -1.10 -0.10 0.00 -0.04 0.00 0.00 33.50 32.67 2gqb n PRO 45 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2gqb s SER 46 N -0.95 -0.50 -0.42 3.54 0.15 -1.26 -5.02 113.70 109.24 2gqb s SER 46 Ca 0.00 0.91 -0.13 0.00 0.70 0.00 0.00 55.95 57.43 2gqb s SER 46 Cb 0.00 0.86 0.04 0.00 -1.71 0.00 0.00 66.02 65.21 2gqb s SER 46 CO 0.00 -0.17 0.29 -0.63 1.20 0.00 0.00 173.24 173.93 2gqb s ILE 47 N 0.80 4.92 -0.53 6.45 -1.09 0.36 -4.94 121.20 127.16 2gqb s ILE 47 Ca -0.05 -0.91 -0.28 0.00 -2.23 0.00 0.00 60.65 57.18 2gqb s ILE 47 Cb -0.05 -3.82 0.02 0.00 -1.58 0.00 0.00 42.46 37.03 2gqb s ILE 47 CO -0.06 -0.38 1.26 -0.62 -1.23 0.00 0.00 174.94 173.91 2gqb s ASP 48 N 1.91 6.40 0.26 3.58 -1.08 -1.26 0.89 116.67 127.38 2gqb s ASP 48 Ca 0.04 0.33 0.23 0.00 -0.52 0.00 0.00 52.55 52.62 2gqb s ASP 48 Cb -0.21 -2.55 0.10 0.00 -1.46 0.00 0.00 42.92 38.80 2gqb s ASP 48 CO 0.07 -1.48 1.20 0.58 0.52 0.00 0.00 175.17 176.06 2gqb h VAL 49 N 6.27 0.00 0.29 1.11 2.07 -1.62 -3.38 116.25 120.99 2gqb h VAL 49 Ca -0.25 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.29 2gqb h VAL 49 Cb 1.07 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 2gqb h VAL 49 CO 1.16 0.00 -0.33 0.00 0.02 0.00 0.00 177.57 178.42 2gqb h ALA 50 N 2.02 -0.68 -0.37 1.67 0.00 -1.88 -1.68 119.26 118.34 2gqb h ALA 50 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2gqb h ALA 50 Cb 0.99 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 2gqb h ALA 50 CO 0.00 -0.92 0.14 -1.00 0.00 0.00 0.00 179.25 177.47 2gqb h PRO 51 N -0.66 0.51 -0.43 0.00 0.13 -1.94 0.11 132.00 129.73 2gqb h PRO 51 Ca -0.01 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 2gqb h PRO 51 Cb 0.62 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.63 2gqb h PRO 51 CO -0.08 0.43 0.14 0.82 -0.23 0.00 0.00 178.00 179.08 2gqb h ILE 52 N 0.51 1.22 0.16 -3.56 2.04 -1.63 -1.86 117.51 114.40 2gqb h ILE 52 Ca 0.13 -0.71 -0.34 0.00 1.00 0.00 0.00 64.86 64.94 2gqb h ILE 52 Cb 0.11 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2gqb h ILE 52 CO -0.01 0.25 -1.67 -0.07 0.00 0.00 0.00 178.15 176.65 2gqb h LEU 53 N 0.55 0.54 -0.77 1.44 3.38 -1.06 -2.74 115.31 116.65 2gqb h LEU 53 Ca 0.14 -0.78 -0.03 0.00 0.09 0.00 0.00 57.88 57.30 2gqb h LEU 53 Cb 0.25 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 2gqb h LEU 53 CO -0.01 1.66 0.38 -0.78 0.09 0.00 0.00 178.44 179.78 2gqb h ASP 54 N 0.09 1.00 0.78 -0.43 3.58 -0.80 -0.11 116.42 120.54 2gqb h ASP 54 Ca -0.31 -0.13 -0.14 0.00 0.42 0.00 0.00 57.03 56.87 2gqb h ASP 54 Cb 2.07 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 42.85 2gqb h ASP 54 CO 0.17 0.85 -0.68 0.11 -2.88 0.00 0.00 179.24 176.81 2gqb h LYS 55 N 1.08 0.00 0.00 0.28 6.56 -1.46 -2.96 116.57 120.07 2gqb h LYS 55 Ca 0.27 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.82 2gqb h LYS 55 Cb 0.10 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.76 2gqb h LYS 55 CO -0.04 0.68 -0.17 0.00 -2.06 0.00 0.00 179.45 177.86 2gqb h ALA 56 N 1.32 1.09 0.21 3.86 0.00 -0.98 -1.98 119.26 122.78 2gqb h ALA 56 Ca -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2gqb h ALA 56 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2gqb h ALA 56 CO 0.09 0.22 -0.10 0.28 0.00 0.00 0.00 179.25 179.73 2gqb h VAL 57 N 0.00 0.80 0.00 0.00 2.07 -0.88 0.16 116.25 118.40 2gqb h VAL 57 Ca -0.00 -0.01 -0.08 0.00 0.82 0.00 0.00 66.70 67.43 2gqb h VAL 57 Cb 0.59 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2gqb h VAL 57 CO 0.02 0.00 -0.39 0.07 0.02 0.00 0.00 177.57 177.29 2gqb h LYS 58 N -0.28 0.00 -0.07 1.57 2.10 -1.65 -2.47 116.57 115.76 2gqb h LYS 58 Ca -0.03 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.46 2gqb h LYS 58 Cb 0.22 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.54 2gqb h LYS 58 CO 0.05 0.39 -0.67 0.00 -2.00 0.00 0.00 179.45 177.22 2gqb h ALA 59 N 1.61 0.72 -0.14 0.07 0.00 -1.08 -3.08 119.26 117.34 2gqb h ALA 59 Ca -0.00 -0.58 -0.18 0.00 0.00 0.00 0.00 54.91 54.14 2gqb h ALA 59 Cb 1.22 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.94 2gqb h ALA 59 CO 0.05 0.76 -0.61 -0.22 0.00 0.00 0.00 179.25 179.22 2gqb h LYS 60 N 0.22 0.67 0.00 0.00 1.63 -0.62 -3.48 116.57 114.99 2gqb h LYS 60 Ca -0.02 -0.53 0.00 0.00 -0.85 0.00 0.00 60.65 59.26 2gqb h LYS 60 Cb 1.21 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.95 2gqb h LYS 60 CO 0.11 1.15 0.00 0.41 -3.45 0.00 0.00 179.45 177.67 2gqb n GLY 61 N 0.66 1.21 4.00 5.01 0.00 -0.94 -5.11 105.19 110.03 2gqb n GLY 61 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 2gqb n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gqb s GLU 62 N 0.00 1.81 -1.18 1.61 2.02 -1.23 -4.94 118.70 116.79 2gqb s GLU 62 Ca 0.00 -1.28 -0.11 0.00 0.02 0.00 0.00 54.97 53.60 2gqb s GLU 62 Cb 0.00 -2.41 0.22 0.00 0.10 0.00 0.00 34.13 32.03 2gqb s GLU 62 CO 0.00 -1.32 1.39 1.17 0.02 0.00 0.00 175.26 176.52 2gqb n LYS 63 N -2.69 3.53 -2.48 1.61 0.00 -1.26 -4.44 118.16 112.43 2gqb n LYS 63 Ca 0.15 -4.06 -0.40 0.00 0.00 0.00 0.00 58.31 54.00 2gqb n LYS 63 Cb 0.61 -2.84 -0.04 0.00 0.00 0.00 0.00 35.03 32.76 2gqb n LYS 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2gqb s LEU 64 N 0.18 4.53 -0.58 3.14 1.43 -1.26 -5.02 118.68 121.10 2gqb s LEU 64 Ca 0.38 2.26 0.04 0.00 -1.03 0.00 0.00 54.13 55.78 2gqb s LEU 64 Cb -0.03 -3.66 0.14 0.00 0.03 0.00 0.00 46.19 42.67 2gqb s LEU 64 CO -0.02 -0.17 0.33 -0.70 0.23 0.00 0.00 176.35 176.03 2gqb s GLU 65 N -1.51 2.14 0.04 1.70 2.56 -1.26 -4.92 118.70 117.44 2gqb s GLU 65 Ca 0.45 -2.85 0.28 0.00 0.00 0.00 0.00 54.97 52.86 2gqb s GLU 65 Cb -0.31 -3.36 1.09 0.00 2.00 0.00 0.00 34.13 33.55 2gqb s GLU 65 CO 0.40 -1.16 1.85 -2.67 -0.56 0.00 0.00 175.26 173.12 2gqb n TRP 66 N 2.77 0.18 0.19 5.30 4.27 -1.26 -1.41 117.44 127.48 2gqb n TRP 66 Ca 0.09 0.05 0.04 0.00 -3.89 0.00 0.00 57.50 53.80 2gqb n TRP 66 Cb 0.33 -0.57 0.37 0.00 -1.36 0.00 0.00 31.31 30.08 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 -1.98 -3.37 114.38 109.44 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 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2gqb h ARG 67 CO 0.00 0.38 -0.36 -2.37 -1.07 0.00 0.00 179.97 176.55 2gqb n THR 68 N -3.81 0.00 -3.81 2.04 5.66 -1.23 -4.67 114.28 108.46 2gqb n THR 68 Ca -0.01 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.63 2gqb n THR 68 Cb 0.45 -0.13 -0.10 0.00 -1.55 0.00 0.00 70.33 69.01 2gqb n THR 68 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2gqb s SER 69 N -1.28 5.87 0.09 1.09 0.01 -0.50 -4.65 113.70 114.33 2gqb s SER 69 Ca 0.00 0.10 0.04 0.00 1.31 0.00 0.00 55.95 57.40 2gqb s SER 69 Cb 0.00 -2.03 -0.23 0.00 0.21 0.00 0.00 66.02 63.96 2gqb s SER 69 CO 0.00 0.12 1.18 -0.29 0.41 0.00 0.00 173.24 174.66 2gqb h ILE 70 N 4.93 1.57 -0.51 1.44 6.09 -1.84 -3.28 117.51 125.93 2gqb h ILE 70 Ca -0.38 -3.26 -0.07 0.00 -1.37 0.00 0.00 64.86 59.78 2gqb h ILE 70 Cb 1.17 2.84 -0.02 0.00 0.47 0.00 0.00 36.82 41.27 2gqb h ILE 70 CO 0.69 0.92 0.03 0.58 -3.07 0.00 0.00 178.15 177.30 2gqb h VAL 71 N 0.02 1.24 0.13 2.19 2.07 -1.93 -2.36 116.25 117.62 2gqb h VAL 71 Ca -0.07 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 2gqb h VAL 71 Cb 1.85 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2gqb h VAL 71 CO 0.15 0.35 -0.06 0.44 0.02 0.00 0.00 177.57 178.46 2gqb h ASP 72 N 0.78 -0.15 0.57 0.57 5.19 -1.85 -2.70 116.42 118.83 2gqb h ASP 72 Ca 0.16 -0.13 -0.09 0.00 -0.62 0.00 0.00 57.03 56.35 2gqb h ASP 72 Cb 0.42 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 2gqb h ASP 72 CO 0.01 0.03 -0.42 0.17 -3.12 0.00 0.00 179.24 175.92 2gqb h LEU 73 N -0.33 0.00 0.23 1.55 8.10 -1.62 -1.06 115.31 122.18 2gqb h LEU 73 Ca -0.02 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.97 2gqb h LEU 73 Cb 0.27 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.48 2gqb h LEU 73 CO 0.03 0.42 -0.15 -0.03 -4.11 0.00 0.00 178.44 174.60 2gqb h MET 74 N 0.00 -0.36 -0.01 0.17 4.05 -1.23 -2.80 114.93 114.75 2gqb h MET 74 Ca -0.00 0.02 -0.16 0.00 -0.28 0.00 0.00 59.70 59.28 2gqb h MET 74 Cb 0.82 0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.68 2gqb h MET 74 CO 0.05 -0.24 -0.72 1.57 0.23 0.00 0.00 176.91 177.80 2gqb h LYS 75 N -0.38 0.07 -0.68 0.39 2.10 -1.41 -3.15 116.57 113.51 2gqb h LYS 75 Ca -0.02 -0.06 0.15 0.00 -2.00 0.00 0.00 60.65 58.72 2gqb h LYS 75 Cb 0.32 0.01 -0.12 0.00 -0.90 0.00 0.00 32.23 31.55 2gqb h LYS 75 CO 0.01 0.76 -0.04 0.00 -2.00 0.00 0.00 179.45 178.18 2gqb h ALA 76 N 1.22 0.63 -1.99 0.07 0.00 -0.92 -2.94 119.26 115.34 2gqb h ALA 76 Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2gqb h ALA 76 Cb 1.28 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2gqb h ALA 76 CO 0.10 -0.41 0.00 1.28 0.00 0.00 0.00 179.25 180.22 2gqb n LEU 77 N -5.35 0.74 -2.66 0.00 7.99 -1.16 -4.76 117.00 111.79 2gqb n LEU 77 Ca 0.10 0.48 -0.04 0.00 -0.01 0.00 0.00 56.01 56.55 2gqb n LEU 77 Cb 0.40 -0.17 0.07 0.00 -0.11 0.00 0.00 43.42 43.60 2gqb n LEU 77 CO 0.07 -0.17 0.60 -0.67 -1.51 0.00 0.00 177.39 175.71 2gqb n ASP 78 N -1.01 -1.19 -4.00 -1.43 2.03 -1.11 -5.08 116.55 104.77 2gqb n ASP 78 Ca 0.00 -1.40 -0.12 0.00 0.52 0.00 0.00 54.79 53.78 2gqb n ASP 78 Cb 0.00 0.62 -0.12 0.00 -0.72 0.00 0.00 41.12 40.90 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 0.32 0.32 0.48 5.18 -1.09 -1.19 -4.98 121.20 120.24 2gqb s ILE 79 Ca 0.25 -0.75 0.21 0.00 -2.23 0.00 0.00 60.65 58.13 2gqb s ILE 79 Cb 0.19 -0.38 0.38 0.00 -1.58 0.00 0.00 42.46 41.06 2gqb s ILE 79 CO -0.08 -0.29 1.97 0.44 -1.23 0.00 0.00 174.94 175.75 2gqb h ASP 80 N 5.01 0.18 -0.60 3.58 5.19 -1.92 -3.37 116.42 124.48 2gqb h ASP 80 Ca -0.32 0.01 -0.21 0.00 -0.62 0.00 0.00 57.03 55.89 2gqb h ASP 80 Cb 1.20 -0.03 -0.08 0.00 0.18 0.00 0.00 39.33 40.60 2gqb h ASP 80 CO 0.44 0.09 -0.19 -1.54 -3.12 0.00 0.00 179.24 174.92 2gqb n SER 81 N -4.42 -5.23 -1.41 6.45 3.41 -1.26 -4.95 113.62 106.21 2gqb n SER 81 Ca 0.11 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 2gqb n SER 81 Cb 0.55 -3.92 0.00 0.00 -0.26 0.00 0.00 64.21 60.58 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 -0.93 0.00 0.25 4.04 2.88 -1.26 -4.74 113.62 113.85 2gqb n SER 82 Ca -0.10 -0.15 -0.16 0.00 -1.33 0.00 0.00 58.87 57.12 2gqb n SER 82 Cb 0.55 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.93 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 -0.97 -2.04 2.46 7.12 -2.00 -2.34 115.31 117.54 2gqb h LEU 83 Ca 0.00 0.08 -0.02 0.00 0.13 0.00 0.00 57.88 58.07 2gqb h LEU 83 Cb 0.00 0.32 -0.00 0.00 -0.53 0.00 0.00 40.66 40.45 2gqb h LEU 83 CO 0.00 -0.52 -0.08 0.28 -0.13 0.00 0.00 178.44 177.99 2gqb h SER 84 N -0.78 0.00 0.38 1.25 0.02 -1.98 -1.24 113.55 111.20 2gqb h SER 84 Ca -0.04 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 2gqb h SER 84 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 2gqb h SER 84 CO -0.03 0.08 -0.18 0.00 -1.14 0.00 0.00 176.83 175.56 2gqb h ALA 85 N 1.92 -0.68 -0.13 3.77 0.00 -1.78 -1.20 119.26 121.16 2gqb h ALA 85 Ca -0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2gqb h ALA 85 Cb 0.19 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2gqb h ALA 85 CO 0.01 -0.64 -0.11 0.07 0.00 0.00 0.00 179.25 178.58 2gqb h ARG 86 N -0.83 0.20 -0.27 0.00 0.11 -1.37 -1.61 114.38 110.61 2gqb h ARG 86 Ca -0.05 -0.04 -0.19 0.00 0.10 0.00 0.00 59.98 59.80 2gqb h ARG 86 Cb 0.39 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.44 2gqb h ARG 86 CO 0.09 0.32 -0.57 -0.22 0.10 0.00 0.00 179.97 179.68 2gqb h LYS 87 N 0.19 0.86 -0.12 0.08 3.64 -1.29 -2.41 116.57 117.52 2gqb h LYS 87 Ca 0.04 -0.57 -0.19 0.00 -1.27 0.00 0.00 60.65 58.66 2gqb h LYS 87 Cb 0.32 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2gqb h LYS 87 CO 0.02 1.20 -0.67 1.05 -2.27 0.00 0.00 179.45 178.77 2gqb h GLU 88 N 0.64 0.66 -0.80 1.90 -0.00 -0.83 -1.13 114.58 115.01 2gqb h GLU 88 Ca 0.00 -0.56 -0.00 0.00 -0.00 0.00 0.00 59.36 58.81 2gqb h GLU 88 Cb 1.18 0.12 -0.04 0.00 -0.00 0.00 0.00 28.75 30.02 2gqb h GLU 88 CO 0.13 1.17 0.50 1.25 -0.00 0.00 0.00 179.01 182.06 2gqb h LEU 89 N 0.33 0.95 -0.23 3.06 5.85 -1.36 -1.98 115.31 121.93 2gqb h LEU 89 Ca -0.05 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 2gqb h LEU 89 Cb 1.32 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 2gqb h LEU 89 CO 0.14 0.72 -0.13 0.00 -0.34 0.00 0.00 178.44 178.84 2gqb h ALA 90 N 1.27 0.33 0.00 1.25 0.00 -1.38 -3.12 119.26 117.61 2gqb h ALA 90 Ca 0.29 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2gqb h ALA 90 Cb -0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2gqb h ALA 90 CO -0.06 0.19 -0.03 1.57 0.00 0.00 0.00 179.25 180.93 2gqb h LYS 91 N 0.21 0.00 -0.13 0.00 2.10 -0.88 0.53 116.57 118.40 2gqb h LYS 91 Ca 0.05 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.50 2gqb h LYS 91 Cb 0.63 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 2gqb h LYS 91 CO 0.04 0.03 -0.74 0.93 -2.00 0.00 0.00 179.45 177.71 2gqb h GLU 92 N 0.00 0.62 0.06 0.07 4.39 -1.31 -3.35 114.58 115.06 2gqb h GLU 92 Ca -0.00 -0.50 -0.32 0.00 0.34 0.00 0.00 59.36 58.88 2gqb h GLU 92 Cb 0.43 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 2gqb h GLU 92 CO 0.00 1.12 -1.81 -0.07 -1.16 0.00 0.00 179.01 177.09 2gqb h LEU 93 N 0.43 0.20 0.00 1.33 3.38 -1.20 -3.48 115.31 115.96 2gqb h LEU 93 Ca -0.04 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2gqb h LEU 93 Cb 1.34 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2gqb h LEU 93 CO 0.14 1.40 0.00 0.61 0.09 0.00 0.00 178.44 180.68 2gqb n GLY 94 N 1.75 1.22 1.78 0.83 0.00 0.14 -5.10 105.19 105.81 2gqb n GLY 94 Ca -0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 46.02 45.68 2gqb n GLY 94 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2gqb n TYR 95 N 0.00 -2.10 -3.51 1.61 4.19 0.12 -4.78 117.16 112.69 2gqb n TYR 95 Ca 0.00 1.24 -0.25 0.00 3.31 0.00 0.00 57.90 62.20 2gqb n TYR 95 Cb 0.00 -2.72 -0.14 0.00 0.49 0.00 0.00 39.34 36.98 2gqb n TYR 95 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 2gqb s SER 96 N -0.28 2.79 -0.49 2.98 0.15 -1.26 -4.98 113.70 112.61 2gqb s SER 96 Ca -0.06 -1.00 0.06 0.00 0.70 0.00 0.00 55.95 55.65 2gqb s SER 96 Cb 0.00 -0.08 0.20 0.00 -1.71 0.00 0.00 66.02 64.44 2gqb s SER 96 CO 0.17 -0.41 0.70 0.61 1.20 0.00 0.00 173.24 175.51 2gqb n GLY 97 N 5.27 0.16 0.50 9.45 0.00 -1.26 -4.59 105.19 114.72 2gqb n GLY 97 Ca -0.05 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2gqb n GLY 97 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2gqb n ASP 98 N 2.54 0.00 0.17 1.61 -0.08 -1.26 -4.80 116.55 114.72 2gqb n ASP 98 Ca 0.18 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.50 2gqb n ASP 98 Cb 0.56 0.01 0.24 0.00 2.34 0.00 0.00 41.12 44.27 2gqb n ASP 98 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2gqb h MET 99 N 0.00 0.00 -0.00 -0.67 -0.00 -2.05 -3.05 114.93 109.16 2gqb h MET 99 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2gqb h MET 99 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2gqb h MET 99 CO 0.00 0.44 -0.35 0.27 -0.00 0.00 0.00 176.91 177.27 2gqb n ASN 100 N -3.45 0.44 0.00 -0.10 6.94 -1.26 -5.02 115.26 112.80 2gqb n ASN 100 Ca 0.00 -0.17 0.00 0.00 -0.02 0.00 0.00 54.58 54.39 2gqb n ASN 100 Cb 0.58 0.06 0.00 0.00 -2.36 0.00 0.00 39.78 38.07 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 -1.39 -0.38 0.07 0.53 -0.08 -1.15 -2.48 116.55 111.66 2gqb n ASP 101 Ca 0.07 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.29 2gqb n ASP 101 Cb 0.33 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.69 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 4.46 0.00 0.94 1.67 0.02 -1.95 -3.19 113.55 115.50 2gqb h SER 102 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2gqb h SER 102 Cb 0.00 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.55 2gqb h SER 102 CO 0.00 0.93 -0.47 0.00 -1.14 0.00 0.00 176.83 176.15 2gqb h ALA 103 N 1.07 -1.34 0.00 3.77 0.00 -2.00 0.32 119.26 121.09 2gqb h ALA 103 Ca -0.02 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 2gqb h ALA 103 Cb 1.72 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 20.03 2gqb h ALA 103 CO 0.12 -1.25 -0.35 0.77 0.00 0.00 0.00 179.25 178.53 2gqb h SER 104 N -1.29 0.00 -0.27 0.00 0.02 -1.66 -3.02 113.55 107.33 2gqb h SER 104 Ca -0.13 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.69 2gqb h SER 104 Cb 1.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 2gqb h SER 104 CO 0.20 0.35 -0.31 -0.03 -1.14 0.00 0.00 176.83 175.90 2gqb h MET 105 N 0.00 0.78 -0.45 3.45 -1.53 -1.49 0.94 114.93 116.64 2gqb h MET 105 Ca -0.00 -0.36 -0.10 0.00 -3.44 0.00 0.00 59.70 55.80 2gqb h MET 105 Cb 0.97 -0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 32.00 2gqb h MET 105 CO 0.05 0.99 -0.10 -0.97 0.14 0.00 0.00 176.91 177.01 2gqb h ASN 106 N 0.66 0.87 0.07 1.39 -1.24 -0.84 -2.30 115.58 114.19 2gqb h ASN 106 Ca 0.07 -0.36 -0.00 0.00 0.71 0.00 0.00 56.30 56.72 2gqb h ASN 106 Cb 0.84 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.66 2gqb h ASN 106 CO 0.07 1.02 -0.04 0.40 -1.29 0.00 0.00 177.43 177.60 2gqb h ILE 107 N 0.70 1.18 -0.21 2.57 2.04 -1.39 -2.22 117.51 120.18 2gqb h ILE 107 Ca 0.11 -0.99 0.03 0.00 1.00 0.00 0.00 64.86 65.01 2gqb h ILE 107 Cb 0.64 1.81 -0.03 0.00 -0.74 0.00 0.00 36.82 38.51 2gqb h ILE 107 CO 0.04 0.24 0.02 -0.25 0.00 0.00 0.00 178.15 178.21 2gqb h TRP 108 N -0.56 0.03 -0.33 1.37 7.01 -0.87 -2.11 115.95 120.50 2gqb h TRP 108 Ca -0.01 0.01 -0.06 0.00 2.11 0.00 0.00 58.89 60.94 2gqb h TRP 108 Cb 0.47 0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.53 2gqb h TRP 108 CO 0.07 -0.00 -0.07 1.25 -2.79 0.00 0.00 178.44 176.90 2gqb h LEU 109 N 0.10 0.51 -0.81 0.65 5.85 -1.49 -2.05 115.31 118.08 2gqb h LEU 109 Ca 0.10 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 2gqb h LEU 109 Cb 0.11 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 2gqb h LEU 109 CO -0.14 0.63 0.17 -0.74 -0.34 0.00 0.00 178.44 178.02 2gqb h HIS 110 N 0.50 1.11 0.24 1.25 2.76 -0.86 -1.18 115.15 118.98 2gqb h HIS 110 Ca 0.10 -0.12 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 2gqb h HIS 110 Cb 0.43 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.08 2gqb h HIS 110 CO 0.02 0.90 -0.11 0.87 -1.30 0.00 0.00 177.93 178.30 2gqb h LYS 111 N 1.01 -0.30 -0.15 5.26 1.79 -0.93 -3.00 116.57 120.25 2gqb h LYS 111 Ca 0.21 0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.70 2gqb h LYS 111 Cb 0.35 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.06 2gqb h LYS 111 CO -0.00 0.03 0.08 0.37 -1.08 0.00 0.00 179.45 178.86 2gqb h GLN 112 N -0.69 0.20 -0.79 3.15 5.75 -1.29 -2.55 115.11 118.88 2gqb h GLN 112 Ca -0.03 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.48 2gqb h GLN 112 Cb 0.48 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.94 2gqb h GLN 112 CO 0.05 0.20 0.50 0.28 -2.65 0.00 0.00 178.83 177.22 2gqb h VAL 113 N 0.15 1.12 0.00 2.39 2.07 -1.33 -2.06 116.25 118.59 2gqb h VAL 113 Ca 0.05 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2gqb h VAL 113 Cb 0.06 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 2gqb h VAL 113 CO -0.01 0.18 0.00 0.24 0.02 0.00 0.00 177.57 178.00 2gqb h MET 114 N 0.98 0.00 0.00 1.57 2.86 -1.33 -0.82 114.93 118.18 2gqb h MET 114 Ca 0.32 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.95 2gqb h MET 114 Cb 0.01 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 2gqb h MET 114 CO -0.11 0.00 -0.02 1.03 1.06 0.00 0.00 176.91 178.87 2gqb h SER 115 N 0.00 0.00 -0.01 1.22 0.87 -0.97 -1.36 113.55 113.29 2gqb h SER 115 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2gqb h SER 115 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2gqb h SER 115 CO 0.00 0.02 -0.23 0.29 -0.53 0.00 0.00 176.83 176.38 2gqb n LYS 116 N -3.13 1.59 0.00 2.24 4.01 -0.41 -4.41 118.16 118.04 2gqb n LYS 116 Ca 0.00 -0.99 0.00 0.00 -0.51 0.00 0.00 58.31 56.81 2gqb n LYS 116 Cb 0.30 -1.28 0.00 0.00 -0.51 0.00 0.00 35.03 33.54 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 0.18 0.10 0.03 -0.35 0.00 -0.62 -4.66 117.00 111.68 2gqb n LEU 117 Ca 0.07 0.01 0.11 0.00 0.00 0.00 0.00 56.01 56.21 2gqb n LEU 117 Cb 0.35 -0.16 0.48 0.00 0.00 0.00 0.00 43.42 44.09 2gqb n LEU 117 CO 0.17 -0.16 0.87 1.33 0.00 0.00 0.00 177.39 179.59 2gqb n VAL 118 N -1.78 0.47 0.86 1.96 0.24 -0.61 -2.72 118.33 116.75 2gqb n VAL 118 Ca 0.00 0.06 0.08 0.00 -2.04 0.00 0.00 64.34 62.44 2gqb n VAL 118 Cb 0.00 -0.73 0.43 0.00 -1.47 0.00 0.00 33.84 32.07 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 -1.56 1.97 0.70 2.33 0.00 -1.24 -0.27 120.51 122.45 2gqb n ALA 119 Ca 0.05 -0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.44 2gqb n ALA 119 Cb 0.29 -1.25 0.14 0.00 0.00 0.00 0.00 19.45 18.63 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 2.15 0.00 0.00 3.02 -1.10 -4.80 115.26 113.39 2gqb n ASN 120 Ca 0.10 -2.17 0.00 0.00 -0.03 0.00 0.00 54.58 52.48 2gqb n ASN 120 Cb 0.09 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 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 0.64 1.14 3.75 7.41 0.00 -0.85 -4.91 105.19 112.36 2gqb n GLY 121 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 2.99 -0.15 -0.02 0.00 0.63 -0.49 107.32 108.29 2gqb s GLY 122 Ca 0.00 0.50 -0.11 0.00 0.00 0.00 0.00 44.72 45.11 2gqb s GLY 122 CO 0.00 1.22 0.22 1.25 0.00 0.00 0.00 173.10 175.79 2gqb s LYS 123 N -0.55 4.01 0.07 2.90 2.20 0.26 -4.79 119.74 123.84 2gqb s LYS 123 Ca 0.42 -0.02 0.03 0.00 -0.36 0.00 0.00 55.97 56.04 2gqb s LYS 123 Cb -0.24 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.70 2gqb s LYS 123 CO 0.29 0.43 -0.08 -0.48 -0.36 0.00 0.00 175.35 175.15 2gqb s LEU 124 N -0.08 2.37 0.56 5.43 -0.00 -1.26 -1.49 118.68 124.20 2gqb s LEU 124 Ca 0.14 -0.76 -0.21 0.00 -0.00 0.00 0.00 54.13 53.31 2gqb s LEU 124 Cb -0.13 -0.19 -0.04 0.00 -0.00 0.00 0.00 46.19 45.83 2gqb s LEU 124 CO 0.03 -0.29 1.28 -2.16 -0.00 0.00 0.00 176.35 175.21 2gqb s PRO 125 N -2.58 3.13 0.00 1.48 0.04 -1.26 -4.86 135.00 130.95 2gqb s PRO 125 Ca 0.01 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2gqb s PRO 125 Cb -0.04 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2gqb s PRO 125 CO -0.01 -1.14 0.24 -2.30 0.04 0.00 0.00 177.00 173.83 2gqb n PRO 126 N -1.20 0.33 0.16 0.56 -0.02 -1.26 -2.27 135.00 131.31 2gqb n PRO 126 Ca 0.11 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.69 2gqb n PRO 126 Cb 0.47 -1.09 0.08 0.00 -0.02 0.00 0.00 33.50 32.94 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 0.36 0.00 -4.04 -0.52 4.39 -1.98 -3.39 114.58 109.41 2gqb h GLU 127 Ca 0.00 0.00 -0.77 0.00 0.34 0.00 0.00 59.36 58.93 2gqb h GLU 127 Cb 0.09 0.00 -0.24 0.00 -0.10 0.00 0.00 28.75 28.50 2gqb h GLU 127 CO 0.00 0.08 0.62 0.42 -1.16 0.00 0.00 179.01 178.97 2gqb s ILE 128 N -3.21 5.58 -0.35 3.13 1.09 -0.96 -4.83 121.20 121.65 2gqb s ILE 128 Ca 0.04 -2.86 0.02 0.00 -1.10 0.00 0.00 60.65 56.74 2gqb s ILE 128 Cb 0.07 -4.66 0.19 0.00 -1.06 0.00 0.00 42.46 36.99 2gqb s ILE 128 CO 0.73 -1.28 0.74 -0.75 -0.10 0.00 0.00 174.94 174.27 2gqb s LYS 129 N 0.07 0.55 0.00 2.79 2.47 -1.26 -5.03 119.74 119.33 2gqb s LYS 129 Ca 0.31 0.06 0.00 0.00 -1.56 0.00 0.00 55.97 54.78 2gqb s LYS 129 Cb -0.08 0.13 0.00 0.00 -1.46 0.00 0.00 37.83 36.42 2gqb s LYS 129 CO -0.07 -0.88 0.07 0.72 0.16 0.00 0.00 175.35 175.36