#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 4.44 0.31 6.12 0.01 -1.26 -4.76 113.70 118.56 2gqb s SER 2 Ca 0.00 -2.76 0.00 0.00 1.31 0.00 0.00 55.95 54.50 2gqb s SER 2 Cb 0.00 -1.63 0.52 0.00 0.21 0.00 0.00 66.02 65.13 2gqb s SER 2 CO 0.00 -0.27 1.96 0.40 0.41 0.00 0.00 173.24 175.73 2gqb h ILE 3 N 5.81 1.14 0.00 1.44 2.04 -1.92 0.06 117.51 126.09 2gqb h ILE 3 Ca -0.07 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 2gqb h ILE 3 Cb 0.93 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 2gqb h ILE 3 CO 0.64 0.19 -0.11 2.19 0.00 0.00 0.00 178.15 181.05 2gqb h PHE 4 N 1.02 0.00 0.00 1.37 -5.15 -1.94 0.26 116.94 112.51 2gqb h PHE 4 Ca 0.32 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.09 2gqb h PHE 4 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.18 2gqb h PHE 4 CO -0.00 0.11 -0.52 0.41 -2.00 0.00 0.00 178.31 176.31 2gqb n GLY 5 N -0.93 -1.32 0.12 6.09 0.00 -0.05 -3.50 105.19 105.60 2gqb n GLY 5 Ca -0.02 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 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 0.14 -0.09 1.61 1.57 -0.39 -3.36 116.57 116.05 2gqb h LYS 6 Ca 0.00 -0.24 -0.08 0.00 -1.87 0.00 0.00 60.65 58.46 2gqb h LYS 6 Cb 0.59 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 2gqb h LYS 6 CO 0.00 1.12 -0.30 -0.84 -0.57 0.00 0.00 179.45 178.86 2gqb h ILE 7 N -0.53 1.25 0.00 1.86 3.07 -1.19 -2.38 117.51 119.59 2gqb h ILE 7 Ca -0.33 -1.18 0.00 0.00 1.55 0.00 0.00 64.86 64.91 2gqb h ILE 7 Cb 1.60 1.51 0.00 0.00 -0.27 0.00 0.00 36.82 39.66 2gqb h ILE 7 CO -0.04 0.35 0.00 0.00 -1.05 0.00 0.00 178.15 177.41 2gqb h MET 8 N 0.16 0.00 -0.01 0.16 -0.00 -1.73 -2.92 114.93 110.58 2gqb h MET 8 Ca 0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.66 2gqb h MET 8 Cb 0.61 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.20 2gqb h MET 8 CO 0.04 0.00 -0.31 1.03 -0.00 0.00 0.00 176.91 177.67 2gqb h SER 9 N 0.00 0.01 0.09 -0.10 0.87 -1.57 0.13 113.55 112.99 2gqb h SER 9 Ca 0.00 -0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.28 2gqb h SER 9 Cb 0.49 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2gqb h SER 9 CO 0.00 0.32 -1.45 0.00 -0.53 0.00 0.00 176.83 175.17 2gqb h ALA 10 N 1.68 0.23 -0.02 6.23 0.00 -1.68 -2.91 119.26 122.80 2gqb h ALA 10 Ca -0.00 -1.15 -0.00 0.00 0.00 0.00 0.00 54.91 53.76 2gqb h ALA 10 Cb 0.56 0.55 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2gqb h ALA 10 CO 0.04 0.87 0.01 0.82 0.00 0.00 0.00 179.25 180.99 2gqb h ILE 11 N -0.38 1.04 -0.51 0.00 2.04 -1.46 -2.40 117.51 115.84 2gqb h ILE 11 Ca -0.33 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.41 2gqb h ILE 11 Cb 1.70 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.88 2gqb h ILE 11 CO 0.01 0.04 0.00 0.49 0.00 0.00 0.00 178.15 178.69 2gqb n PHE 12 N -5.05 1.14 0.07 1.37 3.01 0.42 -3.99 117.46 114.44 2gqb n PHE 12 Ca -0.07 -0.46 0.06 0.00 1.01 0.00 0.00 57.45 58.00 2gqb n PHE 12 Cb 0.05 -0.19 0.13 0.00 -0.01 0.00 0.00 39.48 39.46 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 0.97 1.65 3.16 1.37 0.00 -0.91 -4.98 105.19 106.46 2gqb n GLY 13 Ca 0.20 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.03 -0.10 0.00 1.61 -1.08 -1.21 -4.97 116.67 109.89 2gqb s ASP 14 Ca 0.22 -0.00 0.05 0.00 -0.52 0.00 0.00 52.55 52.30 2gqb s ASP 14 Cb 0.13 0.29 0.08 0.00 -1.46 0.00 0.00 42.92 41.95 2gqb s ASP 14 CO 0.17 -0.37 0.86 -1.20 0.52 0.00 0.00 175.17 175.16 2gqb n SER 15 N 1.56 -0.08 0.02 -0.34 7.64 -1.26 -4.91 113.62 116.25 2gqb n SER 15 Ca -0.21 -1.66 0.00 0.00 1.01 0.00 0.00 58.87 58.01 2gqb n SER 15 Cb 0.56 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 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 0.09 2.89 0.08 -0.43 0.00 -1.26 -4.60 120.51 117.28 2gqb n ALA 16 Ca -0.06 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.39 2gqb n ALA 16 Cb 0.71 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.13 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 0.65 -0.01 0.00 0.00 -1.98 -3.27 119.26 114.65 2gqb h ALA 17 Ca 0.00 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.26 2gqb h ALA 17 Cb 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2gqb h ALA 17 CO 0.00 0.77 -0.23 0.00 0.00 0.00 0.00 179.25 179.79 2gqb n ALA 18 N -2.31 2.94 -1.85 0.00 0.00 -1.26 -5.07 120.51 112.96 2gqb n ALA 18 Ca -0.04 -2.94 -0.41 0.00 0.00 0.00 0.00 53.44 50.05 2gqb n ALA 18 Cb 0.79 -0.38 -0.02 0.00 0.00 0.00 0.00 19.45 19.84 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 -3.03 6.59 -0.20 0.00 1.04 -1.24 -4.64 113.70 112.23 2gqb s SER 19 Ca 0.35 2.73 -0.29 0.00 0.48 0.00 0.00 55.95 59.23 2gqb s SER 19 Cb 0.32 -2.63 -0.04 0.00 0.10 0.00 0.00 66.02 63.77 2gqb s SER 19 CO -0.02 -0.74 1.94 -2.84 0.98 0.00 0.00 173.24 172.56 2gqb s PRO 20 N -0.47 3.51 0.10 4.02 0.02 -1.26 -4.92 135.00 135.99 2gqb s PRO 20 Ca 0.60 1.91 -0.26 0.00 0.02 0.00 0.00 61.00 63.27 2gqb s PRO 20 Cb -0.43 -4.22 0.09 0.00 0.02 0.00 0.00 34.50 29.96 2gqb s PRO 20 CO 0.45 -1.66 1.12 0.20 -0.33 0.00 0.00 177.00 176.78 2gqb s GLY 21 N 6.18 -0.11 0.29 0.52 0.00 -1.26 -5.16 107.32 107.77 2gqb s GLY 21 Ca 0.87 0.05 0.07 0.00 0.00 0.00 0.00 44.72 45.70 2gqb s GLY 21 CO 0.34 2.06 -0.05 -0.32 0.00 0.00 0.00 173.10 175.13 2gqb s GLY 22 N -3.30 1.88 0.07 0.20 0.00 -1.26 -5.16 107.32 99.74 2gqb s GLY 22 Ca 0.20 -1.93 0.02 0.00 0.00 0.00 0.00 44.72 43.01 2gqb s GLY 22 CO 0.02 -1.85 -0.07 0.00 0.00 0.00 0.00 173.10 171.19 2gqb s ALA 23 N -3.00 0.75 0.36 3.20 0.00 -1.26 -5.00 121.76 116.81 2gqb s ALA 23 Ca 0.30 -1.02 0.08 0.00 0.00 0.00 0.00 51.96 51.32 2gqb s ALA 23 Cb 0.04 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 2gqb s ALA 23 CO 0.12 -0.11 0.29 -0.65 0.00 0.00 0.00 175.76 175.41 2gqb s GLN 24 N -2.56 2.59 0.27 0.00 -1.52 -1.26 -5.09 119.66 112.09 2gqb s GLN 24 Ca -0.01 -1.43 -0.29 0.00 -1.95 0.00 0.00 55.36 51.68 2gqb s GLN 24 Cb -0.03 -2.38 -0.09 0.00 -0.22 0.00 0.00 33.01 30.28 2gqb s GLN 24 CO -0.02 0.00 1.17 0.00 -0.25 0.00 0.00 175.29 176.20 2gqb s ALA 25 N -2.38 3.44 0.33 6.09 0.00 -1.26 -4.97 121.76 123.01 2gqb s ALA 25 Ca 0.43 1.00 -0.29 0.00 0.00 0.00 0.00 51.96 53.10 2gqb s ALA 25 Cb -0.04 -3.38 -0.11 0.00 0.00 0.00 0.00 23.12 19.58 2gqb s ALA 25 CO 0.26 -0.33 1.53 -2.30 0.00 0.00 0.00 175.76 174.93 2gqb n PRO 26 N 1.37 2.67 -1.73 0.00 -0.02 -1.26 -4.85 135.00 131.17 2gqb n PRO 26 Ca 0.00 0.94 -0.25 0.00 -2.02 0.00 0.00 63.50 62.17 2gqb n PRO 26 Cb 0.44 -2.69 -0.05 0.00 -0.02 0.00 0.00 33.50 31.18 2gqb n PRO 26 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gqb s ALA 27 N -0.58 1.33 -0.13 3.55 0.00 -1.26 -4.93 121.76 119.75 2gqb s ALA 27 Ca 0.59 -0.71 -0.20 0.00 0.00 0.00 0.00 51.96 51.63 2gqb s ALA 27 Cb -0.49 -4.48 -0.04 0.00 0.00 0.00 0.00 23.12 18.12 2gqb s ALA 27 CO 0.56 -5.05 0.55 -0.08 0.00 0.00 0.00 175.76 171.75 2gqb s THR 28 N 12.39 5.12 0.00 0.00 -1.32 -1.26 -4.63 115.64 125.94 2gqb s THR 28 Ca 0.86 1.09 0.00 0.00 -1.21 0.00 0.00 61.69 62.43 2gqb s THR 28 Cb -0.13 -3.89 0.00 0.00 -1.51 0.00 0.00 72.50 66.98 2gqb s THR 28 CO 0.13 0.25 0.00 0.41 -2.21 0.00 0.00 174.62 173.20 2gqb n THR 29 N 4.00 0.00 0.00 5.08 -1.04 -1.26 -4.05 114.28 117.01 2gqb n THR 29 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 2gqb n THR 29 Cb 0.51 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 2gqb n THR 29 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2gqb n GLY 30 N 0.00 -1.21 2.48 3.41 0.00 -1.26 -5.10 105.19 103.51 2gqb n GLY 30 Ca 0.00 0.75 -0.29 0.00 0.00 0.00 0.00 46.02 46.48 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 0.00 0.90 -2.04 4.61 0.00 -1.26 -4.85 121.76 119.13 2gqb s ALA 31 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.19 2gqb s ALA 31 Cb 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.54 2gqb s ALA 31 CO 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 175.76 173.71 2gqb n ALA 32 N 4.19 -0.29 1.85 0.00 0.00 -1.26 -4.83 120.51 120.17 2gqb n ALA 32 Ca 0.10 0.31 0.03 0.00 0.00 0.00 0.00 53.44 53.87 2gqb n ALA 32 Cb 0.38 -2.00 0.14 0.00 0.00 0.00 0.00 19.45 17.97 2gqb n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gqb n GLY 33 N -0.36 -0.77 0.22 0.00 0.00 -1.26 -3.50 105.19 99.52 2gqb n GLY 33 Ca -0.19 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 45.75 2gqb n GLY 33 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2gqb h THR 34 N 0.31 1.24 -3.74 2.61 2.02 -1.99 -3.40 112.91 109.94 2gqb h THR 34 Ca 0.00 -1.13 -0.65 0.00 0.77 0.00 0.00 66.41 65.40 2gqb h THR 34 Cb 0.07 1.45 -0.17 0.00 -1.74 0.00 0.00 68.15 67.77 2gqb h THR 34 CO 0.00 0.34 -0.35 0.00 0.37 0.00 0.00 175.52 175.88 2gqb s ALA 35 N -4.43 3.52 -0.23 6.16 0.00 -1.23 -5.04 121.76 120.52 2gqb s ALA 35 Ca -0.05 -1.09 -0.29 0.00 0.00 0.00 0.00 51.96 50.53 2gqb s ALA 35 Cb 0.14 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.54 2gqb s ALA 35 CO 0.75 -0.82 1.76 -2.14 0.00 0.00 0.00 175.76 175.31 2gqb s PRO 36 N 1.94 3.62 -0.81 0.00 0.02 -1.26 -4.94 135.00 133.57 2gqb s PRO 36 Ca 0.11 1.71 -0.25 0.00 0.02 0.00 0.00 61.00 62.59 2gqb s PRO 36 Cb -0.16 -4.13 0.05 0.00 0.02 0.00 0.00 34.50 30.28 2gqb s PRO 36 CO 0.11 -1.51 1.26 0.99 -0.33 0.00 0.00 177.00 177.52 2gqb s THR 37 N 5.94 3.94 -0.25 0.99 2.01 -1.26 -4.95 115.64 122.06 2gqb s THR 37 Ca 0.78 -0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.62 2gqb s THR 37 Cb -0.26 -4.91 0.07 0.00 0.01 0.00 0.00 72.50 67.41 2gqb s THR 37 CO 0.32 -1.79 -0.01 0.00 -0.69 0.00 0.00 174.62 172.45 2gqb s ALA 38 N 5.05 1.91 0.08 7.40 0.00 -1.26 -5.00 121.76 129.93 2gqb s ALA 38 Ca 0.36 -1.48 -0.31 0.00 0.00 0.00 0.00 51.96 50.53 2gqb s ALA 38 Cb -0.07 -1.50 -0.07 0.00 0.00 0.00 0.00 23.12 21.47 2gqb s ALA 38 CO 0.06 -1.32 1.46 -2.14 0.00 0.00 0.00 175.76 173.81 2gqb s PRO 39 N 1.42 4.28 -0.45 0.00 0.02 -1.26 -5.00 135.00 134.01 2gqb s PRO 39 Ca -0.01 2.12 -0.14 0.00 0.02 0.00 0.00 61.00 62.99 2gqb s PRO 39 Cb -0.18 -3.40 0.06 0.00 0.02 0.00 0.00 34.50 31.00 2gqb s PRO 39 CO -0.10 -0.55 0.34 -1.14 -0.33 0.00 0.00 177.00 175.23 2gqb s GLN 40 N 1.77 2.89 -0.56 5.54 0.74 -1.26 -5.04 119.66 123.74 2gqb s GLN 40 Ca 0.67 -1.31 -0.28 0.00 0.05 0.00 0.00 55.36 54.48 2gqb s GLN 40 Cb -0.36 -4.01 0.03 0.00 1.10 0.00 0.00 33.01 29.77 2gqb s GLN 40 CO 0.30 -0.95 1.16 -2.14 -0.55 0.00 0.00 175.29 173.11 2gqb s PRO 41 N 1.60 3.55 -0.11 1.67 0.02 -1.26 -4.90 135.00 135.56 2gqb s PRO 41 Ca 0.04 0.28 -0.28 0.00 0.02 0.00 0.00 61.00 61.06 2gqb s PRO 41 Cb -0.23 -3.99 -0.24 0.00 0.02 0.00 0.00 34.50 30.05 2gqb s PRO 41 CO 0.06 -1.60 0.89 1.15 -0.33 0.00 0.00 177.00 177.17 2gqb h THR 42 N 6.17 1.69 -2.81 0.99 2.02 -2.03 -3.49 112.91 115.44 2gqb h THR 42 Ca -0.25 -2.04 -0.01 0.00 0.77 0.00 0.00 66.41 64.88 2gqb h THR 42 Cb 1.06 3.08 0.01 0.00 -1.74 0.00 0.00 68.15 70.55 2gqb h THR 42 CO 1.17 0.53 0.26 0.00 0.37 0.00 0.00 175.52 177.85 2gqb n ALA 43 N -2.54 -1.59 -3.32 6.16 0.00 -1.26 -5.13 120.51 112.82 2gqb n ALA 43 Ca -0.10 -1.07 -0.20 0.00 0.00 0.00 0.00 53.44 52.08 2gqb n ALA 43 Cb 0.42 0.83 -0.08 0.00 0.00 0.00 0.00 19.45 20.62 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 -1.92 0.02 -1.52 0.00 0.00 -1.26 -5.00 121.76 112.08 2gqb s ALA 44 Ca 0.14 -1.40 0.26 0.00 0.00 0.00 0.00 51.96 50.97 2gqb s ALA 44 Cb -0.04 -1.95 1.36 0.00 0.00 0.00 0.00 23.12 22.49 2gqb s ALA 44 CO 0.10 -2.12 1.89 -0.35 0.00 0.00 0.00 175.76 175.29 2gqb n PRO 45 N 3.77 0.44 -3.73 0.00 -0.04 -1.26 -4.75 135.00 129.43 2gqb n PRO 45 Ca 0.16 0.03 -0.13 0.00 -0.04 0.00 0.00 63.50 63.52 2gqb n PRO 45 Cb 0.45 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.32 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 -2.48 -0.33 -0.52 3.54 0.15 -1.26 -5.09 113.70 107.71 2gqb s SER 46 Ca 0.27 0.48 -0.20 0.00 0.70 0.00 0.00 55.95 57.21 2gqb s SER 46 Cb 0.18 0.57 0.06 0.00 -1.71 0.00 0.00 66.02 65.12 2gqb s SER 46 CO 0.38 -0.30 0.66 -0.63 1.20 0.00 0.00 173.24 174.55 2gqb s ILE 47 N -0.55 4.82 -0.46 6.45 -1.09 -0.23 -4.89 121.20 125.26 2gqb s ILE 47 Ca -0.07 -0.45 -0.29 0.00 -2.23 0.00 0.00 60.65 57.62 2gqb s ILE 47 Cb -0.04 -4.34 0.02 0.00 -1.58 0.00 0.00 42.46 36.53 2gqb s ILE 47 CO 0.03 -0.86 1.28 -0.62 -1.23 0.00 0.00 174.94 173.54 2gqb s ASP 48 N 2.77 6.46 0.35 3.58 -1.08 -1.26 0.12 116.67 127.62 2gqb s ASP 48 Ca 0.16 0.59 0.19 0.00 -0.52 0.00 0.00 52.55 52.98 2gqb s ASP 48 Cb -0.19 -2.55 0.30 0.00 -1.46 0.00 0.00 42.92 39.03 2gqb s ASP 48 CO 0.12 -1.38 1.56 0.58 0.52 0.00 0.00 175.17 176.58 2gqb h VAL 49 N 6.35 0.56 0.39 1.11 2.07 -1.41 -3.37 116.25 121.95 2gqb h VAL 49 Ca -0.25 -1.68 -0.01 0.00 0.82 0.00 0.00 66.70 65.58 2gqb h VAL 49 Cb 1.08 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 33.02 2gqb h VAL 49 CO 1.12 0.30 -0.36 0.00 0.02 0.00 0.00 177.57 178.65 2gqb h ALA 50 N 1.69 -0.80 0.00 1.67 0.00 -1.90 -1.49 119.26 118.43 2gqb h ALA 50 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2gqb h ALA 50 Cb 1.16 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2gqb h ALA 50 CO 0.04 -0.99 0.00 -0.35 0.00 0.00 0.00 179.25 177.95 2gqb n PRO 51 N -5.47 0.25 -0.02 0.00 -0.04 -1.26 -1.44 135.00 127.02 2gqb n PRO 51 Ca -0.10 0.09 -0.13 0.00 -0.04 0.00 0.00 63.50 63.32 2gqb n PRO 51 Cb 0.37 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.19 2gqb n PRO 51 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2gqb n ILE 52 N -1.33 1.64 -0.13 0.52 5.41 -0.86 -3.80 119.36 120.82 2gqb n ILE 52 Ca 0.09 -0.76 -0.27 0.00 1.00 0.00 0.00 62.75 62.82 2gqb n ILE 52 Cb 0.19 -1.21 -0.11 0.00 -0.71 0.00 0.00 39.64 37.81 2gqb n ILE 52 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2gqb n LEU 53 N -3.15 2.05 0.05 1.39 4.32 -0.62 -3.69 117.00 117.35 2gqb n LEU 53 Ca -0.23 0.31 -0.08 0.00 -0.02 0.00 0.00 56.01 56.00 2gqb n LEU 53 Cb 1.06 -0.87 0.08 0.00 -1.62 0.00 0.00 43.42 42.06 2gqb n LEU 53 CO 0.44 0.55 0.45 -0.78 -1.22 0.00 0.00 177.39 176.83 2gqb h ASP 54 N -0.88 0.44 1.54 -1.43 1.82 -1.47 0.87 116.42 117.32 2gqb h ASP 54 Ca -0.61 -0.26 -0.06 0.00 -0.39 0.00 0.00 57.03 55.72 2gqb h ASP 54 Cb 1.59 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 41.46 2gqb h ASP 54 CO -0.33 0.95 -0.47 0.11 -1.61 0.00 0.00 179.24 177.88 2gqb h LYS 55 N 0.29 0.00 0.00 0.28 1.79 -1.69 -3.20 116.57 114.04 2gqb h LYS 55 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2gqb h LYS 55 Cb 1.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 2gqb h LYS 55 CO 0.10 0.21 -0.85 0.00 -1.08 0.00 0.00 179.45 177.84 2gqb n ALA 56 N -2.19 3.65 0.11 3.86 0.00 -1.12 -4.07 120.51 120.76 2gqb n ALA 56 Ca 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2gqb n ALA 56 Cb 0.64 -0.99 0.31 0.00 0.00 0.00 0.00 19.45 19.41 2gqb n ALA 56 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2gqb h VAL 57 N 0.00 1.25 0.00 0.00 3.04 -0.81 -0.32 116.25 119.41 2gqb h VAL 57 Ca 0.00 -1.19 0.00 0.00 -1.01 0.00 0.00 66.70 64.50 2gqb h VAL 57 Cb 0.63 1.48 0.00 0.00 -2.01 0.00 0.00 31.29 31.39 2gqb h VAL 57 CO 0.00 0.36 0.00 0.07 -1.01 0.00 0.00 177.57 176.99 2gqb h LYS 58 N 0.19 0.00 0.00 4.17 2.10 -1.71 -2.46 116.57 118.86 2gqb h LYS 58 Ca 0.03 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.46 2gqb h LYS 58 Cb 0.61 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.91 2gqb h LYS 58 CO 0.04 0.00 -1.42 0.00 -2.00 0.00 0.00 179.45 176.08 2gqb h ALA 59 N 2.35 0.67 -0.45 0.07 0.00 -1.31 -3.27 119.26 117.33 2gqb h ALA 59 Ca 0.00 -1.07 -0.05 0.00 0.00 0.00 0.00 54.91 53.79 2gqb h ALA 59 Cb 0.57 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2gqb h ALA 59 CO 0.00 1.19 0.06 -0.22 0.00 0.00 0.00 179.25 180.29 2gqb h LYS 60 N 0.00 0.69 0.00 0.00 3.11 -0.76 -3.47 116.57 116.15 2gqb h LYS 60 Ca -0.18 -0.15 0.00 0.00 -2.81 0.00 0.00 60.65 57.51 2gqb h LYS 60 Cb 1.76 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.89 2gqb h LYS 60 CO 0.07 0.67 0.00 0.41 -2.81 0.00 0.00 179.45 177.79 2gqb n GLY 61 N -0.85 1.69 3.64 5.01 0.00 -1.00 -5.11 105.19 108.58 2gqb n GLY 61 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 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 0.50 -0.61 1.61 -1.05 -1.09 -5.03 118.70 113.02 2gqb s GLU 62 Ca 0.00 0.84 -0.28 0.00 -0.15 0.00 0.00 54.97 55.38 2gqb s GLU 62 Cb 0.00 0.11 0.02 0.00 -0.44 0.00 0.00 34.13 33.83 2gqb s GLU 62 CO 0.00 -0.10 1.32 0.21 0.95 0.00 0.00 175.26 177.64 2gqb s LYS 63 N 1.33 3.34 0.27 -4.83 2.36 -1.26 -4.25 119.74 116.70 2gqb s LYS 63 Ca -0.08 0.24 0.07 0.00 -2.55 0.00 0.00 55.97 53.64 2gqb s LYS 63 Cb -0.04 -4.10 -0.03 0.00 -1.05 0.00 0.00 37.83 32.60 2gqb s LYS 63 CO -0.16 -1.91 0.28 -0.51 1.55 0.00 0.00 175.35 174.60 2gqb s LEU 64 N 5.67 3.93 -0.90 5.43 1.43 -1.26 -5.06 118.68 127.93 2gqb s LEU 64 Ca 0.46 -0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 53.35 2gqb s LEU 64 Cb -0.09 -2.50 0.25 0.00 0.03 0.00 0.00 46.19 43.88 2gqb s LEU 64 CO 0.23 -0.12 0.97 -0.62 0.23 0.00 0.00 176.35 177.03 2gqb n GLU 65 N -1.31 3.11 0.30 1.70 -0.58 -1.26 -4.83 120.64 117.77 2gqb n GLU 65 Ca -0.07 -4.54 0.20 0.00 -0.42 0.00 0.00 57.16 52.33 2gqb n GLU 65 Cb 0.58 -2.41 0.96 0.00 -0.57 0.00 0.00 31.44 29.99 2gqb n GLU 65 CO 0.00 0.00 0.00 0.11 -0.48 0.00 0.00 177.13 176.76 2gqb h TRP 66 N 5.52 0.00 0.00 -0.32 5.08 -1.89 0.48 115.95 124.82 2gqb h TRP 66 Ca 0.18 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.15 2gqb h TRP 66 Cb 0.74 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.90 2gqb h TRP 66 CO 0.79 0.00 0.00 2.89 -1.28 0.00 0.00 178.44 180.84 2gqb n ARG 67 N -3.03 0.16 0.00 0.12 1.85 -1.26 -4.05 116.66 110.45 2gqb n ARG 67 Ca -0.01 0.24 0.00 0.00 -1.00 0.00 0.00 57.85 57.08 2gqb n ARG 67 Cb 0.17 -1.73 0.00 0.00 -1.05 0.00 0.00 32.46 29.85 2gqb n ARG 67 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2gqb n THR 68 N -2.03 0.00 -3.54 8.89 -2.24 -0.77 -4.68 114.28 109.91 2gqb n THR 68 Ca 0.05 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.46 2gqb n THR 68 Cb 0.32 -0.75 -0.08 0.00 -2.10 0.00 0.00 70.33 67.73 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 -4.32 6.33 0.14 3.42 0.01 0.16 -4.87 113.70 114.58 2gqb s SER 69 Ca 0.00 0.38 0.07 0.00 1.31 0.00 0.00 55.95 57.71 2gqb s SER 69 Cb 0.00 -2.17 -0.12 0.00 0.21 0.00 0.00 66.02 63.94 2gqb s SER 69 CO 0.00 0.04 1.33 -0.29 0.41 0.00 0.00 173.24 174.73 2gqb h ILE 70 N 4.89 1.67 0.00 1.44 6.09 -1.84 -3.14 117.51 126.62 2gqb h ILE 70 Ca -0.39 -3.21 -0.05 0.00 -1.37 0.00 0.00 64.86 59.84 2gqb h ILE 70 Cb 1.16 2.74 -0.01 0.00 0.47 0.00 0.00 36.82 41.18 2gqb h ILE 70 CO 0.72 0.92 -0.24 1.62 -3.07 0.00 0.00 178.15 178.09 2gqb h VAL 71 N 0.00 0.79 -0.02 2.19 3.04 -1.93 -2.64 116.25 117.69 2gqb h VAL 71 Ca -0.01 -0.98 -0.14 0.00 -1.01 0.00 0.00 66.70 64.56 2gqb h VAL 71 Cb 1.67 1.60 0.01 0.00 -2.01 0.00 0.00 31.29 32.56 2gqb h VAL 71 CO 0.12 0.24 -0.53 0.44 -1.01 0.00 0.00 177.57 176.83 2gqb h ASP 72 N 0.00 0.50 0.39 3.17 5.19 -1.86 -2.00 116.42 121.80 2gqb h ASP 72 Ca -0.00 -0.74 -0.13 0.00 -0.62 0.00 0.00 57.03 55.54 2gqb h ASP 72 Cb 0.58 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 2gqb h ASP 72 CO 0.03 1.17 -0.54 0.17 -3.12 0.00 0.00 179.24 176.95 2gqb h LEU 73 N -0.13 0.19 -0.08 1.55 8.10 -1.60 -0.90 115.31 122.44 2gqb h LEU 73 Ca -0.06 -0.10 0.00 0.00 0.11 0.00 0.00 57.88 57.83 2gqb h LEU 73 Cb 1.24 -0.05 -0.01 0.00 -0.44 0.00 0.00 40.66 41.40 2gqb h LEU 73 CO 0.11 0.70 0.04 -0.03 -4.11 0.00 0.00 178.44 175.14 2gqb h MET 74 N 0.13 0.09 -0.15 0.17 4.05 -1.44 -2.78 114.93 115.00 2gqb h MET 74 Ca 0.00 -0.01 -0.17 0.00 -0.28 0.00 0.00 59.70 59.25 2gqb h MET 74 Cb 1.00 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.78 2gqb h MET 74 CO 0.08 0.06 -0.61 1.57 0.23 0.00 0.00 176.91 178.24 2gqb h LYS 75 N 0.09 0.51 -0.69 0.39 2.10 -1.24 -2.70 116.57 115.02 2gqb h LYS 75 Ca 0.03 -0.35 0.06 0.00 -2.00 0.00 0.00 60.65 58.39 2gqb h LYS 75 Cb 0.00 0.05 -0.05 0.00 -0.90 0.00 0.00 32.23 31.33 2gqb h LYS 75 CO -0.02 0.96 0.40 0.00 -2.00 0.00 0.00 179.45 178.79 2gqb h ALA 76 N 0.96 0.93 0.17 0.07 0.00 -0.99 -3.26 119.26 117.14 2gqb h ALA 76 Ca -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2gqb h ALA 76 Cb 1.16 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2gqb h ALA 76 CO 0.11 0.09 -0.08 -0.07 0.00 0.00 0.00 179.25 179.30 2gqb h LEU 77 N 0.74 -0.19 -0.19 0.00 -0.00 -1.54 -3.44 115.31 110.68 2gqb h LEU 77 Ca 0.31 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.19 2gqb h LEU 77 Cb 0.17 0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.88 2gqb h LEU 77 CO -0.17 -0.07 0.00 -0.67 -0.00 0.00 0.00 178.44 177.53 2gqb n ASP 78 N -3.01 0.00 -4.65 -0.43 2.03 -1.23 -5.10 116.55 104.16 2gqb n ASP 78 Ca -0.03 -0.76 -0.32 0.00 0.52 0.00 0.00 54.79 54.20 2gqb n ASP 78 Cb 0.09 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.40 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 3.90 -0.89 5.18 -1.09 -1.02 -4.98 121.20 122.30 2gqb s ILE 79 Ca 0.00 -0.78 0.18 0.00 -2.23 0.00 0.00 60.65 57.82 2gqb s ILE 79 Cb 0.00 -2.75 0.16 0.00 -1.58 0.00 0.00 42.46 38.29 2gqb s ILE 79 CO 0.00 0.31 1.57 0.47 -1.23 0.00 0.00 174.94 176.06 2gqb n ASP 80 N 1.24 0.16 -2.16 3.58 9.92 -1.26 -4.11 116.55 123.92 2gqb n ASP 80 Ca -0.14 0.54 -0.08 0.00 -0.53 0.00 0.00 54.79 54.57 2gqb n ASP 80 Cb 0.52 -0.57 -0.01 0.00 -0.64 0.00 0.00 41.12 40.42 2gqb n ASP 80 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2gqb n SER 81 N -1.67 -2.77 -1.97 -2.24 3.41 -1.26 -4.93 113.62 102.19 2gqb n SER 81 Ca 0.04 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 2gqb n SER 81 Cb 0.21 -2.48 0.00 0.00 -0.26 0.00 0.00 64.21 61.67 2gqb n SER 81 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2gqb n SER 82 N -1.27 0.00 -0.08 4.04 2.88 -1.26 -4.79 113.62 113.14 2gqb n SER 82 Ca -0.09 -0.43 -0.10 0.00 -1.33 0.00 0.00 58.87 56.91 2gqb n SER 82 Cb 0.50 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.92 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 0.38 -0.73 2.46 7.12 -1.99 -2.47 115.31 120.08 2gqb h LEU 83 Ca 0.00 -0.21 0.07 0.00 0.13 0.00 0.00 57.88 57.87 2gqb h LEU 83 Cb 0.00 -0.10 -0.06 0.00 -0.53 0.00 0.00 40.66 39.97 2gqb h LEU 83 CO 0.00 0.49 0.41 0.28 -0.13 0.00 0.00 178.44 179.49 2gqb h SER 84 N 0.25 0.60 0.56 1.25 0.02 -1.99 -0.86 113.55 113.38 2gqb h SER 84 Ca 0.08 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 2gqb h SER 84 Cb 0.25 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 62.72 2gqb h SER 84 CO -0.00 0.37 -0.27 0.00 -1.14 0.00 0.00 176.83 175.79 2gqb h ALA 85 N 1.39 -0.75 0.00 3.77 0.00 -1.86 -1.28 119.26 120.54 2gqb h ALA 85 Ca 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2gqb h ALA 85 Cb 0.26 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2gqb h ALA 85 CO -0.21 -0.89 0.00 0.07 0.00 0.00 0.00 179.25 178.22 2gqb h ARG 86 N -0.81 0.00 0.21 0.00 0.11 -1.24 -1.31 114.38 111.34 2gqb h ARG 86 Ca -0.08 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.99 2gqb h ARG 86 Cb 0.60 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.68 2gqb h ARG 86 CO 0.13 0.00 -0.10 -0.22 0.10 0.00 0.00 179.97 179.87 2gqb h LYS 87 N 0.00 -0.27 0.00 0.08 1.63 -0.74 -3.18 116.57 114.09 2gqb h LYS 87 Ca 0.00 0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.75 2gqb h LYS 87 Cb 0.31 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 2gqb h LYS 87 CO 0.00 -0.15 -0.33 1.05 -3.45 0.00 0.00 179.45 176.57 2gqb h GLU 88 N -1.07 0.00 0.23 1.90 4.11 -1.13 -0.80 114.58 117.82 2gqb h GLU 88 Ca -0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 2gqb h GLU 88 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2gqb h GLU 88 CO 0.05 0.33 -0.11 1.25 0.07 0.00 0.00 179.01 180.60 2gqb h LEU 89 N 0.00 -0.26 -1.05 3.06 5.85 -1.38 -0.68 115.31 120.85 2gqb h LEU 89 Ca -0.00 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 2gqb h LEU 89 Cb 0.87 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 2gqb h LEU 89 CO 0.04 0.06 0.01 0.00 -0.34 0.00 0.00 178.44 178.21 2gqb h ALA 90 N 0.10 1.22 -0.65 1.25 0.00 -1.52 -2.77 119.26 116.89 2gqb h ALA 90 Ca -0.03 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.65 2gqb h ALA 90 Cb 0.43 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2gqb h ALA 90 CO 0.05 0.52 0.43 -0.22 0.00 0.00 0.00 179.25 180.03 2gqb h LYS 91 N 0.65 0.85 0.00 0.00 3.64 -1.02 -1.32 116.57 119.38 2gqb h LYS 91 Ca 0.13 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2gqb h LYS 91 Cb 0.39 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2gqb h LYS 91 CO 0.01 0.56 0.00 0.93 -2.27 0.00 0.00 179.45 178.69 2gqb h GLU 92 N 0.88 0.00 0.05 1.90 4.39 -0.92 -3.11 114.58 117.77 2gqb h GLU 92 Ca 0.24 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.64 2gqb h GLU 92 Cb -0.10 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 2gqb h GLU 92 CO -0.05 0.00 -1.61 -0.07 -1.16 0.00 0.00 179.01 176.12 2gqb h LEU 93 N 0.00 0.16 0.00 1.33 3.38 -1.13 -3.49 115.31 115.56 2gqb h LEU 93 Ca 0.00 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2gqb h LEU 93 Cb 0.68 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2gqb h LEU 93 CO 0.00 1.24 0.00 0.61 0.09 0.00 0.00 178.44 180.38 2gqb n GLY 94 N 1.62 2.39 2.70 0.83 0.00 -0.56 -5.06 105.19 107.10 2gqb n GLY 94 Ca -0.17 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 45.56 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 -4.02 -3.69 1.61 9.36 -0.81 -4.86 117.16 114.75 2gqb n TYR 95 Ca 0.00 2.00 -0.11 0.00 3.32 0.00 0.00 57.90 63.12 2gqb n TYR 95 Cb 0.00 -3.86 -0.11 0.00 -0.63 0.00 0.00 39.34 34.74 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 -1.25 -0.29 0.00 2.98 0.15 -1.26 -5.03 113.70 109.00 2gqb s SER 96 Ca -0.10 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.35 2gqb s SER 96 Cb 0.01 0.83 0.00 0.00 -1.71 0.00 0.00 66.02 65.14 2gqb s SER 96 CO 0.76 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.60 2gqb n GLY 97 N 4.67 4.30 2.01 9.45 0.00 -1.26 -5.08 105.19 119.28 2gqb n GLY 97 Ca -0.18 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 0.00 -0.15 -0.28 1.61 2.03 -1.26 -4.89 116.55 113.60 2gqb n ASP 98 Ca 0.00 0.13 0.11 0.00 0.52 0.00 0.00 54.79 55.55 2gqb n ASP 98 Cb 0.00 0.24 0.50 0.00 -0.72 0.00 0.00 41.12 41.14 2gqb n ASP 98 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 2gqb n MET 99 N -2.73 1.37 0.24 -0.67 0.00 -1.26 -3.27 117.12 110.79 2gqb n MET 99 Ca 0.00 -0.55 0.13 0.00 0.00 0.00 0.00 57.70 57.28 2gqb n MET 99 Cb 0.00 -1.37 0.38 0.00 0.00 0.00 0.00 33.22 32.23 2gqb n MET 99 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 175.97 173.02 2gqb h ASN 100 N 1.15 0.00 -3.34 3.17 -1.07 -1.98 -3.50 115.58 110.02 2gqb h ASN 100 Ca 0.00 0.00 0.35 0.00 0.07 0.00 0.00 56.30 56.72 2gqb h ASN 100 Cb 0.25 0.00 -0.09 0.00 -2.07 0.00 0.00 38.32 36.41 2gqb h ASN 100 CO 0.00 0.05 -0.47 -0.67 0.07 0.00 0.00 177.43 176.41 2gqb n ASP 101 N -3.13 -7.75 0.28 6.14 2.03 -1.20 -2.19 116.55 110.73 2gqb n ASP 101 Ca 0.02 1.40 0.18 0.00 0.52 0.00 0.00 54.79 56.91 2gqb n ASP 101 Cb 0.45 -3.94 0.75 0.00 -0.72 0.00 0.00 41.12 37.66 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 -1.21 0.00 0.89 1.67 0.02 -1.95 -2.73 113.55 110.25 2gqb h SER 102 Ca 0.03 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 2gqb h SER 102 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2gqb h SER 102 CO 0.01 0.00 -0.49 0.00 -1.14 0.00 0.00 176.83 175.20 2gqb h ALA 103 N 2.01 -1.32 0.00 3.77 0.00 -1.99 -2.63 119.26 119.10 2gqb h ALA 103 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2gqb h ALA 103 Cb 0.44 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2gqb h ALA 103 CO 0.00 -1.25 0.00 0.43 0.00 0.00 0.00 179.25 178.43 2gqb n SER 104 N -5.64 0.00 -0.10 0.00 7.64 -0.93 -3.50 113.62 111.09 2gqb n SER 104 Ca -0.16 0.28 -0.12 0.00 1.01 0.00 0.00 58.87 59.88 2gqb n SER 104 Cb 0.52 -0.43 -0.04 0.00 -1.01 0.00 0.00 64.21 63.26 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 0.56 -0.17 1.43 -1.53 -1.14 -0.07 114.93 114.01 2gqb h MET 105 Ca 0.00 -0.22 -0.06 0.00 -3.44 0.00 0.00 59.70 55.98 2gqb h MET 105 Cb 0.42 -0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.43 2gqb h MET 105 CO 0.00 0.77 -0.16 -0.97 0.14 0.00 0.00 176.91 176.69 2gqb h ASN 106 N 0.32 0.26 0.32 1.39 -1.24 -1.54 -2.36 115.58 112.72 2gqb h ASN 106 Ca 0.07 -0.06 -0.02 0.00 0.71 0.00 0.00 56.30 57.00 2gqb h ASN 106 Cb 0.57 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.56 2gqb h ASN 106 CO 0.03 0.45 -0.15 0.40 -1.29 0.00 0.00 177.43 176.86 2gqb h ILE 107 N 0.26 0.38 -0.50 2.57 2.04 -1.62 -2.73 117.51 117.91 2gqb h ILE 107 Ca 0.05 -0.77 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 2gqb h ILE 107 Cb 0.44 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 2gqb h ILE 107 CO 0.03 0.09 0.29 -0.25 0.00 0.00 0.00 178.15 178.31 2gqb h TRP 108 N -1.00 0.66 -0.84 1.37 7.01 -1.01 -1.73 115.95 120.40 2gqb h TRP 108 Ca -0.04 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 60.96 2gqb h TRP 108 Cb 0.48 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 27.29 2gqb h TRP 108 CO 0.03 0.46 0.55 -0.07 -2.79 0.00 0.00 178.44 176.62 2gqb h LEU 109 N 0.66 0.97 -1.55 0.65 4.07 -1.55 -0.88 115.31 117.68 2gqb h LEU 109 Ca 0.18 -0.03 -0.04 0.00 0.08 0.00 0.00 57.88 58.07 2gqb h LEU 109 Cb 0.00 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.50 2gqb h LEU 109 CO -0.03 0.71 -0.17 -0.74 -1.08 0.00 0.00 178.44 177.12 2gqb h HIS 110 N 1.14 0.00 0.01 1.13 2.76 -1.00 -1.01 115.15 118.17 2gqb h HIS 110 Ca 0.31 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.48 2gqb h HIS 110 Cb -0.12 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.84 2gqb h HIS 110 CO 0.00 0.17 -0.00 0.87 -1.30 0.00 0.00 177.93 177.67 2gqb h LYS 111 N 0.00 -0.01 -0.19 5.26 1.79 -0.76 -3.21 116.57 119.44 2gqb h LYS 111 Ca -0.00 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 2gqb h LYS 111 Cb 0.53 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.17 2gqb h LYS 111 CO 0.02 0.80 -0.04 0.37 -1.08 0.00 0.00 179.45 179.52 2gqb h GLN 112 N -0.97 0.37 -0.60 3.15 5.75 -0.98 -2.25 115.11 119.58 2gqb h GLN 112 Ca -0.00 -0.14 -0.01 0.00 -0.15 0.00 0.00 58.65 58.35 2gqb h GLN 112 Cb 0.81 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.31 2gqb h GLN 112 CO 0.00 0.61 0.32 0.28 -2.65 0.00 0.00 178.83 177.40 2gqb h VAL 113 N 0.09 1.18 -0.88 2.39 2.07 -1.39 -2.39 116.25 117.32 2gqb h VAL 113 Ca 0.05 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 2gqb h VAL 113 Cb 0.47 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 2gqb h VAL 113 CO 0.02 0.20 0.50 -0.03 0.02 0.00 0.00 177.57 178.28 2gqb h MET 114 N 0.83 1.21 0.00 1.57 1.85 -1.45 -0.39 114.93 118.55 2gqb h MET 114 Ca 0.21 -0.13 -0.01 0.00 -0.61 0.00 0.00 59.70 59.17 2gqb h MET 114 Cb 0.03 -0.24 -0.00 0.00 0.43 0.00 0.00 31.60 31.81 2gqb h MET 114 CO -0.03 0.87 -0.04 0.77 -0.40 0.00 0.00 176.91 178.08 2gqb h SER 115 N 1.22 0.00 0.61 1.39 0.02 -0.90 -1.58 113.55 114.31 2gqb h SER 115 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 2gqb h SER 115 Cb -0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2gqb h SER 115 CO -0.05 0.04 -0.98 0.29 -1.14 0.00 0.00 176.83 174.98 2gqb n LYS 116 N -3.15 0.36 0.00 3.45 4.01 -0.44 -4.27 118.16 118.13 2gqb n LYS 116 Ca 0.00 0.03 0.00 0.00 -0.51 0.00 0.00 58.31 57.83 2gqb n LYS 116 Cb 0.32 -1.65 0.00 0.00 -0.51 0.00 0.00 35.03 33.19 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 -2.14 0.00 0.19 -0.35 7.94 -0.29 -4.63 117.00 117.73 2gqb n LEU 117 Ca 0.02 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.06 2gqb n LEU 117 Cb 0.46 -0.33 0.59 0.00 0.53 0.00 0.00 43.42 44.68 2gqb n LEU 117 CO 0.40 -0.35 0.91 -0.37 -1.11 0.00 0.00 177.39 176.86 2gqb h VAL 118 N 0.00 0.00 0.00 1.96 -1.51 -1.58 -1.36 116.25 113.77 2gqb h VAL 118 Ca 0.00 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 65.19 2gqb h VAL 118 Cb 0.00 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.24 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 -1.88 1.80 1.54 5.19 0.00 -1.26 -0.64 120.51 125.25 2gqb n ALA 119 Ca 0.01 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.52 2gqb n ALA 119 Cb 0.23 -1.25 0.55 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.39 1.22 0.00 0.00 5.03 -0.51 -4.82 115.26 114.79 2gqb n ASN 120 Ca 0.06 -1.47 0.00 0.00 0.87 0.00 0.00 54.58 54.03 2gqb n ASN 120 Cb 0.15 -0.03 0.00 0.00 -1.02 0.00 0.00 39.78 38.89 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 1.11 1.79 3.72 7.41 0.00 -0.75 -5.03 105.19 113.44 2gqb n GLY 121 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 2.65 -0.11 -0.02 0.00 0.18 -1.06 107.32 106.96 2gqb s GLY 122 Ca 0.00 0.16 -0.11 0.00 0.00 0.00 0.00 44.72 44.77 2gqb s GLY 122 CO 0.00 1.19 0.25 1.25 0.00 0.00 0.00 173.10 175.79 2gqb s LYS 123 N 0.73 3.87 0.03 2.90 2.20 0.33 -4.72 119.74 125.08 2gqb s LYS 123 Ca 0.38 0.05 0.03 0.00 -0.36 0.00 0.00 55.97 56.07 2gqb s LYS 123 Cb -0.18 -3.29 -0.02 0.00 -1.51 0.00 0.00 37.83 32.83 2gqb s LYS 123 CO 0.19 0.55 -0.08 -0.48 -0.36 0.00 0.00 175.35 175.17 2gqb s LEU 124 N -0.46 2.16 0.76 5.43 -0.00 -1.26 -0.96 118.68 124.36 2gqb s LEU 124 Ca 0.17 -0.39 -0.15 0.00 -0.00 0.00 0.00 54.13 53.76 2gqb s LEU 124 Cb -0.13 -0.29 0.05 0.00 -0.00 0.00 0.00 46.19 45.82 2gqb s LEU 124 CO 0.05 -0.07 1.19 -2.65 -0.00 0.00 0.00 176.35 174.87 2gqb n PRO 125 N 2.01 0.43 -0.17 1.48 -0.02 -1.26 -4.84 135.00 132.62 2gqb n PRO 125 Ca -0.19 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2gqb n PRO 125 Cb 0.56 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 2gqb n PRO 125 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2gqb n PRO 126 N -2.79 0.49 0.00 0.52 -0.02 -1.26 -2.39 135.00 129.55 2gqb n PRO 126 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2gqb n PRO 126 Cb 0.50 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 2gqb n PRO 126 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2gqb n GLU 127 N 1.48 2.21 -2.93 -0.52 1.02 -1.26 -4.93 120.64 115.70 2gqb n GLU 127 Ca 0.00 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.70 2gqb n GLU 127 Cb 0.24 -0.91 0.00 0.00 -0.02 0.00 0.00 31.44 30.75 2gqb n GLU 127 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2gqb n ILE 128 N -1.92 4.25 0.00 -3.67 -0.00 -1.00 -4.70 119.36 112.31 2gqb n ILE 128 Ca 0.00 -4.71 0.00 0.00 -0.00 0.00 0.00 62.75 58.04 2gqb n ILE 128 Cb 0.41 -2.46 0.00 0.00 -0.00 0.00 0.00 39.64 37.59 2gqb n ILE 128 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 2gqb n LYS 129 N 5.69 0.00 0.00 0.38 0.00 -1.26 -4.95 118.16 118.01 2gqb n LYS 129 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.68 2gqb n LYS 129 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.46 2gqb n LYS 129 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12