#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gr9 s GLY 0 N 0.00 -0.14 0.00 5.14 0.00 -1.26 -5.03 107.32 106.03 2gr9 s GLY 0 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 44.72 45.26 2gr9 s GLY 0 CO 0.00 0.46 0.00 1.15 0.00 0.00 0.00 173.10 174.71 2gr9 n MET 1 N 2.91 0.00 -2.92 2.90 0.00 -1.26 -5.10 117.12 113.65 2gr9 n MET 1 Ca -0.13 0.00 -0.08 0.00 0.00 0.00 0.00 57.70 57.49 2gr9 n MET 1 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.79 2gr9 n MET 1 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2gr9 n SER 2 N 0.00 -0.85 -3.68 3.17 2.88 -1.26 -4.81 113.62 109.08 2gr9 n SER 2 Ca 0.00 -2.07 -0.10 0.00 -1.33 0.00 0.00 58.87 55.37 2gr9 n SER 2 Cb 0.00 1.55 -0.09 0.00 -0.75 0.00 0.00 64.21 64.92 2gr9 n SER 2 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2gr9 s VAL 3 N -2.63 -0.01 -0.93 2.46 1.01 -1.26 -3.36 120.40 115.67 2gr9 s VAL 3 Ca 0.16 0.05 -0.24 0.00 0.00 0.00 0.00 61.98 61.95 2gr9 s VAL 3 Cb -0.01 -0.75 0.03 0.00 0.00 0.00 0.00 36.38 35.65 2gr9 s VAL 3 CO 0.11 0.02 1.50 -0.83 0.00 0.00 0.00 175.10 175.91 2gr9 s GLY 4 N 1.39 0.99 -1.34 4.51 0.00 -0.75 -4.12 107.32 107.99 2gr9 s GLY 4 Ca -0.09 -1.90 -0.07 0.00 0.00 0.00 0.00 44.72 42.66 2gr9 s GLY 4 CO -0.14 2.82 2.30 0.69 0.00 0.00 0.00 173.10 178.77 2gr9 n PHE 5 N 9.85 2.69 0.20 1.90 3.72 -1.21 -0.44 117.46 134.17 2gr9 n PHE 5 Ca 0.27 -2.84 0.18 0.00 -0.05 0.00 0.00 57.45 55.01 2gr9 n PHE 5 Cb 0.50 -1.94 0.73 0.00 -0.94 0.00 0.00 39.48 37.83 2gr9 n PHE 5 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2gr9 h ILE 6 N 2.98 0.18 -3.28 4.37 1.08 -1.76 -1.98 117.51 119.11 2gr9 h ILE 6 Ca 0.63 0.00 -0.73 0.00 -0.39 0.00 0.00 64.86 64.37 2gr9 h ILE 6 Cb 0.40 0.60 -0.28 0.00 -3.07 0.00 0.00 36.82 34.47 2gr9 h ILE 6 CO 1.56 0.00 -0.37 -0.83 -0.69 0.00 0.00 178.15 177.82 2gr9 s GLY 7 N -3.78 2.04 -0.34 5.37 0.00 -1.24 -4.31 107.32 105.07 2gr9 s GLY 7 Ca -0.04 -2.50 -0.12 0.00 0.00 0.00 0.00 44.72 42.06 2gr9 s GLY 7 CO 0.40 1.11 0.22 0.00 0.00 0.00 0.00 173.10 174.84 2gr9 s ALA 8 N 1.41 3.45 0.00 3.20 0.00 -0.79 -3.74 121.76 125.28 2gr9 s ALA 8 Ca 0.05 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.61 2gr9 s ALA 8 Cb -0.27 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.25 2gr9 s ALA 8 CO 0.00 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.19 2gr9 n GLY 9 N 5.08 -0.43 0.00 0.00 0.00 -1.26 -4.55 105.19 104.03 2gr9 n GLY 9 Ca -0.13 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2gr9 n GLY 9 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2gr9 n GLN 10 N 0.00 0.00 0.09 1.61 3.00 -1.26 -3.21 117.38 117.62 2gr9 n GLN 10 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.08 2gr9 n GLN 10 Cb 0.00 -0.09 0.40 0.00 0.00 0.00 0.00 30.24 30.56 2gr9 n GLN 10 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2gr9 n LEU 11 N 0.00 0.40 0.21 1.08 4.77 -1.26 -2.75 117.00 119.45 2gr9 n LEU 11 Ca 0.00 0.63 -0.08 0.00 -0.03 0.00 0.00 56.01 56.53 2gr9 n LEU 11 Cb 0.00 -0.62 -0.04 0.00 -2.33 0.00 0.00 43.42 40.43 2gr9 n LEU 11 CO 0.00 -0.60 0.46 0.00 -1.33 0.00 0.00 177.39 175.92 2gr9 h ALA 12 N 2.19 -1.04 -1.01 -1.18 0.00 -1.73 0.84 119.26 117.33 2gr9 h ALA 12 Ca 0.00 -0.12 0.23 0.00 0.00 0.00 0.00 54.91 55.02 2gr9 h ALA 12 Cb 0.18 0.21 -0.12 0.00 0.00 0.00 0.00 17.79 18.07 2gr9 h ALA 12 CO 0.00 -1.00 0.60 0.35 0.00 0.00 0.00 179.25 179.20 2gr9 h PHE 13 N -0.59 1.00 0.00 0.00 -0.00 -1.48 1.08 116.94 116.94 2gr9 h PHE 13 Ca -0.06 0.03 0.00 0.00 -0.00 0.00 0.00 57.97 57.95 2gr9 h PHE 13 Cb 0.42 -0.29 0.00 0.00 -0.00 0.00 0.00 35.95 36.08 2gr9 h PHE 13 CO 0.11 0.10 0.00 0.00 -0.00 0.00 0.00 178.31 178.53 2gr9 n ALA 14 N -2.33 -0.32 0.29 2.41 0.00 -1.10 -0.98 120.51 118.49 2gr9 n ALA 14 Ca 0.26 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.87 2gr9 n ALA 14 Cb 0.71 0.00 0.88 0.00 0.00 0.00 0.00 19.45 21.04 2gr9 n ALA 14 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2gr9 h LEU 15 N 0.00 0.00 0.00 0.00 3.38 -0.66 0.26 115.31 118.29 2gr9 h LEU 15 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2gr9 h LEU 15 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2gr9 h LEU 15 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 2gr9 n ALA 16 N -1.97 0.00 0.22 1.53 0.00 0.37 -2.78 120.51 117.89 2gr9 n ALA 16 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.50 2gr9 n ALA 16 Cb 0.12 0.00 0.39 0.00 0.00 0.00 0.00 19.45 19.96 2gr9 n ALA 16 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2gr9 h LYS 17 N 0.00 0.00 -7.46 0.00 3.64 -0.95 -3.39 116.57 108.42 2gr9 h LYS 17 Ca 0.00 0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 58.91 2gr9 h LYS 17 Cb 0.00 0.00 0.12 0.00 -0.41 0.00 0.00 32.23 31.94 2gr9 h LYS 17 CO 0.00 0.00 0.32 0.20 -2.27 0.00 0.00 179.45 177.70 2gr9 s GLY 18 N -3.19 1.60 -0.12 5.01 0.00 0.90 -3.88 107.32 107.63 2gr9 s GLY 18 Ca -0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 44.72 44.32 2gr9 s GLY 18 CO 0.13 0.12 0.03 1.97 0.00 0.00 0.00 173.10 175.34 2gr9 n PHE 19 N -3.58 -0.08 0.00 1.90 1.16 -1.26 -4.78 117.46 110.81 2gr9 n PHE 19 Ca 0.07 0.05 0.00 0.00 -1.87 0.00 0.00 57.45 55.69 2gr9 n PHE 19 Cb 0.58 -0.15 0.00 0.00 -1.61 0.00 0.00 39.48 38.30 2gr9 n PHE 19 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 2gr9 n THR 20 N -0.91 0.00 0.66 1.97 -2.24 -1.25 -3.78 114.28 108.73 2gr9 n THR 20 Ca -0.00 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.87 2gr9 n THR 20 Cb 0.04 0.00 0.42 0.00 -2.10 0.00 0.00 70.33 68.69 2gr9 n THR 20 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gr9 n ALA 21 N -3.00 1.89 -0.06 6.98 0.00 -1.26 -2.58 120.51 122.48 2gr9 n ALA 21 Ca 0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.30 2gr9 n ALA 21 Cb 0.00 -1.32 -0.01 0.00 0.00 0.00 0.00 19.45 18.12 2gr9 n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gr9 h ALA 22 N 2.66 0.21 -1.16 0.00 0.00 -1.89 -3.46 119.26 115.63 2gr9 h ALA 22 Ca 0.00 0.07 0.18 0.00 0.00 0.00 0.00 54.91 55.16 2gr9 h ALA 22 Cb 0.34 0.12 -0.31 0.00 0.00 0.00 0.00 17.79 17.95 2gr9 h ALA 22 CO 0.00 -0.42 0.83 0.20 0.00 0.00 0.00 179.25 179.85 2gr9 s GLY 23 N -2.65 0.23 0.00 0.00 0.00 -1.07 -4.99 107.32 98.85 2gr9 s GLY 23 Ca -0.13 3.26 0.00 0.00 0.00 0.00 0.00 44.72 47.84 2gr9 s GLY 23 CO 0.69 1.76 0.00 -0.62 0.00 0.00 0.00 173.10 174.93 2gr9 n VAL 24 N 1.46 0.00 -2.57 1.40 0.31 -1.26 -4.47 118.33 113.21 2gr9 n VAL 24 Ca -0.09 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.87 2gr9 n VAL 24 Cb 0.57 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.46 2gr9 n VAL 24 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2gr9 s LEU 25 N 0.00 4.23 0.05 7.52 1.43 -1.25 -5.01 118.68 125.65 2gr9 s LEU 25 Ca 0.00 2.04 0.00 0.00 -1.03 0.00 0.00 54.13 55.14 2gr9 s LEU 25 Cb 0.00 -4.08 -0.04 0.00 0.03 0.00 0.00 46.19 42.10 2gr9 s LEU 25 CO 0.00 -0.38 0.18 0.00 0.23 0.00 0.00 176.35 176.37 2gr9 s ALA 26 N -1.58 3.90 0.30 4.21 0.00 -1.26 -4.40 121.76 122.93 2gr9 s ALA 26 Ca 0.55 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 2gr9 s ALA 26 Cb -0.23 -1.76 0.46 0.00 0.00 0.00 0.00 23.12 21.60 2gr9 s ALA 26 CO 0.29 0.79 1.96 0.00 0.00 0.00 0.00 175.76 178.80 2gr9 h ALA 27 N 3.31 1.44 0.00 0.00 0.00 -1.90 -2.98 119.26 119.12 2gr9 h ALA 27 Ca -0.46 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 2gr9 h ALA 27 Cb 1.17 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2gr9 h ALA 27 CO 0.72 0.51 -1.34 0.72 0.00 0.00 0.00 179.25 179.86 2gr9 n HIS 28 N -4.42 0.79 0.69 0.00 8.25 -1.15 -4.13 115.22 115.25 2gr9 n HIS 28 Ca 0.10 0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.80 2gr9 n HIS 28 Cb 0.06 -0.93 0.00 0.00 1.12 0.00 0.00 29.99 30.24 2gr9 n HIS 28 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2gr9 n LYS 29 N -2.68 0.42 -3.74 -0.41 5.02 -1.13 -4.63 118.16 111.02 2gr9 n LYS 29 Ca -0.05 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.11 2gr9 n LYS 29 Cb 0.67 -1.08 -0.10 0.00 -0.02 0.00 0.00 35.03 34.50 2gr9 n LYS 29 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2gr9 s ILE 30 N -1.64 0.02 0.09 -0.18 1.01 -1.26 -4.17 121.20 115.07 2gr9 s ILE 30 Ca 0.00 -0.13 0.06 0.00 0.00 0.00 0.00 60.65 60.58 2gr9 s ILE 30 Cb 0.00 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.85 2gr9 s ILE 30 CO 0.00 -0.07 -0.09 -0.32 0.00 0.00 0.00 174.94 174.46 2gr9 s MET 31 N -0.27 2.22 0.47 2.79 1.75 -1.26 -4.94 119.30 120.07 2gr9 s MET 31 Ca -0.04 -0.97 0.06 0.00 -1.25 0.00 0.00 55.69 53.49 2gr9 s MET 31 Cb -0.03 -2.35 -0.01 0.00 2.84 0.00 0.00 34.83 35.28 2gr9 s MET 31 CO 0.02 0.52 0.32 0.00 -0.65 0.00 0.00 175.02 175.23 2gr9 s ALA 32 N -1.20 4.08 -0.12 4.11 0.00 -1.26 -3.30 121.76 124.06 2gr9 s ALA 32 Ca 0.21 -1.64 -0.05 0.00 0.00 0.00 0.00 51.96 50.49 2gr9 s ALA 32 Cb -0.11 -0.67 0.06 0.00 0.00 0.00 0.00 23.12 22.39 2gr9 s ALA 32 CO 0.14 -0.29 0.26 0.45 0.00 0.00 0.00 175.76 176.31 2gr9 s SER 33 N -4.12 0.03 -0.33 0.00 0.15 -0.74 -3.77 113.70 104.92 2gr9 s SER 33 Ca 0.39 0.57 -0.08 0.00 0.70 0.00 0.00 55.95 57.52 2gr9 s SER 33 Cb -0.01 0.56 0.02 0.00 -1.71 0.00 0.00 66.02 64.88 2gr9 s SER 33 CO 0.23 -0.20 0.13 -0.94 1.20 0.00 0.00 173.24 173.65 2gr9 s SER 34 N 1.82 5.39 0.00 5.45 1.04 0.22 -1.89 113.70 125.73 2gr9 s SER 34 Ca -0.04 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.47 2gr9 s SER 34 Cb -0.11 -1.92 0.00 0.00 0.10 0.00 0.00 66.02 64.08 2gr9 s SER 34 CO -0.09 -0.29 0.72 -0.81 0.98 0.00 0.00 173.24 173.76 2gr9 n PRO 35 N 4.89 0.52 0.00 4.02 -0.04 -1.26 -4.10 135.00 139.03 2gr9 n PRO 35 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2gr9 n PRO 35 Cb 0.46 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 2gr9 n PRO 35 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2gr9 n ASP 36 N 1.13 0.00 0.00 3.54 -0.08 -1.26 -5.05 116.55 114.83 2gr9 n ASP 36 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2gr9 n ASP 36 Cb 0.26 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.72 2gr9 n ASP 36 CO 0.00 0.00 0.00 0.80 0.12 0.00 0.00 177.20 178.12 2gr9 n MET 37 N 0.00 0.00 -0.88 -0.67 0.00 -1.26 -4.76 117.12 109.55 2gr9 n MET 37 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.70 57.42 2gr9 n MET 37 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 33.22 33.22 2gr9 n MET 37 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2gr9 n ASP 38 N 0.00 -2.03 -0.00 6.12 4.64 -1.26 -4.38 116.55 119.64 2gr9 n ASP 38 Ca 0.00 0.54 0.10 0.00 -1.38 0.00 0.00 54.79 54.05 2gr9 n ASP 38 Cb 0.00 -0.60 -0.13 0.00 -1.04 0.00 0.00 41.12 39.35 2gr9 n ASP 38 CO 0.00 0.00 0.00 -0.11 -0.82 0.00 0.00 177.20 176.27 2gr9 n LEU 39 N 1.60 0.61 0.05 -2.67 7.94 -1.26 0.11 117.00 123.38 2gr9 n LEU 39 Ca 0.07 -0.32 -0.16 0.00 -1.11 0.00 0.00 56.01 54.50 2gr9 n LEU 39 Cb 0.28 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.09 2gr9 n LEU 39 CO 0.37 0.15 -0.38 0.00 -1.11 0.00 0.00 177.39 176.42 2gr9 h ALA 40 N 2.55 0.35 0.00 1.96 0.00 -1.92 -3.41 119.26 118.78 2gr9 h ALA 40 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 53.74 2gr9 h ALA 40 Cb 0.66 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2gr9 h ALA 40 CO 0.00 1.21 -0.40 2.41 0.00 0.00 0.00 179.25 182.47 2gr9 n THR 41 N -3.40 0.00 0.20 0.00 -1.04 -1.26 -4.69 114.28 104.08 2gr9 n THR 41 Ca -0.17 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.68 2gr9 n THR 41 Cb 1.04 -0.86 -0.09 0.00 -1.82 0.00 0.00 70.33 68.60 2gr9 n THR 41 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2gr9 h VAL 42 N 0.00 0.00 0.00 12.58 2.07 -1.80 0.71 116.25 129.81 2gr9 h VAL 42 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2gr9 h VAL 42 Cb 0.40 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 2gr9 h VAL 42 CO 0.00 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 176.39 2gr9 n SER 43 N -5.24 0.78 0.00 0.57 7.64 0.29 -1.25 113.62 116.42 2gr9 n SER 43 Ca -0.10 -1.75 0.00 0.00 1.01 0.00 0.00 58.87 58.04 2gr9 n SER 43 Cb 0.40 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 2gr9 n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gr9 n ALA 44 N 0.00 1.54 0.05 -0.43 0.00 0.12 -4.59 120.51 117.20 2gr9 n ALA 44 Ca 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 53.44 53.32 2gr9 n ALA 44 Cb 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.54 2gr9 n ALA 44 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2gr9 h LEU 45 N 0.00 0.00 0.04 0.00 3.38 0.17 -3.29 115.31 115.62 2gr9 h LEU 45 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2gr9 h LEU 45 Cb 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 2gr9 h LEU 45 CO 0.00 0.90 -0.26 0.03 0.09 0.00 0.00 178.44 179.20 2gr9 h ARG 46 N 0.00 -0.41 -2.47 1.13 3.08 -1.72 -2.62 114.38 111.36 2gr9 h ARG 46 Ca -0.09 0.03 -0.21 0.00 0.07 0.00 0.00 59.98 59.77 2gr9 h ARG 46 Cb 1.77 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 31.87 2gr9 h ARG 46 CO 0.10 -0.27 0.52 0.36 -1.07 0.00 0.00 179.97 179.61 2gr9 n LYS 47 N -5.38 1.73 0.00 0.04 2.85 -1.24 -2.93 118.16 113.24 2gr9 n LYS 47 Ca -0.05 -0.95 0.00 0.00 -1.05 0.00 0.00 58.31 56.26 2gr9 n LYS 47 Cb 0.29 -2.02 0.00 0.00 -0.65 0.00 0.00 35.03 32.65 2gr9 n LYS 47 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2gr9 n MET 48 N 2.91 0.00 -2.63 -1.58 2.81 -0.99 -4.95 117.12 112.69 2gr9 n MET 48 Ca 0.37 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 56.14 2gr9 n MET 48 Cb 0.57 -0.35 0.02 0.00 -0.71 0.00 0.00 33.22 32.75 2gr9 n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2gr9 n GLY 49 N 0.00 0.01 1.12 3.03 0.00 -1.15 -4.95 105.19 103.24 2gr9 n GLY 49 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2gr9 n GLY 49 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2gr9 n VAL 50 N -3.95 0.00 -4.10 1.61 0.31 -1.25 -2.92 118.33 108.03 2gr9 n VAL 50 Ca -0.07 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.14 2gr9 n VAL 50 Cb 0.57 -0.32 -0.11 0.00 -0.91 0.00 0.00 33.84 33.07 2gr9 n VAL 50 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2gr9 s LEU 52 N -4.07 2.35 -0.63 7.52 2.01 -1.26 -4.19 118.68 120.42 2gr9 s LEU 52 Ca 0.00 -0.72 -0.28 0.00 0.01 0.00 0.00 54.13 53.14 2gr9 s LEU 52 Cb 0.00 -0.11 0.03 0.00 0.01 0.00 0.00 46.19 46.12 2gr9 s LEU 52 CO 0.00 -0.31 1.25 -0.89 1.01 0.00 0.00 176.35 177.41 2gr9 s THR 53 N -2.23 3.90 -2.00 5.49 2.01 -1.25 -4.81 115.64 116.74 2gr9 s THR 53 Ca -0.02 0.73 0.14 0.00 0.31 0.00 0.00 61.69 62.84 2gr9 s THR 53 Cb -0.04 -4.75 0.40 0.00 0.01 0.00 0.00 72.50 68.11 2gr9 s THR 53 CO -0.02 -1.48 1.34 -0.81 -0.69 0.00 0.00 174.62 172.97 2gr9 n PRO 54 N 8.76 0.73 -3.71 4.92 -0.04 -1.26 0.72 135.00 145.12 2gr9 n PRO 54 Ca 0.07 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.15 2gr9 n PRO 54 Cb 0.49 -1.30 -0.12 0.00 -0.04 0.00 0.00 33.50 32.53 2gr9 n PRO 54 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2gr9 s HIS 55 N -2.00 3.26 0.15 0.54 3.76 -1.26 -4.78 115.29 114.96 2gr9 s HIS 55 Ca 0.21 -1.35 -0.23 0.00 -0.15 0.00 0.00 55.06 53.54 2gr9 s HIS 55 Cb 0.10 -2.38 0.02 0.00 1.11 0.00 0.00 32.58 31.42 2gr9 s HIS 55 CO 0.16 -0.73 1.63 -0.91 -0.85 0.00 0.00 174.74 174.04 2gr9 h ASN 56 N 8.28 -0.79 -0.64 1.40 2.35 -1.90 -2.94 115.58 121.34 2gr9 h ASN 56 Ca -0.23 0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 2gr9 h ASN 56 Cb 1.09 0.36 -0.03 0.00 0.05 0.00 0.00 38.32 39.79 2gr9 h ASN 56 CO 0.63 -0.29 0.34 0.07 -1.65 0.00 0.00 177.43 176.53 2gr9 h LYS 57 N -0.27 0.91 -0.92 0.81 2.10 -1.95 -3.23 116.57 114.02 2gr9 h LYS 57 Ca 0.13 -0.11 0.11 0.00 -2.00 0.00 0.00 60.65 58.78 2gr9 h LYS 57 Cb 0.47 -0.17 -0.13 0.00 -0.90 0.00 0.00 32.23 31.49 2gr9 h LYS 57 CO -0.37 0.70 -0.44 0.39 -2.00 0.00 0.00 179.45 177.73 2gr9 n GLU 58 N -4.52 -0.30 -0.20 0.07 1.02 -1.11 0.15 120.64 115.75 2gr9 n GLU 58 Ca 0.05 1.40 0.30 0.00 -0.02 0.00 0.00 57.16 58.89 2gr9 n GLU 58 Cb 0.10 -2.06 0.66 0.00 -0.02 0.00 0.00 31.44 30.12 2gr9 n GLU 58 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2gr9 h THR 59 N 0.00 0.23 0.00 2.62 2.02 -1.65 0.20 112.91 116.33 2gr9 h THR 59 Ca 0.24 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.36 2gr9 h THR 59 Cb 0.47 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 2gr9 h THR 59 CO -0.89 0.00 -0.30 0.58 0.37 0.00 0.00 175.52 175.28 2gr9 h VAL 60 N 0.00 1.08 0.00 3.16 2.07 -0.48 -3.37 116.25 118.71 2gr9 h VAL 60 Ca 0.46 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.89 2gr9 h VAL 60 Cb 2.25 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.63 2gr9 h VAL 60 CO -0.00 0.30 0.00 0.00 0.02 0.00 0.00 177.57 177.88 2gr9 n GLN 61 N -3.98 0.00 -0.96 1.57 6.02 0.06 -2.33 117.38 117.76 2gr9 n GLN 61 Ca -0.02 0.31 -0.23 0.00 -0.01 0.00 0.00 57.00 57.05 2gr9 n GLN 61 Cb 0.37 -0.87 -0.07 0.00 1.02 0.00 0.00 30.24 30.69 2gr9 n GLN 61 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2gr9 n HIS 62 N -0.68 1.22 -4.36 1.08 8.25 -1.26 -4.87 115.22 114.60 2gr9 n HIS 62 Ca 0.00 -2.07 -0.24 0.00 -0.26 0.00 0.00 57.72 55.15 2gr9 n HIS 62 Cb 0.00 -1.84 -0.12 0.00 1.12 0.00 0.00 29.99 29.15 2gr9 n HIS 62 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2gr9 s SER 63 N 2.52 2.94 0.00 0.41 0.01 -0.98 -4.40 113.70 114.20 2gr9 s SER 63 Ca 0.56 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.98 2gr9 s SER 63 Cb 0.19 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.23 2gr9 s SER 63 CO -0.03 0.04 0.00 0.47 0.41 0.00 0.00 173.24 174.13 2gr9 n ASP 64 N 0.41 1.87 -3.51 2.44 8.00 -1.24 -4.71 116.55 119.81 2gr9 n ASP 64 Ca -0.14 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.27 2gr9 n ASP 64 Cb 0.56 0.36 -0.09 0.00 -0.02 0.00 0.00 41.12 41.93 2gr9 n ASP 64 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2gr9 s VAL 65 N -0.81 -0.63 0.28 2.53 1.01 -1.21 -2.85 120.40 118.71 2gr9 s VAL 65 Ca 0.00 0.07 -0.19 0.00 0.00 0.00 0.00 61.98 61.86 2gr9 s VAL 65 Cb 0.00 -0.73 -0.09 0.00 0.00 0.00 0.00 36.38 35.56 2gr9 s VAL 65 CO 0.00 -0.01 0.76 -0.76 0.00 0.00 0.00 175.10 175.09 2gr9 s LEU 66 N 2.58 4.22 -0.31 3.92 1.43 0.49 -1.81 118.68 129.20 2gr9 s LEU 66 Ca 0.05 1.42 -0.02 0.00 -1.03 0.00 0.00 54.13 54.55 2gr9 s LEU 66 Cb -0.14 -3.85 0.11 0.00 0.03 0.00 0.00 46.19 42.34 2gr9 s LEU 66 CO -0.14 -0.08 0.13 -0.36 0.23 0.00 0.00 176.35 176.13 2gr9 s PHE 67 N -1.73 0.99 -1.23 0.29 0.40 0.42 -0.12 117.98 116.99 2gr9 s PHE 67 Ca 0.49 -1.38 -0.19 0.00 -0.60 0.00 0.00 56.93 55.25 2gr9 s PHE 67 Cb -0.14 -1.27 -0.01 0.00 0.51 0.00 0.00 43.02 42.11 2gr9 s PHE 67 CO 0.19 -0.85 1.89 1.28 0.70 0.00 0.00 175.22 178.44 2gr9 n LEU 68 N 4.87 4.58 -1.06 -0.37 4.77 -1.11 -3.01 117.00 125.67 2gr9 n LEU 68 Ca -0.02 -3.62 -0.02 0.00 -0.03 0.00 0.00 56.01 52.31 2gr9 n LEU 68 Cb 0.41 -1.67 0.04 0.00 -2.33 0.00 0.00 43.42 39.88 2gr9 n LEU 68 CO 0.09 -0.35 0.55 0.00 -1.33 0.00 0.00 177.39 176.35 2gr9 n ALA 69 N 9.74 2.94 -1.84 -1.18 0.00 -1.26 -4.48 120.51 124.43 2gr9 n ALA 69 Ca 0.48 -0.45 -0.29 0.00 0.00 0.00 0.00 53.44 53.19 2gr9 n ALA 69 Cb 0.45 -1.06 0.13 0.00 0.00 0.00 0.00 19.45 18.96 2gr9 n ALA 69 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2gr9 s VAL 70 N -0.81 1.99 0.80 0.00 1.01 -1.26 -4.27 120.40 117.86 2gr9 s VAL 70 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.96 2gr9 s VAL 70 Cb 0.08 -2.96 0.18 0.00 0.00 0.00 0.00 36.38 33.69 2gr9 s VAL 70 CO 0.02 0.00 0.41 0.29 0.00 0.00 0.00 175.10 175.83 2gr9 n LYS 71 N -3.54 -2.28 0.11 2.72 4.01 -1.26 -4.77 118.16 113.15 2gr9 n LYS 71 Ca 0.10 -0.70 0.04 0.00 -0.51 0.00 0.00 58.31 57.24 2gr9 n LYS 71 Cb 0.60 -1.09 0.45 0.00 -0.51 0.00 0.00 35.03 34.49 2gr9 n LYS 71 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 2gr9 h PRO 72 N 0.00 0.30 -2.00 1.97 0.13 -1.97 -3.26 132.00 127.16 2gr9 h PRO 72 Ca -0.19 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2gr9 h PRO 72 Cb 0.63 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.71 2gr9 h PRO 72 CO 0.11 0.29 -0.01 -2.39 -0.23 0.00 0.00 178.00 175.78 2gr9 n HIS 73 N -4.40 0.00 0.17 1.56 1.44 -1.26 -4.43 115.22 108.29 2gr9 n HIS 73 Ca 0.00 -0.91 0.02 0.00 -2.01 0.00 0.00 57.72 54.82 2gr9 n HIS 73 Cb 0.16 -0.50 0.09 0.00 0.12 0.00 0.00 29.99 29.86 2gr9 n HIS 73 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 2gr9 n ILE 74 N 1.57 0.76 0.00 0.61 5.41 -1.23 -3.69 119.36 122.79 2gr9 n ILE 74 Ca 0.01 0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.95 2gr9 n ILE 74 Cb 0.46 -1.14 0.00 0.00 -0.71 0.00 0.00 39.64 38.25 2gr9 n ILE 74 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2gr9 n ILE 75 N -1.21 0.00 0.00 1.39 -0.00 -1.26 -2.46 119.36 115.82 2gr9 n ILE 75 Ca 0.02 1.10 0.00 0.00 -0.00 0.00 0.00 62.75 63.87 2gr9 n ILE 75 Cb 0.02 -2.10 0.00 0.00 -0.00 0.00 0.00 39.64 37.56 2gr9 n ILE 75 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 2gr9 n PRO 76 N -1.99 0.00 0.00 0.38 -0.02 -1.24 -3.59 135.00 128.55 2gr9 n PRO 76 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2gr9 n PRO 76 Cb 0.00 -0.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.97 2gr9 n PRO 76 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2gr9 n PHE 77 N -0.40 0.00 0.00 6.00 3.01 -1.26 -3.34 117.46 121.47 2gr9 n PHE 77 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2gr9 n PHE 77 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 2gr9 n PHE 77 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2gr9 n ILE 78 N -0.45 0.00 0.20 4.37 -0.00 -1.26 -4.78 119.36 117.43 2gr9 n ILE 78 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 62.75 62.81 2gr9 n ILE 78 Cb 0.00 -0.55 0.33 0.00 -0.00 0.00 0.00 39.64 39.42 2gr9 n ILE 78 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 2gr9 h LEU 79 N 0.00 0.00 0.00 1.39 3.38 -1.54 0.73 115.31 119.28 2gr9 h LEU 79 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2gr9 h LEU 79 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2gr9 h LEU 79 CO 0.00 0.00 -0.52 0.44 0.09 0.00 0.00 178.44 178.45 2gr9 h ASP 80 N 0.00 0.00 -0.34 -0.43 3.32 -1.76 -3.11 116.42 114.09 2gr9 h ASP 80 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2gr9 h ASP 80 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 2gr9 h ASP 80 CO 0.00 0.12 0.00 -0.62 -1.72 0.00 0.00 179.24 177.02 2gr9 n GLU 81 N -2.96 3.45 0.00 3.56 4.71 0.25 -4.44 120.64 125.21 2gr9 n GLU 81 Ca 0.01 -2.93 0.00 0.00 -0.01 0.00 0.00 57.16 54.23 2gr9 n GLU 81 Cb 0.59 -1.96 0.00 0.00 -1.01 0.00 0.00 31.44 29.07 2gr9 n GLU 81 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 2gr9 n ILE 82 N -0.20 0.00 0.34 -3.67 2.08 -1.22 -4.72 119.36 111.96 2gr9 n ILE 82 Ca 0.23 0.00 -0.18 0.00 0.56 0.00 0.00 62.75 63.36 2gr9 n ILE 82 Cb 0.97 -0.60 -0.09 0.00 -0.75 0.00 0.00 39.64 39.17 2gr9 n ILE 82 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 2gr9 h GLY 83 N 0.00 -1.27 1.26 7.39 0.00 -1.75 -1.86 103.07 106.83 2gr9 h GLY 83 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.88 2gr9 h GLY 83 CO 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 176.54 176.15 2gr9 n ALA 84 N -2.74 1.22 -2.66 3.60 0.00 -1.26 -1.51 120.51 117.16 2gr9 n ALA 84 Ca -0.13 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.13 2gr9 n ALA 84 Cb 0.46 -0.93 0.01 0.00 0.00 0.00 0.00 19.45 18.99 2gr9 n ALA 84 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2gr9 n ASP 85 N -1.14 2.95 -3.79 0.00 8.00 -0.71 -5.06 116.55 116.79 2gr9 n ASP 85 Ca 0.00 -3.22 -0.14 0.00 0.71 0.00 0.00 54.79 52.14 2gr9 n ASP 85 Cb 0.01 -0.51 -0.15 0.00 -0.02 0.00 0.00 41.12 40.45 2gr9 n ASP 85 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2gr9 s ILE 86 N -4.14 -0.04 0.00 0.53 1.01 -0.57 -4.91 121.20 113.08 2gr9 s ILE 86 Ca 0.38 0.14 0.00 0.00 0.00 0.00 0.00 60.65 61.17 2gr9 s ILE 86 Cb 0.41 -0.14 0.00 0.00 0.01 0.00 0.00 42.46 42.74 2gr9 s ILE 86 CO -0.08 0.06 0.00 -0.62 0.00 0.00 0.00 174.94 174.30 2gr9 n GLU 87 N 3.84 1.60 -0.12 2.79 1.02 -1.26 -4.94 120.64 123.56 2gr9 n GLU 87 Ca -0.23 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 56.97 2gr9 n GLU 87 Cb 0.53 0.00 0.19 0.00 -0.02 0.00 0.00 31.44 32.15 2gr9 n GLU 87 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2gr9 n ASP 88 N -0.98 1.46 -1.36 1.62 10.43 -1.26 -3.91 116.55 122.55 2gr9 n ASP 88 Ca 0.00 -1.92 0.05 0.00 2.57 0.00 0.00 54.79 55.49 2gr9 n ASP 88 Cb 0.00 -0.16 0.26 0.00 1.84 0.00 0.00 41.12 43.06 2gr9 n ASP 88 CO 0.00 0.00 0.00 -2.11 -1.07 0.00 0.00 177.20 174.02 2gr9 n ARG 89 N 0.27 3.40 -3.58 -1.24 -4.01 -1.26 -4.85 116.66 105.39 2gr9 n ARG 89 Ca 0.11 -2.03 -0.01 0.00 -1.04 0.00 0.00 57.85 54.88 2gr9 n ARG 89 Cb 0.25 -1.94 -0.06 0.00 -3.04 0.00 0.00 32.46 27.67 2gr9 n ARG 89 CO 0.00 0.00 0.00 -3.38 -3.04 0.00 0.00 177.63 171.21 2gr9 s HIS 90 N -2.07 -0.61 -0.16 2.89 -3.43 -1.23 -3.79 115.29 106.90 2gr9 s HIS 90 Ca 0.35 1.16 -0.13 0.00 -0.80 0.00 0.00 55.06 55.64 2gr9 s HIS 90 Cb 0.26 0.36 -0.05 0.00 -1.43 0.00 0.00 32.58 31.73 2gr9 s HIS 90 CO 0.12 -0.30 0.27 0.42 -2.00 0.00 0.00 174.74 173.24 2gr9 s ILE 91 N 1.65 5.32 0.08 -5.38 1.09 -1.13 -4.73 121.20 118.10 2gr9 s ILE 91 Ca -0.07 0.50 -0.20 0.00 -1.10 0.00 0.00 60.65 59.77 2gr9 s ILE 91 Cb -0.04 -3.60 -0.07 0.00 -1.06 0.00 0.00 42.46 37.69 2gr9 s ILE 91 CO -0.16 0.41 0.59 -0.69 -0.10 0.00 0.00 174.94 175.00 2gr9 s VAL 92 N 0.33 4.70 -0.30 2.92 1.01 -0.85 0.19 120.40 128.39 2gr9 s VAL 92 Ca 0.16 1.27 0.01 0.00 0.00 0.00 0.00 61.98 63.41 2gr9 s VAL 92 Cb -0.13 -3.92 0.09 0.00 0.00 0.00 0.00 36.38 32.42 2gr9 s VAL 92 CO 0.03 0.55 0.05 -0.69 0.00 0.00 0.00 175.10 175.05 2gr9 s VAL 93 N -1.10 1.47 -0.51 2.92 1.01 0.83 -1.60 120.40 123.42 2gr9 s VAL 93 Ca 0.30 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.60 2gr9 s VAL 93 Cb -0.20 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.15 2gr9 s VAL 93 CO 0.20 -0.53 0.28 -1.54 0.00 0.00 0.00 175.10 173.50 2gr9 n SER 94 N 4.61 0.74 -4.52 3.32 3.41 0.14 -2.73 113.62 118.59 2gr9 n SER 94 Ca -0.02 -0.75 -0.16 0.00 -0.26 0.00 0.00 58.87 57.69 2gr9 n SER 94 Cb 0.42 -0.19 -0.12 0.00 -0.26 0.00 0.00 64.21 64.06 2gr9 n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gr9 s ALA 96 N 9.58 -2.18 0.00 0.00 0.00 -1.24 -4.45 121.76 123.47 2gr9 s ALA 96 Ca 1.01 1.72 0.00 0.00 0.00 0.00 0.00 51.96 54.70 2gr9 s ALA 96 Cb -0.36 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.07 2gr9 s ALA 96 CO 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 175.76 175.87 2gr9 n ALA 97 N 1.52 0.00 -2.07 0.00 0.00 -1.26 -3.46 120.51 115.24 2gr9 n ALA 97 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.99 2gr9 n ALA 97 Cb 0.57 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.05 2gr9 n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gr9 n GLY 98 N 0.00 5.71 3.64 0.00 0.00 -1.26 -4.98 105.19 108.30 2gr9 n GLY 98 Ca 0.00 -2.57 -0.38 0.00 0.00 0.00 0.00 46.02 43.07 2gr9 n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gr9 s VAL 99 N -5.20 5.24 0.99 1.61 1.01 -1.22 -4.04 120.40 118.78 2gr9 s VAL 99 Ca 0.51 0.49 -0.16 0.00 0.00 0.00 0.00 61.98 62.82 2gr9 s VAL 99 Cb 0.43 -3.64 0.20 0.00 0.00 0.00 0.00 36.38 33.36 2gr9 s VAL 99 CO -0.32 0.25 1.24 -0.89 0.00 0.00 0.00 175.10 175.38 2gr9 s THR 100 N 1.51 1.92 0.07 3.92 2.01 -1.26 -4.94 115.64 118.87 2gr9 s THR 100 Ca 0.14 0.00 -0.13 0.00 0.31 0.00 0.00 61.69 62.01 2gr9 s THR 100 Cb -0.15 -2.87 -0.25 0.00 0.01 0.00 0.00 72.50 69.25 2gr9 s THR 100 CO 0.08 0.00 1.17 0.16 -0.69 0.00 0.00 174.62 175.34 2gr9 h ILE 101 N -1.75 1.29 -0.15 1.82 3.07 -1.97 -3.18 117.51 116.65 2gr9 h ILE 101 Ca -0.45 -2.35 0.00 0.00 1.55 0.00 0.00 64.86 63.61 2gr9 h ILE 101 Cb 1.27 2.50 0.00 0.00 -0.27 0.00 0.00 36.82 40.31 2gr9 h ILE 101 CO 0.43 0.72 0.00 -1.20 -1.05 0.00 0.00 178.15 177.05 2gr9 n SER 102 N -3.82 1.73 -0.01 2.16 7.64 -1.26 0.09 113.62 120.15 2gr9 n SER 102 Ca -0.11 -2.15 0.09 0.00 1.01 0.00 0.00 58.87 57.71 2gr9 n SER 102 Cb 0.92 -0.39 -0.14 0.00 -1.01 0.00 0.00 64.21 63.58 2gr9 n SER 102 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2gr9 n SER 103 N 0.11 0.74 -0.00 6.43 7.64 -1.20 -4.25 113.62 123.09 2gr9 n SER 103 Ca 0.06 -0.11 0.01 0.00 1.01 0.00 0.00 58.87 59.84 2gr9 n SER 103 Cb 0.36 1.75 -0.01 0.00 -1.01 0.00 0.00 64.21 65.31 2gr9 n SER 103 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2gr9 n ILE 104 N -2.06 0.00 1.05 0.44 5.41 -1.11 -4.51 119.36 118.58 2gr9 n ILE 104 Ca -0.03 -0.17 0.10 0.00 1.00 0.00 0.00 62.75 63.66 2gr9 n ILE 104 Cb 0.46 0.63 0.54 0.00 -0.71 0.00 0.00 39.64 40.57 2gr9 n ILE 104 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2gr9 n GLU 105 N -1.39 0.37 -2.33 0.38 4.07 0.11 -2.07 120.64 119.79 2gr9 n GLU 105 Ca -0.00 0.07 -0.04 0.00 -0.06 0.00 0.00 57.16 57.13 2gr9 n GLU 105 Cb 0.03 -1.50 0.05 0.00 -0.06 0.00 0.00 31.44 29.96 2gr9 n GLU 105 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2gr9 n LYS 106 N -1.23 1.84 0.00 5.31 5.02 -1.26 -4.30 118.16 123.54 2gr9 n LYS 106 Ca 0.11 -3.40 0.00 0.00 -2.02 0.00 0.00 58.31 53.00 2gr9 n LYS 106 Cb 0.15 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 2gr9 n LYS 106 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2gr9 n LYS 107 N -0.48 0.00 0.00 1.97 5.02 -1.10 -4.82 118.16 118.75 2gr9 n LYS 107 Ca 0.15 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.57 2gr9 n LYS 107 Cb 0.88 -0.12 0.24 0.00 -0.02 0.00 0.00 35.03 36.01 2gr9 n LYS 107 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2gr9 n LEU 108 N -2.20 1.90 -1.45 -0.35 4.77 -0.88 -3.79 117.00 115.00 2gr9 n LEU 108 Ca 0.00 -0.64 -0.05 0.00 -0.03 0.00 0.00 56.01 55.30 2gr9 n LEU 108 Cb 0.00 -0.03 0.23 0.00 -2.33 0.00 0.00 43.42 41.29 2gr9 n LEU 108 CO 0.00 0.33 0.87 -1.20 -1.33 0.00 0.00 177.39 176.06 2gr9 n SER 109 N 0.21 3.50 0.00 -1.43 7.64 -1.26 -3.71 113.62 118.57 2gr9 n SER 109 Ca 0.13 -3.46 0.00 0.00 1.01 0.00 0.00 58.87 56.55 2gr9 n SER 109 Cb 0.45 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 2gr9 n SER 109 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gr9 n ALA 110 N -0.79 1.25 0.02 -0.43 0.00 -1.25 -4.59 120.51 114.73 2gr9 n ALA 110 Ca 0.36 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.92 2gr9 n ALA 110 Cb 1.18 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.88 2gr9 n ALA 110 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2gr9 n PHE 111 N -0.94 0.66 -3.61 0.00 3.01 -1.25 -4.96 117.46 110.37 2gr9 n PHE 111 Ca 0.00 -0.35 -0.05 0.00 1.01 0.00 0.00 57.45 58.06 2gr9 n PHE 111 Cb 0.00 -0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.43 2gr9 n PHE 111 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 2gr9 s ARG 112 N -1.25 0.28 0.00 -1.08 6.06 -1.24 -4.32 118.95 117.40 2gr9 s ARG 112 Ca 0.41 -0.00 0.00 0.00 -2.50 0.00 0.00 55.73 53.64 2gr9 s ARG 112 Cb 0.23 0.13 0.00 0.00 0.06 0.00 0.00 34.95 35.37 2gr9 s ARG 112 CO 0.31 -0.10 0.29 -2.30 -2.50 0.00 0.00 175.30 170.99 2gr9 n PRO 113 N 0.35 0.00 -3.50 5.12 -0.02 -1.26 -4.39 135.00 131.29 2gr9 n PRO 113 Ca -0.02 0.21 -0.25 0.00 -2.02 0.00 0.00 63.50 61.42 2gr9 n PRO 113 Cb 0.58 -0.79 -0.13 0.00 -0.02 0.00 0.00 33.50 33.14 2gr9 n PRO 113 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gr9 s ALA 114 N -2.71 0.23 1.14 3.55 0.00 -1.26 -4.76 121.76 117.95 2gr9 s ALA 114 Ca 0.00 -0.73 -0.17 0.00 0.00 0.00 0.00 51.96 51.05 2gr9 s ALA 114 Cb 0.00 -1.49 0.25 0.00 0.00 0.00 0.00 23.12 21.88 2gr9 s ALA 114 CO 0.00 -1.62 1.05 -0.35 0.00 0.00 0.00 175.76 174.85 2gr9 n PRO 115 N 5.27 -2.30 -3.58 0.00 -0.04 -1.26 -5.02 135.00 128.07 2gr9 n PRO 115 Ca -0.05 -1.66 -0.40 0.00 -0.04 0.00 0.00 63.50 61.35 2gr9 n PRO 115 Cb 0.44 -1.38 -0.07 0.00 -0.04 0.00 0.00 33.50 32.45 2gr9 n PRO 115 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2gr9 s ARG 116 N -5.35 2.97 -0.30 0.54 0.52 -1.26 -4.94 118.95 111.13 2gr9 s ARG 116 Ca 0.65 -2.56 -0.13 0.00 -0.52 0.00 0.00 55.73 53.17 2gr9 s ARG 116 Cb -0.05 -3.99 -0.03 0.00 0.52 0.00 0.00 34.95 31.41 2gr9 s ARG 116 CO 0.48 -1.22 0.29 0.08 0.02 0.00 0.00 175.30 174.95 2gr9 s VAL 117 N -0.07 5.23 -0.22 3.52 1.01 -1.26 -2.00 120.40 126.60 2gr9 s VAL 117 Ca 0.18 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.38 2gr9 s VAL 117 Cb -0.16 -3.67 0.05 0.00 0.00 0.00 0.00 36.38 32.60 2gr9 s VAL 117 CO -0.06 0.11 -0.09 -0.63 0.00 0.00 0.00 175.10 174.43 2gr9 s ILE 118 N 1.91 1.75 0.42 2.22 -1.09 -0.63 -4.30 121.20 121.48 2gr9 s ILE 118 Ca 0.10 -1.22 -0.20 0.00 -2.23 0.00 0.00 60.65 57.10 2gr9 s ILE 118 Cb -0.16 -1.88 -0.11 0.00 -1.58 0.00 0.00 42.46 38.73 2gr9 s ILE 118 CO 0.11 0.05 0.93 -0.60 -1.23 0.00 0.00 174.94 174.20 2gr9 s ARG 119 N 1.32 4.20 -0.20 2.79 3.52 -1.25 -0.69 118.95 128.65 2gr9 s ARG 119 Ca -0.04 1.07 -0.19 0.00 -0.13 0.00 0.00 55.73 56.44 2gr9 s ARG 119 Cb -0.18 -2.20 0.05 0.00 -1.56 0.00 0.00 34.95 31.06 2gr9 s ARG 119 CO -0.07 -0.01 0.54 0.00 -0.81 0.00 0.00 175.30 174.95 2gr9 s MET 121 N 0.21 1.92 0.00 0.00 1.75 -0.60 -3.59 119.30 118.99 2gr9 s MET 121 Ca -0.01 -0.58 0.00 0.00 -1.25 0.00 0.00 55.69 53.86 2gr9 s MET 121 Cb -0.04 -1.60 0.00 0.00 2.84 0.00 0.00 34.83 36.03 2gr9 s MET 121 CO 0.01 0.16 0.00 0.25 -0.65 0.00 0.00 175.02 174.79 2gr9 n THR 122 N 3.43 0.00 -3.93 10.11 -2.24 -1.26 -1.13 114.28 119.25 2gr9 n THR 122 Ca -0.20 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.50 2gr9 n THR 122 Cb 0.53 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 2gr9 n THR 122 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2gr9 s ASN 123 N 1.00 -0.17 0.20 3.42 2.20 -1.26 -4.60 114.94 115.74 2gr9 s ASN 123 Ca 0.00 -0.78 -0.11 0.00 -0.94 0.00 0.00 52.86 51.03 2gr9 s ASN 123 Cb 0.00 0.66 0.14 0.00 -2.00 0.00 0.00 41.25 40.05 2gr9 s ASN 123 CO 0.00 -1.24 1.85 0.74 -2.94 0.00 0.00 177.10 175.51 2gr9 h THR 124 N 2.13 1.20 0.00 0.54 2.02 -1.94 -3.02 112.91 113.84 2gr9 h THR 124 Ca -0.23 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.53 2gr9 h THR 124 Cb 1.25 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 2gr9 h THR 124 CO 0.30 0.20 0.00 -0.81 0.37 0.00 0.00 175.52 175.58 2gr9 n PRO 125 N -4.54 0.00 -0.19 6.66 -0.04 -1.26 -0.57 135.00 135.06 2gr9 n PRO 125 Ca 0.06 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.42 2gr9 n PRO 125 Cb 0.04 -1.34 0.01 0.00 -0.04 0.00 0.00 33.50 32.17 2gr9 n PRO 125 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2gr9 h VAL 126 N 0.00 1.27 -0.72 0.52 2.07 -1.81 -0.00 116.25 117.58 2gr9 h VAL 126 Ca 0.00 -1.23 0.21 0.00 0.82 0.00 0.00 66.70 66.49 2gr9 h VAL 126 Cb 0.00 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2gr9 h VAL 126 CO 0.00 0.44 1.04 0.58 0.02 0.00 0.00 177.57 179.65 2gr9 h VAL 127 N 0.89 0.05 0.00 2.57 2.07 -1.00 -1.63 116.25 119.19 2gr9 h VAL 127 Ca 0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.66 2gr9 h VAL 127 Cb 0.65 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2gr9 h VAL 127 CO 0.04 0.00 -0.42 0.52 0.02 0.00 0.00 177.57 177.73 2gr9 n VAL 128 N -3.15 0.64 0.00 2.57 0.31 -0.93 -4.64 118.33 113.13 2gr9 n VAL 128 Ca 0.16 0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.84 2gr9 n VAL 128 Cb 1.26 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 2gr9 n VAL 128 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2gr9 n ARG 129 N -3.33 0.00 -0.68 5.55 0.00 -0.61 -4.99 116.66 112.59 2gr9 n ARG 129 Ca -0.06 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.80 2gr9 n ARG 129 Cb 0.22 0.00 0.26 0.00 0.00 0.00 0.00 32.46 32.94 2gr9 n ARG 129 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2gr9 n GLU 130 N 0.00 3.42 -1.04 -0.14 -0.58 -1.02 -1.78 120.64 119.49 2gr9 n GLU 130 Ca 0.00 -2.22 -0.29 0.00 -0.42 0.00 0.00 57.16 54.24 2gr9 n GLU 130 Cb 0.00 -2.01 0.19 0.00 -0.57 0.00 0.00 31.44 29.05 2gr9 n GLU 130 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2gr9 s GLY 131 N -0.56 1.57 -0.05 0.62 0.00 -0.06 -4.75 107.32 104.08 2gr9 s GLY 131 Ca 0.39 -0.26 -0.01 0.00 0.00 0.00 0.00 44.72 44.84 2gr9 s GLY 131 CO 0.11 0.35 0.02 0.00 0.00 0.00 0.00 173.10 173.57 2gr9 s ALA 132 N -2.85 0.49 0.08 3.20 0.00 -1.26 -3.13 121.76 118.27 2gr9 s ALA 132 Ca 0.66 0.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.63 2gr9 s ALA 132 Cb -0.20 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 2gr9 s ALA 132 CO 0.59 -0.36 0.01 -0.08 0.00 0.00 0.00 175.76 175.92 2gr9 s THR 133 N 1.77 0.18 0.09 0.00 -1.32 0.31 -4.05 115.64 112.62 2gr9 s THR 133 Ca 0.01 -1.80 0.03 0.00 -1.21 0.00 0.00 61.69 58.72 2gr9 s THR 133 Cb -0.13 -1.66 -0.04 0.00 -1.51 0.00 0.00 72.50 69.17 2gr9 s THR 133 CO -0.04 -0.83 -0.09 -0.69 -2.21 0.00 0.00 174.62 170.77 2gr9 s VAL 134 N -3.95 0.84 0.15 5.08 1.01 -0.28 -3.87 120.40 119.38 2gr9 s VAL 134 Ca 0.12 -1.66 0.04 0.00 0.00 0.00 0.00 61.98 60.47 2gr9 s VAL 134 Cb 0.08 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 2gr9 s VAL 134 CO -0.07 -0.62 -0.08 -0.72 0.00 0.00 0.00 175.10 173.61 2gr9 s TYR 135 N -2.65 1.27 0.04 5.22 -0.85 -1.22 -1.56 117.35 117.61 2gr9 s TYR 135 Ca 0.06 -0.80 0.00 0.00 -0.52 0.00 0.00 57.07 55.81 2gr9 s TYR 135 Cb -0.01 -0.67 -0.03 0.00 0.38 0.00 0.00 41.96 41.63 2gr9 s TYR 135 CO -0.01 0.04 -0.04 0.00 -1.52 0.00 0.00 175.55 174.02 2gr9 s ALA 136 N -3.37 0.43 0.00 9.51 0.00 -0.85 -4.04 121.76 123.43 2gr9 s ALA 136 Ca 0.18 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.22 2gr9 s ALA 136 Cb 0.03 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.33 2gr9 s ALA 136 CO 0.01 -0.22 0.00 2.41 0.00 0.00 0.00 175.76 177.96 2gr9 n THR 137 N 0.86 0.00 -0.23 0.00 -1.04 -1.26 -3.82 114.28 108.79 2gr9 n THR 137 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 2gr9 n THR 137 Cb 0.58 -0.44 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 2gr9 n THR 137 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2gr9 n GLY 138 N 0.72 -0.52 3.55 3.41 0.00 -1.26 -4.25 105.19 106.85 2gr9 n GLY 138 Ca 0.00 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 45.11 2gr9 n GLY 138 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2gr9 n THR 139 N 0.27 -4.45 -0.27 2.61 -1.04 -1.26 -4.19 114.28 105.96 2gr9 n THR 139 Ca 0.00 -0.28 0.02 0.00 -2.04 0.00 0.00 64.05 61.76 2gr9 n THR 139 Cb 0.00 -4.36 -0.01 0.00 -1.82 0.00 0.00 70.33 64.15 2gr9 n THR 139 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2gr9 n HIS 140 N -4.52 -0.43 0.00 -1.42 -0.00 -1.26 -4.78 115.22 102.81 2gr9 n HIS 140 Ca -0.16 0.22 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 2gr9 n HIS 140 Cb 0.62 -0.39 0.00 0.00 -0.00 0.00 0.00 29.99 30.22 2gr9 n HIS 140 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2gr9 n ALA 141 N -1.04 0.00 -1.00 -1.41 0.00 -1.26 -4.56 120.51 111.24 2gr9 n ALA 141 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2gr9 n ALA 141 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2gr9 n ALA 141 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2gr9 n GLN 142 N 0.00 2.80 0.00 0.00 7.27 -1.26 -3.55 117.38 122.64 2gr9 n GLN 142 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2gr9 n GLN 142 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 2gr9 n GLN 142 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2gr9 n VAL 143 N -0.18 0.00 -1.00 1.69 0.31 -1.26 -1.81 118.33 116.08 2gr9 n VAL 143 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.40 2gr9 n VAL 143 Cb 0.00 0.00 0.29 0.00 -0.91 0.00 0.00 33.84 33.22 2gr9 n VAL 143 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2gr9 n GLU 144 N 7.63 3.30 0.00 5.55 -0.58 -1.26 -4.07 120.64 131.20 2gr9 n GLU 144 Ca 0.00 -2.93 0.08 0.00 -0.42 0.00 0.00 57.16 53.89 2gr9 n GLU 144 Cb 0.00 -1.94 -0.09 0.00 -0.57 0.00 0.00 31.44 28.84 2gr9 n GLU 144 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2gr9 n ASP 145 N -0.31 0.93 -0.13 1.62 2.03 -0.75 -3.84 116.55 116.10 2gr9 n ASP 145 Ca 0.24 -0.96 -0.28 0.00 0.52 0.00 0.00 54.79 54.30 2gr9 n ASP 145 Cb 0.97 0.94 -0.10 0.00 -0.72 0.00 0.00 41.12 42.21 2gr9 n ASP 145 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2gr9 n GLY 146 N 1.39 -0.48 0.00 0.27 0.00 -1.23 -4.16 105.19 100.98 2gr9 n GLY 146 Ca 0.04 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 45.97 2gr9 n GLY 146 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2gr9 n ARG 147 N -4.17 0.03 0.00 1.61 3.00 -1.26 -0.98 116.66 114.89 2gr9 n ARG 147 Ca -0.52 0.35 0.13 0.00 -0.00 0.00 0.00 57.85 57.81 2gr9 n ARG 147 Cb 0.88 -1.50 0.65 0.00 0.00 0.00 0.00 32.46 32.50 2gr9 n ARG 147 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2gr9 n LEU 148 N -1.43 0.00 -0.13 6.15 7.94 -1.25 -3.28 117.00 125.00 2gr9 n LEU 148 Ca 0.02 0.35 -0.22 0.00 -1.11 0.00 0.00 56.01 55.05 2gr9 n LEU 148 Cb 0.06 -0.35 -0.11 0.00 0.53 0.00 0.00 43.42 43.55 2gr9 n LEU 148 CO 0.05 -0.03 -1.34 0.23 -1.11 0.00 0.00 177.39 175.20 2gr9 n MET 149 N -1.35 0.64 0.29 1.96 2.81 -0.15 -3.95 117.12 117.36 2gr9 n MET 149 Ca 0.11 0.20 0.18 0.00 -1.81 0.00 0.00 57.70 56.38 2gr9 n MET 149 Cb 0.25 -1.53 0.98 0.00 -0.71 0.00 0.00 33.22 32.21 2gr9 n MET 149 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 2gr9 h GLU 150 N -0.31 0.00 0.19 0.03 4.81 -1.65 -0.94 114.58 116.69 2gr9 h GLU 150 Ca -0.61 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.62 2gr9 h GLU 150 Cb 1.81 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.19 2gr9 h GLU 150 CO -0.18 0.00 -0.09 1.96 -0.73 0.00 0.00 179.01 179.97 2gr9 h GLN 151 N 0.00 -0.24 0.00 1.92 4.20 -1.72 0.19 115.11 119.46 2gr9 h GLN 151 Ca 0.02 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 2gr9 h GLN 151 Cb 0.18 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 2gr9 h GLN 151 CO -0.00 0.16 -0.08 1.25 -0.67 0.00 0.00 178.83 179.49 2gr9 h LEU 152 N -0.88 0.00 0.00 1.46 5.85 -1.46 -3.34 115.31 116.95 2gr9 h LEU 152 Ca -0.03 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.34 2gr9 h LEU 152 Cb 0.51 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 2gr9 h LEU 152 CO 0.04 0.08 -2.16 0.18 -0.34 0.00 0.00 178.44 176.24 2gr9 n LEU 153 N -4.16 1.84 0.00 2.25 4.77 -0.44 -4.44 117.00 116.82 2gr9 n LEU 153 Ca -0.03 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 2gr9 n LEU 153 Cb 0.16 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 2gr9 n LEU 153 CO 0.33 0.38 0.11 -0.24 -1.33 0.00 0.00 177.39 176.63 2gr9 n SER 154 N -4.21 0.00 -0.09 -1.43 2.88 0.06 0.15 113.62 110.98 2gr9 n SER 154 Ca -0.44 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.03 2gr9 n SER 154 Cb 0.79 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 64.09 2gr9 n SER 154 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2gr9 n SER 155 N -0.65 0.04 -1.18 -3.46 3.41 -1.25 -4.29 113.62 106.24 2gr9 n SER 155 Ca 0.00 0.02 0.08 0.00 -0.26 0.00 0.00 58.87 58.71 2gr9 n SER 155 Cb 0.00 1.07 0.30 0.00 -0.26 0.00 0.00 64.21 65.32 2gr9 n SER 155 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2gr9 n VAL 156 N -2.70 2.35 0.00 -3.33 0.31 0.40 -4.99 118.33 110.36 2gr9 n VAL 156 Ca -0.29 -1.70 0.00 0.00 -0.01 0.00 0.00 64.34 62.35 2gr9 n VAL 156 Cb 1.08 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 33.80 2gr9 n VAL 156 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2gr9 n GLY 157 N -0.11 -1.06 3.62 2.92 0.00 -0.74 -3.94 105.19 105.88 2gr9 n GLY 157 Ca 0.23 0.71 -0.02 0.00 0.00 0.00 0.00 46.02 46.93 2gr9 n GLY 157 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gr9 s PHE 158 N 0.00 -0.66 0.38 1.61 5.36 -1.18 -4.81 117.98 118.67 2gr9 s PHE 158 Ca 0.00 1.29 0.05 0.00 -0.96 0.00 0.00 56.93 57.32 2gr9 s PHE 158 Cb 0.00 0.40 -0.02 0.00 -0.34 0.00 0.00 43.02 43.05 2gr9 s PHE 158 CO 0.00 -0.33 0.19 0.00 -1.46 0.00 0.00 175.22 173.63 2gr9 n THR 160 N -0.81 0.00 -3.88 0.00 -1.04 -1.26 -5.03 114.28 102.27 2gr9 n THR 160 Ca -0.01 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.91 2gr9 n THR 160 Cb 0.64 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 69.07 2gr9 n THR 160 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2gr9 s GLU 161 N -1.88 0.76 -0.15 -2.82 -1.05 -1.26 -3.38 118.70 108.92 2gr9 s GLU 161 Ca 0.00 -0.88 -0.29 0.00 -0.15 0.00 0.00 54.97 53.65 2gr9 s GLU 161 Cb 0.00 0.30 0.10 0.00 -0.44 0.00 0.00 34.13 34.09 2gr9 s GLU 161 CO 0.00 -0.22 0.84 0.08 0.95 0.00 0.00 175.26 176.90 2gr9 s VAL 162 N -3.41 0.00 0.01 1.83 1.01 -1.26 -5.04 120.40 113.54 2gr9 s VAL 162 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.90 2gr9 s VAL 162 Cb 0.03 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 2gr9 s VAL 162 CO -0.08 0.00 0.25 -1.84 0.00 0.00 0.00 175.10 173.42 2gr9 n GLU 163 N 1.26 0.00 -0.56 2.72 0.28 -1.26 -4.69 120.64 118.38 2gr9 n GLU 163 Ca -0.15 0.00 0.46 0.00 -0.16 0.00 0.00 57.16 57.32 2gr9 n GLU 163 Cb 0.57 -0.36 0.79 0.00 1.43 0.00 0.00 31.44 33.87 2gr9 n GLU 163 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2gr9 h GLU 164 N 0.67 0.01 -0.84 3.44 4.81 -1.96 -0.09 114.58 120.61 2gr9 h GLU 164 Ca -0.12 -0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.24 2gr9 h GLU 164 Cb 0.36 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.68 2gr9 h GLU 164 CO 0.16 0.00 0.55 0.38 -0.73 0.00 0.00 179.01 179.37 2gr9 h ASP 165 N 0.01 0.63 0.45 1.04 3.04 -2.03 0.21 116.42 119.76 2gr9 h ASP 165 Ca 0.80 0.03 -0.04 0.00 -3.24 0.00 0.00 57.03 54.59 2gr9 h ASP 165 Cb 3.19 -0.10 -0.01 0.00 -1.04 0.00 0.00 39.33 41.38 2gr9 h ASP 165 CO -0.03 0.34 -0.18 -0.07 -2.04 0.00 0.00 179.24 177.25 2gr9 h LEU 166 N 0.67 0.00 -0.86 0.15 3.38 -1.28 -2.87 115.31 114.50 2gr9 h LEU 166 Ca 0.41 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.53 2gr9 h LEU 166 Cb 0.64 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.29 2gr9 h LEU 166 CO -0.17 0.18 0.45 0.40 0.09 0.00 0.00 178.44 179.39 2gr9 h ILE 167 N 0.00 0.73 -0.96 1.22 2.04 -0.71 0.68 117.51 120.51 2gr9 h ILE 167 Ca -0.00 -0.22 0.08 0.00 1.00 0.00 0.00 64.86 65.72 2gr9 h ILE 167 Cb 0.46 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 36.50 2gr9 h ILE 167 CO 0.02 0.12 0.61 0.44 0.00 0.00 0.00 178.15 179.34 2gr9 h ASP 168 N 0.64 0.95 0.20 1.72 3.32 -1.60 -2.13 116.42 119.51 2gr9 h ASP 168 Ca 0.47 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.54 2gr9 h ASP 168 Cb 0.67 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.05 2gr9 h ASP 168 CO -0.36 0.58 -0.09 0.00 -1.72 0.00 0.00 179.24 177.64 2gr9 h ALA 169 N 1.46 -0.48 -0.62 3.45 0.00 -0.39 -3.17 119.26 119.51 2gr9 h ALA 169 Ca 0.43 -0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.46 2gr9 h ALA 169 Cb 0.24 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2gr9 h ALA 169 CO -0.20 -0.46 1.01 0.28 0.00 0.00 0.00 179.25 179.89 2gr9 n VAL 170 N -3.48 0.00 -0.01 0.00 0.31 0.19 0.66 118.33 115.99 2gr9 n VAL 170 Ca -0.03 1.03 -0.04 0.00 -0.01 0.00 0.00 64.34 65.29 2gr9 n VAL 170 Cb 0.10 -1.91 -0.03 0.00 -0.91 0.00 0.00 33.84 31.09 2gr9 n VAL 170 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2gr9 h THR 171 N 0.00 0.36 0.00 2.52 2.02 -1.39 -2.20 112.91 114.22 2gr9 h THR 171 Ca 0.29 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 66.31 2gr9 h THR 171 Cb 2.32 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 2gr9 h THR 171 CO -0.00 0.11 0.38 1.23 0.37 0.00 0.00 175.52 177.61 2gr9 h GLY 172 N -1.01 0.00 0.00 2.16 0.00 0.25 0.35 103.07 104.82 2gr9 h GLY 172 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2gr9 h GLY 172 CO 0.02 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 176.46 2gr9 n LEU 173 N -2.42 0.00 0.27 3.11 7.94 -0.89 -4.03 117.00 120.98 2gr9 n LEU 173 Ca -0.01 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.00 2gr9 n LEU 173 Cb 0.41 0.00 0.73 0.00 0.53 0.00 0.00 43.42 45.09 2gr9 n LEU 173 CO 0.08 0.00 1.02 0.77 -1.11 0.00 0.00 177.39 178.16 2gr9 h SER 174 N 0.00 0.00 0.50 1.96 4.64 -1.50 0.71 113.55 119.86 2gr9 h SER 174 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2gr9 h SER 174 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2gr9 h SER 174 CO 0.00 0.08 -0.26 1.23 -0.87 0.00 0.00 176.83 177.01 2gr9 h GLY 175 N 0.38 -0.73 1.05 -0.77 0.00 0.19 -3.29 103.07 99.90 2gr9 h GLY 175 Ca -0.00 0.28 -0.32 0.00 0.00 0.00 0.00 47.33 47.29 2gr9 h GLY 175 CO 0.01 -0.27 -1.67 1.76 0.00 0.00 0.00 176.54 176.37 2gr9 h SER 176 N -0.70 0.35 0.00 0.19 0.02 -0.89 -3.40 113.55 109.11 2gr9 h SER 176 Ca -0.07 -0.56 0.00 0.00 -0.84 0.00 0.00 61.79 60.32 2gr9 h SER 176 Cb 0.55 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.98 2gr9 h SER 176 CO 0.10 1.48 0.00 0.61 -1.14 0.00 0.00 176.83 177.88 2gr9 n GLY 177 N 1.73 0.00 0.53 -3.77 0.00 0.24 0.28 105.19 104.20 2gr9 n GLY 177 Ca -0.20 0.00 0.40 0.00 0.00 0.00 0.00 46.02 46.22 2gr9 n GLY 177 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2gr9 h PRO 178 N 0.00 0.07 -0.03 1.61 0.11 -1.79 0.48 132.00 132.45 2gr9 h PRO 178 Ca 0.00 -0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.86 2gr9 h PRO 178 Cb 0.00 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.11 2gr9 h PRO 178 CO 0.00 0.04 -0.97 0.00 -0.21 0.00 0.00 178.00 176.86 2gr9 h ALA 179 N 1.43 0.22 0.17 -0.75 0.00 0.36 -1.97 119.26 118.73 2gr9 h ALA 179 Ca 0.81 -0.68 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2gr9 h ALA 179 Cb 2.79 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 20.58 2gr9 h ALA 179 CO -0.26 0.71 -0.23 1.88 0.00 0.00 0.00 179.25 181.35 2gr9 h TYR 180 N 0.39 -0.61 -0.71 0.00 0.99 -0.07 -2.82 116.97 114.15 2gr9 h TYR 180 Ca -0.10 0.01 0.06 0.00 2.00 0.00 0.00 58.73 60.70 2gr9 h TYR 180 Cb 1.61 0.25 -0.06 0.00 1.00 0.00 0.00 36.73 39.53 2gr9 h TYR 180 CO 0.09 -0.33 0.40 0.00 -0.00 0.00 0.00 178.16 178.32 2gr9 h ALA 181 N 0.28 0.96 0.00 3.88 0.00 -1.35 0.34 119.26 123.37 2gr9 h ALA 181 Ca 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2gr9 h ALA 181 Cb 0.45 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2gr9 h ALA 181 CO -0.09 0.09 -0.00 0.74 0.00 0.00 0.00 179.25 179.98 2gr9 h PHE 182 N 0.73 0.00 0.00 0.00 0.05 -1.16 0.39 116.94 116.95 2gr9 h PHE 182 Ca 0.32 0.00 -0.16 0.00 3.82 0.00 0.00 57.97 61.95 2gr9 h PHE 182 Cb 0.20 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.12 2gr9 h PHE 182 CO -0.07 0.00 -0.99 1.15 -0.18 0.00 0.00 178.31 178.22 2gr9 h THR 183 N 0.00 0.73 -1.09 -1.55 2.02 -0.90 -2.96 112.91 109.17 2gr9 h THR 183 Ca -0.00 -1.89 0.30 0.00 0.77 0.00 0.00 66.41 65.59 2gr9 h THR 183 Cb 0.04 1.72 -0.08 0.00 -1.74 0.00 0.00 68.15 68.09 2gr9 h THR 183 CO 0.00 0.25 0.73 0.00 0.37 0.00 0.00 175.52 176.86 2gr9 h ALA 184 N -0.59 2.52 -3.00 6.16 0.00 0.48 -1.28 119.26 123.54 2gr9 h ALA 184 Ca -0.24 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2gr9 h ALA 184 Cb 1.08 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2gr9 h ALA 184 CO -0.15 -0.92 0.00 1.28 0.00 0.00 0.00 179.25 179.47 2gr9 n LEU 185 N -4.49 2.06 -0.15 0.00 4.77 0.13 -2.45 117.00 116.86 2gr9 n LEU 185 Ca 0.26 0.15 0.13 0.00 -0.03 0.00 0.00 56.01 56.51 2gr9 n LEU 185 Cb 1.01 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 42.31 2gr9 n LEU 185 CO 0.30 0.00 0.39 -0.67 -1.33 0.00 0.00 177.39 176.08 2gr9 n ASP 186 N -0.49 0.06 0.00 -1.43 -0.08 -1.12 0.77 116.55 114.26 2gr9 n ASP 186 Ca 0.00 0.43 0.00 0.00 -1.51 0.00 0.00 54.79 53.71 2gr9 n ASP 186 Cb 0.00 -0.21 0.00 0.00 2.34 0.00 0.00 41.12 43.25 2gr9 n ASP 186 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2gr9 n ALA 187 N -2.56 -0.30 -0.37 -1.67 0.00 -0.50 -3.60 120.51 111.50 2gr9 n ALA 187 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.54 2gr9 n ALA 187 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.96 2gr9 n ALA 187 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2gr9 n LEU 188 N -1.79 -0.69 -0.77 0.00 4.77 0.23 0.60 117.00 119.34 2gr9 n LEU 188 Ca 0.00 1.65 0.00 0.00 -0.03 0.00 0.00 56.01 57.63 2gr9 n LEU 188 Cb 0.00 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 2gr9 n LEU 188 CO 0.00 -1.45 0.04 0.00 -1.33 0.00 0.00 177.39 174.65 2gr9 n ALA 189 N -3.46 1.40 0.00 -1.18 0.00 -0.73 0.04 120.51 116.58 2gr9 n ALA 189 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2gr9 n ALA 189 Cb 0.35 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.80 2gr9 n ALA 189 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2gr9 n ASP 190 N 0.72 0.54 0.39 0.00 8.00 0.20 -4.39 116.55 122.00 2gr9 n ASP 190 Ca 0.00 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.31 2gr9 n ASP 190 Cb 0.04 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.04 2gr9 n ASP 190 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2gr9 h GLY 191 N 0.00 -1.24 -0.20 0.44 0.00 0.11 0.70 103.07 102.87 2gr9 h GLY 191 Ca 0.00 0.52 0.18 0.00 0.00 0.00 0.00 47.33 48.03 2gr9 h GLY 191 CO 0.00 -0.42 0.17 -1.33 0.00 0.00 0.00 176.54 174.96 2gr9 h GLY 192 N -1.11 1.09 1.58 4.60 0.00 -0.97 0.85 103.07 109.11 2gr9 h GLY 192 Ca -0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 2gr9 h GLY 192 CO 0.07 -0.25 0.03 -2.08 0.00 0.00 0.00 176.54 174.31 2gr9 h VAL 193 N 0.24 1.19 0.62 4.60 2.07 -1.49 -2.05 116.25 121.43 2gr9 h VAL 193 Ca 0.45 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 2gr9 h VAL 193 Cb 0.81 0.89 0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2gr9 h VAL 193 CO -0.57 0.25 -0.30 0.50 0.02 0.00 0.00 177.57 177.47 2gr9 h LYS 194 N 0.51 -0.80 0.00 1.57 3.64 0.69 -2.14 116.57 120.03 2gr9 h LYS 194 Ca 0.11 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2gr9 h LYS 194 Cb 0.28 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2gr9 h LYS 194 CO 0.01 -0.52 0.00 -1.33 -2.27 0.00 0.00 179.45 175.34 2gr9 n MET 195 N -5.43 0.00 0.00 1.90 2.81 0.24 -4.83 117.12 111.81 2gr9 n MET 195 Ca -0.13 0.43 0.00 0.00 -1.81 0.00 0.00 57.70 56.19 2gr9 n MET 195 Cb 0.35 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 2gr9 n MET 195 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2gr9 n GLY 196 N -1.32 4.31 3.46 3.03 0.00 -0.80 -5.08 105.19 108.78 2gr9 n GLY 196 Ca 0.00 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 2gr9 n GLY 196 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2gr9 n LEU 197 N 0.00 0.72 -4.86 0.99 4.77 -0.91 -4.90 117.00 112.81 2gr9 n LEU 197 Ca 0.00 0.66 -0.29 0.00 -0.03 0.00 0.00 56.01 56.34 2gr9 n LEU 197 Cb 0.00 -1.19 0.15 0.00 -2.33 0.00 0.00 43.42 40.05 2gr9 n LEU 197 CO 0.00 -3.12 0.80 -2.16 -1.33 0.00 0.00 177.39 171.58 2gr9 s PRO 198 N -2.42 0.94 0.00 3.23 0.04 -1.26 -4.05 135.00 131.47 2gr9 s PRO 198 Ca 0.67 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.61 2gr9 s PRO 198 Cb -0.39 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.30 2gr9 s PRO 198 CO 0.56 -2.26 0.47 -2.13 0.04 0.00 0.00 177.00 173.68 2gr9 n ARG 199 N -3.73 0.00 -0.35 4.56 3.00 -1.26 -2.30 116.66 116.57 2gr9 n ARG 199 Ca 0.11 0.08 0.06 0.00 -0.00 0.00 0.00 57.85 58.10 2gr9 n ARG 199 Cb 0.60 -0.97 0.13 0.00 0.00 0.00 0.00 32.46 32.22 2gr9 n ARG 199 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2gr9 n ARG 200 N -0.55 -0.09 -0.33 -0.14 0.63 -1.26 -0.03 116.66 114.89 2gr9 n ARG 200 Ca 0.00 1.53 0.04 0.00 -0.92 0.00 0.00 57.85 58.50 2gr9 n ARG 200 Cb 0.00 -2.29 0.19 0.00 0.45 0.00 0.00 32.46 30.82 2gr9 n ARG 200 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2gr9 h LEU 201 N 0.00 0.80 -0.14 6.15 5.85 -1.96 -2.22 115.31 123.80 2gr9 h LEU 201 Ca 0.47 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 59.23 2gr9 h LEU 201 Cb 0.71 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 2gr9 h LEU 201 CO -1.01 0.45 0.08 0.00 -0.34 0.00 0.00 178.44 177.62 2gr9 h ALA 202 N 1.49 0.18 0.05 1.25 0.00 -0.02 -2.26 119.26 119.93 2gr9 h ALA 202 Ca 0.44 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.33 2gr9 h ALA 202 Cb 0.39 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2gr9 h ALA 202 CO -0.25 -0.30 -0.23 0.28 0.00 0.00 0.00 179.25 178.76 2gr9 h VAL 203 N 0.14 0.48 -0.06 0.00 2.07 -1.15 -0.41 116.25 117.31 2gr9 h VAL 203 Ca 0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.59 2gr9 h VAL 203 Cb 0.05 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 2gr9 h VAL 203 CO -0.01 0.00 -0.33 0.03 0.02 0.00 0.00 177.57 177.28 2gr9 h ARG 204 N -0.38 -0.36 -0.83 1.57 2.47 -1.34 0.49 114.38 116.00 2gr9 h ARG 204 Ca 0.05 0.02 0.13 0.00 -1.26 0.00 0.00 59.98 58.92 2gr9 h ARG 204 Cb 0.44 0.08 -0.09 0.00 -1.65 0.00 0.00 29.97 28.75 2gr9 h ARG 204 CO -0.17 -0.24 0.43 -0.07 0.56 0.00 0.00 179.97 180.48 2gr9 h LEU 205 N -0.37 0.53 0.34 3.04 3.38 -1.35 0.47 115.31 121.35 2gr9 h LEU 205 Ca 0.02 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2gr9 h LEU 205 Cb 0.42 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2gr9 h LEU 205 CO -0.25 0.25 -0.17 1.23 0.09 0.00 0.00 178.44 179.59 2gr9 h GLY 206 N 0.64 -0.48 0.03 0.83 0.00 -0.33 0.20 103.07 103.96 2gr9 h GLY 206 Ca 0.44 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.95 2gr9 h GLY 206 CO -0.34 -0.18 -0.06 0.00 0.00 0.00 0.00 176.54 175.97 2gr9 h ALA 207 N 0.20 -0.67 -1.00 3.60 0.00 0.95 -1.89 119.26 120.46 2gr9 h ALA 207 Ca -0.04 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.04 2gr9 h ALA 207 Cb 0.36 0.44 -0.19 0.00 0.00 0.00 0.00 17.79 18.40 2gr9 h ALA 207 CO 0.07 -0.68 -0.26 0.37 0.00 0.00 0.00 179.25 178.75 2gr9 h GLN 208 N -0.10 -0.00 -0.74 0.00 5.75 -0.03 0.77 115.11 120.76 2gr9 h GLN 208 Ca -0.00 0.00 0.12 0.00 -0.15 0.00 0.00 58.65 58.62 2gr9 h GLN 208 Cb 0.09 0.00 -0.09 0.00 1.07 0.00 0.00 27.48 28.56 2gr9 h GLN 208 CO -0.03 -0.00 0.33 0.00 -2.65 0.00 0.00 178.83 176.48 2gr9 h ALA 209 N 1.93 1.04 0.38 3.38 0.00 -0.30 0.81 119.26 126.51 2gr9 h ALA 209 Ca 0.46 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.45 2gr9 h ALA 209 Cb 0.71 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2gr9 h ALA 209 CO -1.02 -0.15 -0.18 -0.07 0.00 0.00 0.00 179.25 177.83 2gr9 h LEU 210 N 0.51 -0.43 -0.97 0.00 3.38 0.12 -1.54 115.31 116.37 2gr9 h LEU 210 Ca 0.39 -0.14 0.20 0.00 0.09 0.00 0.00 57.88 58.43 2gr9 h LEU 210 Cb 0.54 0.11 -0.18 0.00 0.09 0.00 0.00 40.66 41.21 2gr9 h LEU 210 CO -0.35 -0.03 -0.21 0.25 0.09 0.00 0.00 178.44 178.18 2gr9 h LEU 211 N -0.91 -0.85 0.23 1.67 7.12 0.11 -1.30 115.31 121.38 2gr9 h LEU 211 Ca -0.05 0.29 -0.01 0.00 0.13 0.00 0.00 57.88 58.24 2gr9 h LEU 211 Cb 0.54 0.59 -0.00 0.00 -0.53 0.00 0.00 40.66 41.26 2gr9 h LEU 211 CO 0.09 -0.32 -0.14 1.23 -0.13 0.00 0.00 178.44 179.16 2gr9 h GLY 212 N 0.00 -0.60 -0.95 3.75 0.00 0.75 -2.86 103.07 103.17 2gr9 h GLY 212 Ca 0.48 0.25 0.12 0.00 0.00 0.00 0.00 47.33 48.18 2gr9 h GLY 212 CO -0.99 -0.21 -0.46 0.00 0.00 0.00 0.00 176.54 174.88 2gr9 n ALA 213 N -2.29 -0.34 -0.01 3.60 0.00 -0.57 -0.22 120.51 120.69 2gr9 n ALA 213 Ca -0.04 0.88 -0.02 0.00 0.00 0.00 0.00 53.44 54.26 2gr9 n ALA 213 Cb 0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 19.45 19.29 2gr9 n ALA 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gr9 h ALA 214 N 0.93 -0.44 -0.88 0.00 0.00 -1.40 1.27 119.26 118.74 2gr9 h ALA 214 Ca 0.25 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.31 2gr9 h ALA 214 Cb 0.49 0.69 -0.16 0.00 0.00 0.00 0.00 17.79 18.81 2gr9 h ALA 214 CO -0.92 -0.47 -0.29 -0.22 0.00 0.00 0.00 179.25 177.35 2gr9 h LYS 215 N -0.07 -0.03 -0.35 0.00 3.64 -1.10 1.64 116.57 120.31 2gr9 h LYS 215 Ca 0.01 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 2gr9 h LYS 215 Cb 0.09 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 2gr9 h LYS 215 CO -0.07 -0.02 0.11 1.98 -2.27 0.00 0.00 179.45 179.18 2gr9 h MET 216 N -0.03 0.24 -0.43 1.90 4.05 0.76 -1.93 114.93 119.50 2gr9 h MET 216 Ca 0.37 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.77 2gr9 h MET 216 Cb 0.62 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.35 2gr9 h MET 216 CO -0.91 0.16 0.24 1.25 0.23 0.00 0.00 176.91 177.88 2gr9 h LEU 217 N 0.25 0.53 0.11 3.39 5.85 1.17 -0.94 115.31 125.67 2gr9 h LEU 217 Ca 0.16 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 2gr9 h LEU 217 Cb 0.15 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2gr9 h LEU 217 CO -0.18 0.46 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.19 2gr9 h LEU 218 N 0.56 -0.34 -0.59 2.25 3.38 0.12 -2.86 115.31 117.82 2gr9 h LEU 218 Ca 0.15 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.16 2gr9 h LEU 218 Cb 0.04 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2gr9 h LEU 218 CO -0.03 -0.16 0.38 0.45 0.09 0.00 0.00 178.44 179.18 2gr9 h HIS 219 N -0.23 0.72 0.00 1.13 3.86 -1.43 -3.34 115.15 115.86 2gr9 h HIS 219 Ca -0.01 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2gr9 h HIS 219 Cb 0.21 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.43 2gr9 h HIS 219 CO -0.13 0.44 0.00 0.43 0.86 0.00 0.00 177.93 179.53 2gr9 n SER 220 N -4.70 0.00 0.00 2.45 7.64 -0.36 -4.98 113.62 113.68 2gr9 n SER 220 Ca 0.05 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.53 2gr9 n SER 220 Cb 0.04 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 2gr9 n SER 220 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2gr9 n GLU 221 N -1.08 0.00 0.00 1.43 2.13 -1.08 -5.01 120.64 117.02 2gr9 n GLU 221 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2gr9 n GLU 221 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2gr9 n GLU 221 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2gr9 n GLN 222 N 0.00 0.00 0.00 5.31 1.13 -1.26 -4.48 117.38 118.08 2gr9 n GLN 222 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2gr9 n GLN 222 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 2gr9 n GLN 222 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 2gr9 n HIS 223 N 0.00 0.00 -0.29 1.08 -0.00 -1.26 -4.77 115.22 109.99 2gr9 n HIS 223 Ca 0.00 0.00 0.33 0.00 -0.00 0.00 0.00 57.72 58.05 2gr9 n HIS 223 Cb 0.00 0.00 0.74 0.00 -0.00 0.00 0.00 29.99 30.73 2gr9 n HIS 223 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2gr9 h PRO 224 N 0.00 0.00 0.61 1.57 0.11 -1.96 0.90 132.00 133.24 2gr9 h PRO 224 Ca 0.00 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 2gr9 h PRO 224 Cb 0.00 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.12 2gr9 h PRO 224 CO 0.00 0.00 -0.29 0.78 -0.21 0.00 0.00 178.00 178.28 2gr9 h GLY 225 N 0.00 -0.86 -0.25 -0.55 0.00 -1.96 -2.62 103.07 96.83 2gr9 h GLY 225 Ca 0.53 0.32 0.03 0.00 0.00 0.00 0.00 47.33 48.21 2gr9 h GLY 225 CO -0.01 -0.31 -0.30 -1.61 0.00 0.00 0.00 176.54 174.31 2gr9 h GLN 226 N -1.07 -0.18 -0.45 4.80 5.75 -1.14 0.40 115.11 123.22 2gr9 h GLN 226 Ca -0.08 0.01 0.13 0.00 -0.15 0.00 0.00 58.65 58.56 2gr9 h GLN 226 Cb 0.68 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.25 2gr9 h GLN 226 CO 0.14 -0.12 0.68 -0.07 -2.65 0.00 0.00 178.83 176.80 2gr9 h LEU 227 N -0.19 0.00 -0.07 -2.39 3.38 -1.44 0.40 115.31 115.00 2gr9 h LEU 227 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2gr9 h LEU 227 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2gr9 h LEU 227 CO -0.33 0.00 -0.08 0.50 0.09 0.00 0.00 178.44 178.62 2gr9 h LYS 228 N 0.00 0.17 -0.13 1.13 3.64 0.17 -3.17 116.57 118.38 2gr9 h LYS 228 Ca 0.21 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2gr9 h LYS 228 Cb 1.56 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.38 2gr9 h LYS 228 CO -0.00 0.63 0.07 -0.44 -2.27 0.00 0.00 179.45 177.44 2gr9 h ASP 229 N -0.28 0.10 0.00 4.20 5.19 0.34 -1.67 116.42 124.30 2gr9 h ASP 229 Ca 0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2gr9 h ASP 229 Cb 0.61 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.10 2gr9 h ASP 229 CO 0.02 0.08 0.00 0.59 -3.12 0.00 0.00 179.24 176.81 2gr9 n ASN 230 N -5.03 0.00 0.00 6.45 4.13 -0.32 -0.22 115.26 120.28 2gr9 n ASN 230 Ca -0.04 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.22 2gr9 n ASN 230 Cb 0.04 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.28 2gr9 n ASN 230 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2gr9 n VAL 231 N -0.82 0.06 -3.40 2.41 0.31 -0.66 -5.00 118.33 111.23 2gr9 n VAL 231 Ca 0.00 -0.21 -0.44 0.00 -0.01 0.00 0.00 64.34 63.68 2gr9 n VAL 231 Cb 0.00 1.51 -0.07 0.00 -0.91 0.00 0.00 33.84 34.37 2gr9 n VAL 231 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2gr9 s SER 232 N -0.06 6.05 -0.16 4.52 0.01 0.70 -4.79 113.70 119.97 2gr9 s SER 232 Ca 0.00 -1.58 -0.24 0.00 1.31 0.00 0.00 55.95 55.45 2gr9 s SER 232 Cb 0.00 -2.15 -0.02 0.00 0.21 0.00 0.00 66.02 64.06 2gr9 s SER 232 CO 0.00 -0.71 0.76 -0.94 0.41 0.00 0.00 173.24 172.76 2gr9 s SER 233 N 2.91 6.89 0.15 2.44 1.04 -1.26 -4.91 113.70 120.95 2gr9 s SER 233 Ca 0.04 1.09 0.05 0.00 0.48 0.00 0.00 55.95 57.61 2gr9 s SER 233 Cb -0.26 -2.42 0.46 0.00 0.10 0.00 0.00 66.02 63.89 2gr9 s SER 233 CO 0.04 -0.33 0.70 -2.65 0.98 0.00 0.00 173.24 171.98 2gr9 n PRO 234 N 5.00 -0.03 0.00 4.02 -0.02 -1.26 -0.57 135.00 142.13 2gr9 n PRO 234 Ca 0.02 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2gr9 n PRO 234 Cb 0.49 -1.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.89 2gr9 n PRO 234 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gr9 n GLY 235 N -1.17 -3.48 0.00 -1.23 0.00 -1.26 -4.99 105.19 93.06 2gr9 n GLY 235 Ca 0.13 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.77 2gr9 n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gr9 n GLY 236 N -0.91 -0.24 4.97 -0.02 0.00 0.26 -4.90 105.19 104.35 2gr9 n GLY 236 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2gr9 n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gr9 n ALA 237 N -0.26 0.00 -0.62 4.61 0.00 -1.26 -3.96 120.51 119.02 2gr9 n ALA 237 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2gr9 n ALA 237 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2gr9 n ALA 237 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2gr9 n THR 238 N 0.00 0.00 0.13 0.00 -1.04 -1.26 -3.44 114.28 108.66 2gr9 n THR 238 Ca 0.00 0.19 0.12 0.00 -2.04 0.00 0.00 64.05 62.32 2gr9 n THR 238 Cb 0.00 -1.02 0.27 0.00 -1.82 0.00 0.00 70.33 67.76 2gr9 n THR 238 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 2gr9 h ILE 239 N 0.00 0.02 0.13 12.58 6.09 -1.86 1.37 117.51 135.84 2gr9 h ILE 239 Ca 0.00 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.48 2gr9 h ILE 239 Cb 0.00 0.10 0.00 0.00 0.47 0.00 0.00 36.82 37.39 2gr9 h ILE 239 CO 0.00 0.00 -0.06 0.45 -3.07 0.00 0.00 178.15 175.47 2gr9 h HIS 240 N 0.00 -0.16 -0.95 2.19 3.86 -1.81 -2.72 115.15 115.56 2gr9 h HIS 240 Ca 0.18 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2gr9 h HIS 240 Cb 2.15 0.05 -0.05 0.00 1.06 0.00 0.00 27.41 30.63 2gr9 h HIS 240 CO 0.00 0.32 0.61 0.00 0.86 0.00 0.00 177.93 179.72 2gr9 h ALA 241 N -0.18 1.21 -0.28 2.45 0.00 0.17 -1.76 119.26 120.88 2gr9 h ALA 241 Ca -0.02 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.88 2gr9 h ALA 241 Cb 0.55 -0.39 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 2gr9 h ALA 241 CO 0.03 0.63 -0.28 -0.07 0.00 0.00 0.00 179.25 179.55 2gr9 h LEU 242 N 1.30 -0.92 -1.20 0.00 3.38 -1.10 0.38 115.31 117.15 2gr9 h LEU 242 Ca 0.35 0.16 0.28 0.00 0.09 0.00 0.00 57.88 58.76 2gr9 h LEU 242 Cb -0.11 0.43 -0.11 0.00 0.09 0.00 0.00 40.66 40.95 2gr9 h LEU 242 CO -0.07 -0.31 0.65 -0.74 0.09 0.00 0.00 178.44 178.06 2gr9 h HIS 243 N -0.28 0.80 -0.57 1.13 2.76 -1.00 0.37 115.15 118.37 2gr9 h HIS 243 Ca 0.14 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.26 2gr9 h HIS 243 Cb 0.51 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.22 2gr9 h HIS 243 CO -0.45 0.01 0.04 -0.24 -1.30 0.00 0.00 177.93 175.99 2gr9 h VAL 244 N 0.42 1.25 0.24 5.26 3.04 0.13 -2.48 116.25 124.11 2gr9 h VAL 244 Ca 0.65 -1.04 -0.01 0.00 -1.01 0.00 0.00 66.70 65.28 2gr9 h VAL 244 Cb 1.53 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 31.59 2gr9 h VAL 244 CO -0.41 0.38 -0.12 -0.07 -1.01 0.00 0.00 177.57 176.34 2gr9 h LEU 245 N 0.89 -0.28 -0.04 3.16 3.38 0.58 -2.93 115.31 120.06 2gr9 h LEU 245 Ca 0.17 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2gr9 h LEU 245 Cb 0.47 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2gr9 h LEU 245 CO 0.02 0.23 0.28 -0.62 0.09 0.00 0.00 178.44 178.44 2gr9 n GLU 246 N -4.99 0.00 -0.02 1.13 -0.58 0.79 0.24 120.64 117.22 2gr9 n GLU 246 Ca -0.07 0.25 -0.13 0.00 -0.42 0.00 0.00 57.16 56.79 2gr9 n GLU 246 Cb 0.22 -1.80 -0.14 0.00 -0.57 0.00 0.00 31.44 29.16 2gr9 n GLU 246 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2gr9 n SER 247 N -1.27 1.24 -1.83 1.62 7.64 -0.94 -3.77 113.62 116.30 2gr9 n SER 247 Ca -0.00 0.31 -0.13 0.00 1.01 0.00 0.00 58.87 60.06 2gr9 n SER 247 Cb 0.28 -0.26 0.17 0.00 -1.01 0.00 0.00 64.21 63.39 2gr9 n SER 247 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gr9 n GLY 248 N 1.72 3.59 4.08 0.23 0.00 0.14 -4.88 105.19 110.08 2gr9 n GLY 248 Ca -0.23 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.69 2gr9 n GLY 248 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gr9 n GLY 249 N -0.48 -0.39 0.33 -0.02 0.00 -1.14 -4.82 105.19 98.66 2gr9 n GLY 249 Ca 0.39 0.15 0.20 0.00 0.00 0.00 0.00 46.02 46.76 2gr9 n GLY 249 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2gr9 h PHE 250 N -1.72 0.73 0.59 1.61 3.57 -1.78 -1.19 116.94 118.75 2gr9 h PHE 250 Ca -0.60 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 60.91 2gr9 h PHE 250 Cb 1.38 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 39.96 2gr9 h PHE 250 CO 0.58 -0.18 -0.29 0.00 -2.23 0.00 0.00 178.31 176.20 2gr9 h ARG 251 N 0.30 -0.77 -0.57 1.11 3.08 -1.87 -3.13 114.38 112.52 2gr9 h ARG 251 Ca 0.67 0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.87 2gr9 h ARG 251 Cb 1.45 0.17 -0.10 0.00 0.08 0.00 0.00 29.97 31.58 2gr9 h ARG 251 CO -0.62 -0.51 -0.20 0.43 -1.07 0.00 0.00 179.97 178.00 2gr9 n SER 252 N -5.02 -0.32 0.27 7.04 7.64 -0.51 0.39 113.62 123.10 2gr9 n SER 252 Ca -0.10 0.99 0.16 0.00 1.01 0.00 0.00 58.87 60.94 2gr9 n SER 252 Cb 0.31 -0.25 0.90 0.00 -1.01 0.00 0.00 64.21 64.17 2gr9 n SER 252 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2gr9 h LEU 253 N 0.00 0.00 0.07 -3.43 3.38 -1.34 0.22 115.31 114.21 2gr9 h LEU 253 Ca 0.22 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.08 2gr9 h LEU 253 Cb 0.37 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.12 2gr9 h LEU 253 CO -0.58 0.00 -0.54 -0.07 0.09 0.00 0.00 178.44 177.35 2gr9 h LEU 254 N 0.00 0.23 -0.46 1.67 3.38 0.72 -2.83 115.31 118.02 2gr9 h LEU 254 Ca 0.03 -0.94 0.09 0.00 0.09 0.00 0.00 57.88 57.15 2gr9 h LEU 254 Cb 0.18 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.78 2gr9 h LEU 254 CO -0.00 1.25 -0.02 0.40 0.09 0.00 0.00 178.44 180.16 2gr9 h ILE 255 N -0.67 0.62 -0.47 1.22 1.08 -1.02 0.47 117.51 118.73 2gr9 h ILE 255 Ca -0.11 -0.03 0.14 0.00 -0.39 0.00 0.00 64.86 64.47 2gr9 h ILE 255 Cb 1.36 0.52 -0.02 0.00 -3.07 0.00 0.00 36.82 35.61 2gr9 h ILE 255 CO 0.06 0.02 0.45 0.78 -0.69 0.00 0.00 178.15 178.77 2gr9 h ASN 256 N 0.09 0.00 0.15 1.72 4.21 -0.63 -1.77 115.58 119.35 2gr9 h ASN 256 Ca 0.23 0.00 -0.35 0.00 1.21 0.00 0.00 56.30 57.39 2gr9 h ASN 256 Cb 0.35 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.54 2gr9 h ASN 256 CO -0.40 0.00 -1.82 0.00 -1.29 0.00 0.00 177.43 173.92 2gr9 h ALA 257 N 1.54 0.29 0.64 -0.83 0.00 0.16 -2.72 119.26 118.33 2gr9 h ALA 257 Ca 0.22 -1.25 -0.03 0.00 0.00 0.00 0.00 54.91 53.85 2gr9 h ALA 257 Cb 1.12 0.58 0.01 0.00 0.00 0.00 0.00 17.79 19.50 2gr9 h ALA 257 CO -0.00 1.13 -0.31 -0.24 0.00 0.00 0.00 179.25 179.82 2gr9 h VAL 258 N 0.02 0.27 -0.68 0.00 3.04 -0.76 -0.33 116.25 117.81 2gr9 h VAL 258 Ca -0.38 -0.23 0.14 0.00 -1.01 0.00 0.00 66.70 65.23 2gr9 h VAL 258 Cb 2.01 0.34 -0.10 0.00 -2.01 0.00 0.00 31.29 31.53 2gr9 h VAL 258 CO 0.11 0.03 0.15 -0.08 -1.01 0.00 0.00 177.57 176.77 2gr9 h GLU 259 N -1.03 0.26 -0.63 4.17 4.81 -1.52 0.49 114.58 121.12 2gr9 h GLU 259 Ca -0.09 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 2gr9 h GLU 259 Cb 0.70 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.00 2gr9 h GLU 259 CO 0.14 0.17 0.19 0.00 -0.73 0.00 0.00 179.01 178.78 2gr9 h ALA 260 N 1.56 1.14 -0.28 2.92 0.00 -1.37 0.10 119.26 123.32 2gr9 h ALA 260 Ca 0.37 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 2gr9 h ALA 260 Cb 0.60 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2gr9 h ALA 260 CO -0.47 0.59 -0.12 1.03 0.00 0.00 0.00 179.25 180.28 2gr9 h SER 261 N 0.93 0.60 0.64 0.00 0.87 0.12 -2.27 113.55 114.44 2gr9 h SER 261 Ca 0.21 -0.40 -0.03 0.00 -1.23 0.00 0.00 61.79 60.34 2gr9 h SER 261 Cb 0.28 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2gr9 h SER 261 CO -0.01 0.86 -0.31 0.00 -0.53 0.00 0.00 176.83 176.85 2gr9 h ILE 263 N -1.10 0.49 0.00 0.00 1.08 -0.86 0.95 117.51 118.07 2gr9 h ILE 263 Ca -0.09 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 2gr9 h ILE 263 Cb 0.70 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.44 2gr9 h ILE 263 CO 0.14 0.08 0.00 -0.09 -0.69 0.00 0.00 178.15 177.60 2gr9 h ARG 264 N 0.46 0.00 0.06 2.37 9.65 -1.27 -1.78 114.38 123.88 2gr9 h ARG 264 Ca 0.64 0.00 -0.24 0.00 -1.10 0.00 0.00 59.98 59.28 2gr9 h ARG 264 Cb 1.44 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.00 2gr9 h ARG 264 CO -0.41 0.00 -1.14 1.15 2.80 0.00 0.00 179.97 182.36 2gr9 h THR 265 N 0.00 1.58 0.40 0.20 2.02 0.19 -3.02 112.91 114.28 2gr9 h THR 265 Ca 0.00 -3.23 -0.02 0.00 0.77 0.00 0.00 66.41 63.93 2gr9 h THR 265 Cb 0.78 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 70.08 2gr9 h THR 265 CO 0.00 0.92 -0.19 0.03 0.37 0.00 0.00 175.52 176.65 2gr9 h ARG 266 N 0.04 -0.51 -0.61 6.66 3.08 -0.81 -2.67 114.38 119.54 2gr9 h ARG 266 Ca -0.08 0.03 0.18 0.00 0.07 0.00 0.00 59.98 60.18 2gr9 h ARG 266 Cb 1.87 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 32.02 2gr9 h ARG 266 CO 0.16 -0.20 0.84 0.93 -1.07 0.00 0.00 179.97 180.63 2gr9 h GLU 267 N -0.89 0.00 0.09 0.04 5.08 -1.38 0.48 114.58 118.01 2gr9 h GLU 267 Ca -0.05 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.02 2gr9 h GLU 267 Cb 0.55 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.82 2gr9 h GLU 267 CO 0.09 0.00 -1.18 -0.07 -1.00 0.00 0.00 179.01 176.85 2gr9 h LEU 268 N 0.00 0.82 -0.54 1.33 3.38 -1.34 -3.27 115.31 115.69 2gr9 h LEU 268 Ca 0.29 -0.74 -0.13 0.00 0.09 0.00 0.00 57.88 57.39 2gr9 h LEU 268 Cb 1.96 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.44 2gr9 h LEU 268 CO -0.00 1.54 -0.26 0.06 0.09 0.00 0.00 178.44 179.88 2gr9 h GLN 269 N 0.28 0.91 -1.73 1.13 3.07 0.08 -2.85 115.11 115.99 2gr9 h GLN 269 Ca -0.16 -0.40 0.00 0.00 0.09 0.00 0.00 58.65 58.18 2gr9 h GLN 269 Cb 1.85 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 29.38 2gr9 h GLN 269 CO 0.22 1.05 0.00 0.43 0.09 0.00 0.00 178.83 180.63 2gr9 n SER 270 N -4.10 1.14 0.00 0.06 7.64 -0.91 0.20 113.62 117.66 2gr9 n SER 270 Ca -0.00 -0.82 0.00 0.00 1.01 0.00 0.00 58.87 59.06 2gr9 n SER 270 Cb 0.47 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 2gr9 n SER 270 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2gr9 n MET 271 N 1.03 0.00 0.18 1.43 2.81 -1.10 -4.60 117.12 116.87 2gr9 n MET 271 Ca 0.00 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.01 2gr9 n MET 271 Cb 0.17 -0.38 0.18 0.00 -0.71 0.00 0.00 33.22 32.48 2gr9 n MET 271 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2gr9 h ALA 272 N 0.00 0.92 -0.56 3.04 0.00 -0.43 -2.22 119.26 120.01 2gr9 h ALA 272 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 2gr9 h ALA 272 Cb 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.59 2gr9 h ALA 272 CO 0.00 0.00 0.02 -0.25 0.00 0.00 0.00 179.25 179.02 2gr9 n ASP 273 N -2.89 3.55 0.00 0.00 9.92 0.53 -4.61 116.55 123.05 2gr9 n ASP 273 Ca 0.04 -3.77 0.00 0.00 -0.53 0.00 0.00 54.79 50.53 2gr9 n ASP 273 Cb 0.52 -0.66 0.00 0.00 -0.64 0.00 0.00 41.12 40.33 2gr9 n ASP 273 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 2gr9 n GLN 274 N -1.05 0.00 0.00 -1.24 7.27 -1.17 -4.84 117.38 116.35 2gr9 n GLN 274 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.49 2gr9 n GLN 274 Cb 1.07 -0.24 0.00 0.00 2.41 0.00 0.00 30.24 33.48 2gr9 n GLN 274 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52