#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gr9 n GLY 0 N 0.00 0.43 3.19 -0.13 0.00 -1.26 -4.93 105.19 102.50 2gr9 n GLY 0 Ca 0.00 0.99 -0.13 0.00 0.00 0.00 0.00 46.02 46.88 2gr9 n GLY 0 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2gr9 s MET 1 N 3.68 0.46 0.39 1.61 0.00 -1.26 -5.13 119.30 119.05 2gr9 s MET 1 Ca 1.04 0.14 0.08 0.00 0.00 0.00 0.00 55.69 56.95 2gr9 s MET 1 Cb -1.30 0.21 -0.07 0.00 0.00 0.00 0.00 34.83 33.67 2gr9 s MET 1 CO 0.73 -0.09 0.05 -1.12 0.00 0.00 0.00 175.02 174.58 2gr9 s SER 2 N -0.47 4.07 0.08 1.11 0.01 -1.26 -4.97 113.70 112.28 2gr9 s SER 2 Ca -0.06 -1.20 -0.18 0.00 1.31 0.00 0.00 55.95 55.82 2gr9 s SER 2 Cb -0.04 -0.44 0.04 0.00 0.21 0.00 0.00 66.02 65.79 2gr9 s SER 2 CO 0.02 -0.41 0.43 -0.69 0.41 0.00 0.00 173.24 173.00 2gr9 s VAL 3 N -2.63 0.06 0.12 3.43 1.01 -0.79 -3.76 120.40 117.84 2gr9 s VAL 3 Ca 0.36 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 2gr9 s VAL 3 Cb 0.06 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 2gr9 s VAL 3 CO 0.19 -0.25 0.04 -0.83 0.00 0.00 0.00 175.10 174.25 2gr9 s GLY 4 N -2.37 0.94 -0.35 4.51 0.00 -1.10 -3.10 107.32 105.84 2gr9 s GLY 4 Ca -0.01 -1.45 -0.00 0.00 0.00 0.00 0.00 44.72 43.26 2gr9 s GLY 4 CO -0.07 -1.37 0.15 -1.36 0.00 0.00 0.00 173.10 170.46 2gr9 s PHE 5 N -4.01 1.59 0.04 1.90 0.40 -0.78 -2.34 117.98 114.79 2gr9 s PHE 5 Ca 0.22 -1.88 -0.16 0.00 -0.60 0.00 0.00 56.93 54.51 2gr9 s PHE 5 Cb 0.07 -1.63 -0.27 0.00 0.51 0.00 0.00 43.02 41.71 2gr9 s PHE 5 CO 0.01 -0.84 1.10 0.82 0.70 0.00 0.00 175.22 177.01 2gr9 h ILE 6 N 5.95 1.32 -0.88 0.64 1.08 -1.70 -2.41 117.51 121.51 2gr9 h ILE 6 Ca -0.08 -2.35 -0.71 0.00 -0.39 0.00 0.00 64.86 61.33 2gr9 h ILE 6 Cb 0.98 2.66 -0.09 0.00 -3.07 0.00 0.00 36.82 37.29 2gr9 h ILE 6 CO 0.45 0.71 2.34 0.61 -0.69 0.00 0.00 178.15 181.56 2gr9 n GLY 7 N 1.29 3.63 3.70 5.37 0.00 -1.25 -4.53 105.19 113.39 2gr9 n GLY 7 Ca -0.13 -1.69 -0.39 0.00 0.00 0.00 0.00 46.02 43.81 2gr9 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gr9 s ALA 8 N 2.89 3.47 0.00 4.61 0.00 -1.24 -4.39 121.76 127.09 2gr9 s ALA 8 Ca 0.48 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.27 2gr9 s ALA 8 Cb 0.07 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.38 2gr9 s ALA 8 CO 0.00 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.96 2gr9 n GLY 9 N 3.44 0.57 0.00 0.00 0.00 -1.26 -4.78 105.19 103.17 2gr9 n GLY 9 Ca -0.04 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 0.00 1.61 1.13 -1.26 0.63 117.38 119.49 2gr9 n GLN 10 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2gr9 n GLN 10 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.36 2gr9 n GLN 10 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 2gr9 n LEU 11 N 0.00 0.00 -0.06 1.08 7.94 -1.26 -1.79 117.00 122.91 2gr9 n LEU 11 Ca 0.00 0.00 -0.20 0.00 -1.11 0.00 0.00 56.01 54.70 2gr9 n LEU 11 Cb 0.00 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 43.82 2gr9 n LEU 11 CO 0.00 0.00 -0.32 0.00 -1.11 0.00 0.00 177.39 175.96 2gr9 h ALA 12 N 1.34 0.19 -0.44 1.96 0.00 -0.06 -3.10 119.26 119.15 2gr9 h ALA 12 Ca 0.00 -1.04 0.06 0.00 0.00 0.00 0.00 54.91 53.93 2gr9 h ALA 12 Cb 0.00 0.51 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 2gr9 h ALA 12 CO 0.00 0.63 0.12 0.35 0.00 0.00 0.00 179.25 180.35 2gr9 h PHE 13 N -0.74 0.20 0.09 0.00 -0.00 -0.49 0.11 116.94 116.11 2gr9 h PHE 13 Ca -0.27 0.02 0.02 0.00 -0.00 0.00 0.00 57.97 57.74 2gr9 h PHE 13 Cb 1.42 -0.03 -0.05 0.00 -0.00 0.00 0.00 35.95 37.29 2gr9 h PHE 13 CO 0.14 0.05 -0.49 0.00 -0.00 0.00 0.00 178.31 178.01 2gr9 h ALA 14 N 1.31 -0.89 -0.39 2.41 0.00 -1.68 0.01 119.26 120.03 2gr9 h ALA 14 Ca 0.21 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.11 2gr9 h ALA 14 Cb 0.24 0.84 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 2gr9 h ALA 14 CO -0.25 -1.07 -0.27 -0.07 0.00 0.00 0.00 179.25 177.59 2gr9 h LEU 15 N -0.70 -0.90 0.00 0.00 3.38 -1.34 -1.10 115.31 114.64 2gr9 h LEU 15 Ca 0.01 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2gr9 h LEU 15 Cb 0.73 0.44 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2gr9 h LEU 15 CO -0.29 -0.29 0.00 0.00 0.09 0.00 0.00 178.44 177.95 2gr9 n ALA 16 N -2.95 0.00 0.24 1.53 0.00 0.32 -1.33 120.51 118.31 2gr9 n ALA 16 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.50 2gr9 n ALA 16 Cb 0.32 0.14 0.21 0.00 0.00 0.00 0.00 19.45 20.13 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 0.02 0.00 3.64 -0.97 0.28 116.57 119.54 2gr9 h LYS 17 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2gr9 h LYS 17 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2gr9 h LYS 17 CO 0.00 0.00 -0.01 0.78 -2.27 0.00 0.00 179.45 177.95 2gr9 h GLY 18 N 0.00 -0.03 2.00 5.01 0.00 0.11 -3.13 103.07 107.03 2gr9 h GLY 18 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 2gr9 h GLY 18 CO 0.00 -0.01 -0.09 0.74 0.00 0.00 0.00 176.54 177.18 2gr9 h PHE 19 N -0.92 0.00 0.00 5.60 -1.00 0.66 -0.29 116.94 120.99 2gr9 h PHE 19 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2gr9 h PHE 19 Cb 0.74 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.30 2gr9 h PHE 19 CO 0.19 0.09 0.00 2.41 -1.61 0.00 0.00 178.31 179.39 2gr9 n THR 20 N -4.18 0.00 -0.23 -1.55 -1.04 -0.81 -2.78 114.28 103.69 2gr9 n THR 20 Ca -0.03 1.07 0.25 0.00 -2.04 0.00 0.00 64.05 63.30 2gr9 n THR 20 Cb 0.17 -1.97 0.63 0.00 -1.82 0.00 0.00 70.33 67.33 2gr9 n THR 20 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2gr9 h ALA 21 N -1.97 2.57 -1.39 2.41 0.00 -1.52 0.24 119.26 119.60 2gr9 h ALA 21 Ca 0.00 -0.00 0.42 0.00 0.00 0.00 0.00 54.91 55.32 2gr9 h ALA 21 Cb 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.73 2gr9 h ALA 21 CO 0.00 -0.86 0.95 0.00 0.00 0.00 0.00 179.25 179.34 2gr9 h ALA 22 N 1.57 3.00 0.00 0.00 0.00 -0.86 -3.44 119.26 119.53 2gr9 h ALA 22 Ca 0.48 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2gr9 h ALA 22 Cb 1.55 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2gr9 h ALA 22 CO -0.11 -1.51 0.00 0.41 0.00 0.00 0.00 179.25 178.05 2gr9 n GLY 23 N -1.66 0.49 2.15 0.00 0.00 0.84 -4.94 105.19 102.07 2gr9 n GLY 23 Ca 0.34 -0.84 -0.05 0.00 0.00 0.00 0.00 46.02 45.48 2gr9 n GLY 23 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2gr9 n VAL 24 N -2.83 1.45 -3.65 1.61 0.31 -1.21 -5.07 118.33 108.93 2gr9 n VAL 24 Ca 0.00 -2.92 -0.03 0.00 -0.01 0.00 0.00 64.34 61.38 2gr9 n VAL 24 Cb 0.00 0.47 -0.07 0.00 -0.91 0.00 0.00 33.84 33.34 2gr9 n VAL 24 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2gr9 s LEU 25 N -2.98 -0.09 -0.14 7.52 2.96 -1.23 -4.98 118.68 119.75 2gr9 s LEU 25 Ca 0.36 0.15 -0.02 0.00 -0.22 0.00 0.00 54.13 54.40 2gr9 s LEU 25 Cb 0.36 1.17 -0.02 0.00 0.50 0.00 0.00 46.19 48.20 2gr9 s LEU 25 CO -0.05 -0.04 -0.07 0.00 -1.32 0.00 0.00 176.35 174.88 2gr9 s ALA 26 N -0.12 2.90 -1.23 5.97 0.00 -1.26 -4.46 121.76 123.56 2gr9 s ALA 26 Ca 0.07 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.19 2gr9 s ALA 26 Cb -0.04 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.65 2gr9 s ALA 26 CO -0.14 0.27 0.00 0.00 0.00 0.00 0.00 175.76 175.89 2gr9 n ALA 27 N 3.36 1.00 0.00 0.00 0.00 -1.26 -0.90 120.51 122.72 2gr9 n ALA 27 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2gr9 n ALA 27 Cb 0.53 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.20 2gr9 n ALA 27 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2gr9 n HIS 28 N -0.07 0.00 1.62 0.00 8.25 -1.26 -3.82 115.22 119.94 2gr9 n HIS 28 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.61 2gr9 n HIS 28 Cb 0.00 0.00 0.71 0.00 1.12 0.00 0.00 29.99 31.82 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 -1.20 0.99 -3.97 -0.41 4.76 -0.07 -4.69 118.16 113.56 2gr9 n LYS 29 Ca 0.00 -0.30 -0.22 0.00 -2.87 0.00 0.00 58.31 54.92 2gr9 n LYS 29 Cb 0.00 -1.49 -0.17 0.00 -1.84 0.00 0.00 35.03 31.53 2gr9 n LYS 29 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2gr9 s ILE 30 N -2.22 0.56 0.34 -0.18 1.09 -1.24 -1.89 121.20 117.66 2gr9 s ILE 30 Ca 0.37 -0.06 -0.01 0.00 -1.10 0.00 0.00 60.65 59.86 2gr9 s ILE 30 Cb 0.21 -0.64 -0.04 0.00 -1.06 0.00 0.00 42.46 40.94 2gr9 s ILE 30 CO 0.41 0.27 0.55 -0.32 -0.10 0.00 0.00 174.94 175.75 2gr9 s MET 31 N 1.46 3.51 -0.62 2.79 1.75 -1.18 -4.26 119.30 122.75 2gr9 s MET 31 Ca -0.02 -0.26 0.05 0.00 -1.25 0.00 0.00 55.69 54.21 2gr9 s MET 31 Cb -0.13 -2.65 0.20 0.00 2.84 0.00 0.00 34.83 35.08 2gr9 s MET 31 CO -0.03 0.15 0.54 0.00 -0.65 0.00 0.00 175.02 175.03 2gr9 n ALA 32 N -1.64 3.44 -2.34 4.11 0.00 0.61 -1.86 120.51 122.84 2gr9 n ALA 32 Ca -0.04 -4.30 -0.43 0.00 0.00 0.00 0.00 53.44 48.67 2gr9 n ALA 32 Cb 0.56 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 19.05 2gr9 n ALA 32 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2gr9 s SER 33 N -1.50 6.74 -0.11 0.00 0.15 -0.91 -2.42 113.70 115.66 2gr9 s SER 33 Ca 0.31 1.58 0.02 0.00 0.70 0.00 0.00 55.95 58.56 2gr9 s SER 33 Cb 0.04 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.82 2gr9 s SER 33 CO -0.13 -0.96 -0.18 -0.55 1.20 0.00 0.00 173.24 172.63 2gr9 s SER 34 N 2.71 2.61 -0.92 5.45 0.15 -1.07 -3.94 113.70 118.70 2gr9 s SER 34 Ca 0.59 -0.47 -0.24 0.00 0.70 0.00 0.00 55.95 56.53 2gr9 s SER 34 Cb -0.22 -1.19 -0.02 0.00 -1.71 0.00 0.00 66.02 62.89 2gr9 s SER 34 CO 0.21 0.06 1.79 -2.16 1.20 0.00 0.00 173.24 174.34 2gr9 s PRO 35 N 0.79 2.87 1.04 5.44 0.04 -1.26 -4.73 135.00 139.19 2gr9 s PRO 35 Ca -0.10 -0.49 0.00 0.00 0.04 0.00 0.00 61.00 60.45 2gr9 s PRO 35 Cb -0.16 -5.10 0.00 0.00 0.04 0.00 0.00 34.50 29.28 2gr9 s PRO 35 CO 0.01 -2.99 0.00 -0.25 0.04 0.00 0.00 177.00 173.80 2gr9 n ASP 36 N 12.39 0.00 -3.86 6.66 10.43 -1.26 -5.05 116.55 135.85 2gr9 n ASP 36 Ca 0.37 0.00 -0.11 0.00 2.57 0.00 0.00 54.79 57.62 2gr9 n ASP 36 Cb 0.48 0.00 -0.06 0.00 1.84 0.00 0.00 41.12 43.38 2gr9 n ASP 36 CO 0.00 0.00 0.00 -0.04 -1.07 0.00 0.00 177.20 176.09 2gr9 s MET 37 N 0.00 1.56 -0.18 -1.24 -1.94 -1.26 -5.09 119.30 111.15 2gr9 s MET 37 Ca 0.00 -1.46 -0.28 0.00 -1.71 0.00 0.00 55.69 52.24 2gr9 s MET 37 Cb 0.00 0.42 0.10 0.00 2.01 0.00 0.00 34.83 37.36 2gr9 s MET 37 CO 0.00 -0.62 0.85 0.34 -0.01 0.00 0.00 175.02 175.58 2gr9 s ASP 38 N -3.10 -0.55 0.31 3.03 3.68 -1.26 -5.04 116.67 113.72 2gr9 s ASP 38 Ca 0.28 0.82 0.09 0.00 2.13 0.00 0.00 52.55 55.87 2gr9 s ASP 38 Cb 0.01 0.74 0.49 0.00 -1.45 0.00 0.00 42.92 42.72 2gr9 s ASP 38 CO 0.12 -0.36 1.71 -0.07 0.13 0.00 0.00 175.17 176.70 2gr9 h LEU 39 N 3.56 0.15 0.00 -1.34 3.38 -1.98 -0.10 115.31 118.98 2gr9 h LEU 39 Ca -0.25 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2gr9 h LEU 39 Cb 1.16 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2gr9 h LEU 39 CO 0.23 0.58 0.00 0.00 0.09 0.00 0.00 178.44 179.35 2gr9 n ALA 40 N -2.46 0.00 -0.59 1.53 0.00 -1.26 -3.57 120.51 114.16 2gr9 n ALA 40 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2gr9 n ALA 40 Cb 0.49 0.33 0.00 0.00 0.00 0.00 0.00 19.45 20.27 2gr9 n ALA 40 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2gr9 n THR 41 N -1.99 0.00 0.59 0.00 -2.24 -1.26 -4.51 114.28 104.87 2gr9 n THR 41 Ca 0.00 -0.11 0.12 0.00 -2.27 0.00 0.00 64.05 61.79 2gr9 n THR 41 Cb 0.00 1.59 0.15 0.00 -2.10 0.00 0.00 70.33 69.97 2gr9 n THR 41 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2gr9 n VAL 42 N -0.05 0.30 -0.11 2.28 0.31 -0.96 -3.51 118.33 116.58 2gr9 n VAL 42 Ca 0.00 -0.25 -0.24 0.00 -0.01 0.00 0.00 64.34 63.84 2gr9 n VAL 42 Cb 0.15 -0.05 -0.08 0.00 -0.91 0.00 0.00 33.84 32.94 2gr9 n VAL 42 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2gr9 n SER 43 N -2.05 1.65 0.07 4.52 2.88 -0.09 -4.30 113.62 116.30 2gr9 n SER 43 Ca 0.03 0.25 0.05 0.00 -1.33 0.00 0.00 58.87 57.87 2gr9 n SER 43 Cb 0.43 -0.65 0.27 0.00 -0.75 0.00 0.00 64.21 63.51 2gr9 n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2gr9 n ALA 44 N -3.96 1.06 0.09 -1.46 0.00 -1.23 0.87 120.51 115.86 2gr9 n ALA 44 Ca -0.44 0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.00 2gr9 n ALA 44 Cb 0.82 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 19.12 2gr9 n ALA 44 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2gr9 h LEU 45 N 0.00 0.23 0.00 0.00 6.46 -1.75 -3.30 115.31 116.96 2gr9 h LEU 45 Ca 0.00 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.57 2gr9 h LEU 45 Cb 0.02 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 39.88 2gr9 h LEU 45 CO 0.00 1.00 0.00 0.54 -0.62 0.00 0.00 178.44 179.36 2gr9 n ARG 46 N -3.65 0.00 0.18 1.25 5.12 0.25 -2.44 116.66 117.37 2gr9 n ARG 46 Ca -0.03 0.31 0.03 0.00 -1.93 0.00 0.00 57.85 56.22 2gr9 n ARG 46 Cb 0.81 -1.18 0.14 0.00 -1.16 0.00 0.00 32.46 31.07 2gr9 n ARG 46 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 2gr9 h LYS 47 N 0.00 0.00 0.58 5.56 3.64 -1.70 -0.37 116.57 124.28 2gr9 h LYS 47 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2gr9 h LYS 47 Cb 0.00 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2gr9 h LYS 47 CO 0.00 0.00 -0.28 1.98 -2.27 0.00 0.00 179.45 178.88 2gr9 h MET 48 N 0.00 -0.75 0.00 1.90 4.05 -1.55 -3.48 114.93 115.10 2gr9 h MET 48 Ca 0.00 0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 2gr9 h MET 48 Cb 1.21 0.17 0.00 0.00 -0.80 0.00 0.00 31.60 32.18 2gr9 h MET 48 CO 0.00 -0.50 0.00 0.41 0.23 0.00 0.00 176.91 177.05 2gr9 n GLY 49 N -0.27 0.72 3.30 1.39 0.00 -0.15 -5.05 105.19 105.14 2gr9 n GLY 49 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 2gr9 n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gr9 s VAL 50 N -0.72 4.05 0.18 1.61 1.01 -1.24 -4.27 120.40 121.01 2gr9 s VAL 50 Ca 0.00 -1.08 -0.33 0.00 0.00 0.00 0.00 61.98 60.57 2gr9 s VAL 50 Cb 0.00 -3.30 -0.14 0.00 0.00 0.00 0.00 36.38 32.94 2gr9 s VAL 50 CO 0.00 -0.23 1.49 0.29 0.00 0.00 0.00 175.10 176.65 2gr9 n LYS 51 N 4.87 2.00 -3.70 2.72 4.01 -1.26 -4.66 118.16 122.14 2gr9 n LYS 51 Ca -0.12 0.72 -0.37 0.00 -0.51 0.00 0.00 58.31 58.03 2gr9 n LYS 51 Cb 0.45 -2.43 -0.11 0.00 -0.51 0.00 0.00 35.03 32.42 2gr9 n LYS 51 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 2gr9 s LEU 52 N 0.59 3.79 -0.25 -0.35 0.20 -1.26 0.23 118.68 121.62 2gr9 s LEU 52 Ca 0.76 -0.06 -0.09 0.00 0.69 0.00 0.00 54.13 55.42 2gr9 s LEU 52 Cb -0.70 -2.03 -0.04 0.00 -0.43 0.00 0.00 46.19 42.99 2gr9 s LEU 52 CO 0.43 -0.01 0.13 -0.89 -0.29 0.00 0.00 176.35 175.71 2gr9 s THR 53 N 1.50 4.90 -2.00 3.68 2.01 -1.02 -4.92 115.64 119.80 2gr9 s THR 53 Ca 0.06 0.02 0.11 0.00 0.31 0.00 0.00 61.69 62.20 2gr9 s THR 53 Cb -0.15 -3.30 0.31 0.00 0.01 0.00 0.00 72.50 69.37 2gr9 s THR 53 CO 0.07 0.32 1.07 -0.81 -0.69 0.00 0.00 174.62 174.57 2gr9 n PRO 54 N 4.71 0.38 -4.01 4.92 -0.04 -1.26 -2.59 135.00 137.11 2gr9 n PRO 54 Ca -0.15 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.07 2gr9 n PRO 54 Cb 0.52 -1.44 -0.17 0.00 -0.04 0.00 0.00 33.50 32.37 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 1.06 -1.65 0.54 3.76 -1.26 -4.88 115.29 110.86 2gr9 s HIS 55 Ca 0.16 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 54.66 2gr9 s HIS 55 Cb 0.07 -0.95 0.00 0.00 1.11 0.00 0.00 32.58 32.81 2gr9 s HIS 55 CO 0.12 -0.35 0.09 0.09 -0.85 0.00 0.00 174.74 173.84 2gr9 n ASN 56 N 4.66 0.04 -0.08 1.40 3.02 -1.26 -2.73 115.26 120.30 2gr9 n ASN 56 Ca -0.15 -0.22 -0.08 0.00 -0.03 0.00 0.00 54.58 54.10 2gr9 n ASN 56 Cb 0.50 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.63 2gr9 n ASN 56 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2gr9 n LYS 57 N -0.17 0.49 0.30 3.52 5.02 -1.26 -4.33 118.16 121.74 2gr9 n LYS 57 Ca 0.00 0.19 0.13 0.00 -2.02 0.00 0.00 58.31 56.62 2gr9 n LYS 57 Cb 0.01 -1.36 0.63 0.00 -0.02 0.00 0.00 35.03 34.29 2gr9 n LYS 57 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2gr9 h GLU 58 N -0.93 0.00 0.00 1.97 5.08 -1.92 0.89 114.58 119.67 2gr9 h GLU 58 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2gr9 h GLU 58 Cb 0.93 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 2gr9 h GLU 58 CO 0.00 0.00 -0.29 1.15 -1.00 0.00 0.00 179.01 178.87 2gr9 h THR 59 N 0.00 0.24 -0.00 1.13 2.02 -1.78 -3.22 112.91 111.30 2gr9 h THR 59 Ca 0.03 -1.36 0.00 0.00 0.77 0.00 0.00 66.41 65.86 2gr9 h THR 59 Cb 1.04 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 2gr9 h THR 59 CO -0.00 0.14 -0.04 0.52 0.37 0.00 0.00 175.52 176.51 2gr9 n VAL 60 N -3.08 0.00 0.00 3.16 0.31 0.31 -4.16 118.33 114.86 2gr9 n VAL 60 Ca 0.03 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 2gr9 n VAL 60 Cb 0.60 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 2gr9 n VAL 60 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gr9 n GLN 61 N -0.87 0.00 0.26 5.55 3.00 -1.22 -4.20 117.38 119.90 2gr9 n GLN 61 Ca 0.19 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.23 2gr9 n GLN 61 Cb 0.22 -0.30 0.29 0.00 0.00 0.00 0.00 30.24 30.44 2gr9 n GLN 61 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.06 178.18 2gr9 h HIS 62 N 0.00 0.00 -1.17 1.08 2.07 -1.79 -3.42 115.15 111.92 2gr9 h HIS 62 Ca 0.00 0.00 -0.26 0.00 -2.85 0.00 0.00 60.37 57.26 2gr9 h HIS 62 Cb 0.00 0.00 0.14 0.00 2.57 0.00 0.00 27.41 30.12 2gr9 h HIS 62 CO 0.00 0.00 -1.26 0.43 -3.07 0.00 0.00 177.93 174.03 2gr9 n SER 63 N -2.34 -2.55 0.00 3.10 7.64 -1.26 -4.68 113.62 113.54 2gr9 n SER 63 Ca -0.01 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2gr9 n SER 63 Cb 0.64 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 2gr9 n SER 63 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2gr9 n ASP 64 N 2.53 0.00 0.00 6.43 4.64 -1.25 -4.75 116.55 124.15 2gr9 n ASP 64 Ca -0.00 -0.32 0.00 0.00 -1.38 0.00 0.00 54.79 53.09 2gr9 n ASP 64 Cb 0.39 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.47 2gr9 n ASP 64 CO 0.00 0.00 0.00 0.55 -0.82 0.00 0.00 177.20 176.93 2gr9 n VAL 65 N 0.00 0.00 -3.99 5.18 3.14 -1.25 -3.96 118.33 117.45 2gr9 n VAL 65 Ca 0.00 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.24 2gr9 n VAL 65 Cb 0.09 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 32.72 2gr9 n VAL 65 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 2gr9 s LEU 66 N 0.00 1.84 -0.61 6.55 0.20 -0.99 -2.73 118.68 122.94 2gr9 s LEU 66 Ca 0.00 -0.04 -0.22 0.00 0.69 0.00 0.00 54.13 54.56 2gr9 s LEU 66 Cb 0.00 -0.15 0.07 0.00 -0.43 0.00 0.00 46.19 45.69 2gr9 s LEU 66 CO 0.00 0.01 0.86 -0.36 -0.29 0.00 0.00 176.35 176.57 2gr9 s PHE 67 N 0.15 2.81 -1.40 5.38 0.40 -0.99 -2.04 117.98 122.28 2gr9 s PHE 67 Ca -0.01 -0.57 -0.15 0.00 -0.60 0.00 0.00 56.93 55.60 2gr9 s PHE 67 Cb -0.03 -4.11 0.03 0.00 0.51 0.00 0.00 43.02 39.42 2gr9 s PHE 67 CO -0.00 -1.45 2.17 -0.11 0.70 0.00 0.00 175.22 176.52 2gr9 n LEU 68 N 7.17 6.52 -4.23 -0.37 7.94 -1.25 -3.90 117.00 128.87 2gr9 n LEU 68 Ca -0.05 -4.04 -0.44 0.00 -1.11 0.00 0.00 56.01 50.37 2gr9 n LEU 68 Cb 0.45 -1.64 0.00 0.00 0.53 0.00 0.00 43.42 42.77 2gr9 n LEU 68 CO 0.62 0.92 1.14 0.00 -1.11 0.00 0.00 177.39 178.96 2gr9 n ALA 69 N 6.43 4.51 -2.45 1.96 0.00 -1.26 -4.15 120.51 125.55 2gr9 n ALA 69 Ca 0.52 -4.57 -0.28 0.00 0.00 0.00 0.00 53.44 49.10 2gr9 n ALA 69 Cb 0.40 -2.62 -0.12 0.00 0.00 0.00 0.00 19.45 17.11 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 -0.84 2.57 -0.14 0.00 1.01 -1.26 -4.07 120.40 117.68 2gr9 s VAL 70 Ca 0.35 -1.72 -0.35 0.00 0.00 0.00 0.00 61.98 60.25 2gr9 s VAL 70 Cb -0.03 -2.19 -0.12 0.00 0.00 0.00 0.00 36.38 34.04 2gr9 s VAL 70 CO -0.01 0.03 1.87 0.29 0.00 0.00 0.00 175.10 177.28 2gr9 n LYS 71 N 0.64 1.96 -0.04 2.72 4.01 -1.26 -4.59 118.16 121.60 2gr9 n LYS 71 Ca -0.15 0.71 0.02 0.00 -0.51 0.00 0.00 58.31 58.39 2gr9 n LYS 71 Cb 0.54 -2.55 0.04 0.00 -0.51 0.00 0.00 35.03 32.55 2gr9 n LYS 71 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 2gr9 n PRO 72 N 6.51 -0.01 0.00 1.97 -0.02 -1.26 0.11 135.00 142.30 2gr9 n PRO 72 Ca 0.24 0.16 0.02 0.00 -2.02 0.00 0.00 63.50 61.90 2gr9 n PRO 72 Cb 0.26 -0.26 0.11 0.00 -0.02 0.00 0.00 33.50 33.59 2gr9 n PRO 72 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2gr9 n HIS 73 N -3.62 0.00 0.18 6.00 1.44 -1.26 -1.38 115.22 116.58 2gr9 n HIS 73 Ca 0.03 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.76 2gr9 n HIS 73 Cb 0.11 -0.40 -0.01 0.00 0.12 0.00 0.00 29.99 29.81 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 -1.40 0.00 -0.30 0.61 2.08 0.31 -4.61 119.36 116.05 2gr9 n ILE 74 Ca 0.02 -0.44 0.05 0.00 0.56 0.00 0.00 62.75 62.94 2gr9 n ILE 74 Cb 0.05 1.03 0.26 0.00 -0.75 0.00 0.00 39.64 40.23 2gr9 n ILE 74 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 2gr9 h ILE 75 N 0.32 1.02 0.21 1.39 1.08 -1.29 -2.53 117.51 117.71 2gr9 h ILE 75 Ca 0.00 -0.33 -0.01 0.00 -0.39 0.00 0.00 64.86 64.13 2gr9 h ILE 75 Cb 0.12 -0.04 0.00 0.00 -3.07 0.00 0.00 36.82 33.83 2gr9 h ILE 75 CO 0.00 0.18 -0.10 -0.65 -0.69 0.00 0.00 178.15 176.89 2gr9 h PRO 76 N 0.97 -0.27 -1.01 2.37 0.11 -1.82 -2.39 132.00 129.97 2gr9 h PRO 76 Ca 0.41 0.02 0.23 0.00 0.11 0.00 0.00 66.00 66.77 2gr9 h PRO 76 Cb 0.31 0.06 -0.12 0.00 0.11 0.00 0.00 31.00 31.36 2gr9 h PRO 76 CO -0.17 0.11 0.61 0.74 -0.21 0.00 0.00 178.00 179.08 2gr9 h PHE 77 N -0.73 0.98 0.06 0.65 -1.00 -1.80 -1.89 116.94 113.21 2gr9 h PHE 77 Ca -0.03 0.03 -0.26 0.00 2.81 0.00 0.00 57.97 60.53 2gr9 h PHE 77 Cb 0.50 -0.29 0.01 0.00 3.61 0.00 0.00 35.95 39.78 2gr9 h PHE 77 CO 0.05 0.11 -1.10 0.82 -1.61 0.00 0.00 178.31 176.58 2gr9 h ILE 78 N 0.60 1.39 0.00 -0.55 1.08 -1.50 -3.26 117.51 115.28 2gr9 h ILE 78 Ca 0.62 -2.59 0.00 0.00 -0.39 0.00 0.00 64.86 62.50 2gr9 h ILE 78 Cb 1.18 2.62 0.00 0.00 -3.07 0.00 0.00 36.82 37.55 2gr9 h ILE 78 CO -0.43 0.77 0.00 0.18 -0.69 0.00 0.00 178.15 177.98 2gr9 n LEU 79 N -3.71 0.00 0.11 1.44 4.77 -0.74 -1.08 117.00 117.78 2gr9 n LEU 79 Ca -0.09 0.36 0.12 0.00 -0.03 0.00 0.00 56.01 56.37 2gr9 n LEU 79 Cb 0.92 -0.36 0.05 0.00 -2.33 0.00 0.00 43.42 41.70 2gr9 n LEU 79 CO 0.54 -0.12 0.16 0.44 -1.33 0.00 0.00 177.39 177.08 2gr9 h ASP 80 N 0.00 0.00 0.60 -1.43 3.45 -1.51 -2.09 116.42 115.44 2gr9 h ASP 80 Ca 0.00 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.42 2gr9 h ASP 80 Cb 0.24 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.01 2gr9 h ASP 80 CO 0.00 0.02 -1.01 1.21 -1.57 0.00 0.00 179.24 177.89 2gr9 n GLU 81 N -2.62 0.38 -0.00 3.56 2.13 -0.24 -4.20 120.64 119.65 2gr9 n GLU 81 Ca 0.01 0.03 0.05 0.00 0.66 0.00 0.00 57.16 57.90 2gr9 n GLU 81 Cb 0.53 -1.65 -0.07 0.00 0.27 0.00 0.00 31.44 30.52 2gr9 n GLU 81 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2gr9 n ILE 82 N -2.16 0.00 -0.00 6.31 2.08 -0.82 -4.63 119.36 120.14 2gr9 n ILE 82 Ca 0.01 -0.24 -0.00 0.00 0.56 0.00 0.00 62.75 63.08 2gr9 n ILE 82 Cb 0.47 0.58 -0.00 0.00 -0.75 0.00 0.00 39.64 39.94 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 1.93 -2.51 0.08 7.39 0.00 -1.54 0.47 103.07 108.89 2gr9 h GLY 83 Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 47.33 48.41 2gr9 h GLY 83 CO 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 176.54 175.59 2gr9 n ALA 84 N -2.92 2.38 -0.06 3.60 0.00 -1.26 -2.61 120.51 119.63 2gr9 n ALA 84 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.46 2gr9 n ALA 84 Cb 0.00 -1.04 0.10 0.00 0.00 0.00 0.00 19.45 18.51 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 -0.54 2.51 -4.85 0.00 10.43 0.14 -5.02 116.55 119.22 2gr9 n ASP 85 Ca 0.02 -1.91 -0.29 0.00 2.57 0.00 0.00 54.79 55.18 2gr9 n ASP 85 Cb 0.01 -0.14 0.09 0.00 1.84 0.00 0.00 41.12 42.92 2gr9 n ASP 85 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 2gr9 s ILE 86 N -0.95 2.54 0.00 0.53 -1.09 0.19 -4.98 121.20 117.43 2gr9 s ILE 86 Ca 0.15 0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.75 2gr9 s ILE 86 Cb 0.08 -3.07 0.00 0.00 -1.58 0.00 0.00 42.46 37.89 2gr9 s ILE 86 CO 0.11 -0.23 0.00 -0.62 -1.23 0.00 0.00 174.94 172.97 2gr9 n GLU 87 N -3.37 0.00 -0.03 2.79 1.02 -1.26 -4.99 120.64 114.80 2gr9 n GLU 87 Ca 0.07 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.18 2gr9 n GLU 87 Cb 0.59 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.98 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 0.00 3.60 -0.25 1.62 10.43 -1.26 -4.78 116.55 125.90 2gr9 n ASP 88 Ca 0.00 -0.03 -0.05 0.00 2.57 0.00 0.00 54.79 57.28 2gr9 n ASP 88 Cb 0.00 -0.05 0.05 0.00 1.84 0.00 0.00 41.12 42.96 2gr9 n ASP 88 CO 0.00 0.00 0.00 0.08 -1.07 0.00 0.00 177.20 176.21 2gr9 h ARG 89 N 0.00 0.93 -6.35 -1.24 -0.00 -1.98 -3.44 114.38 102.29 2gr9 h ARG 89 Ca -0.12 -0.06 -0.55 0.00 -0.00 0.00 0.00 59.98 59.25 2gr9 h ARG 89 Cb 1.19 -0.21 -0.03 0.00 -0.00 0.00 0.00 29.97 30.92 2gr9 h ARG 89 CO -0.02 0.62 -0.15 -3.38 -0.00 0.00 0.00 179.97 177.05 2gr9 s HIS 90 N -6.11 3.48 -0.02 4.08 -3.43 -1.26 -4.69 115.29 107.34 2gr9 s HIS 90 Ca -0.13 0.86 0.05 0.00 -0.80 0.00 0.00 55.06 55.04 2gr9 s HIS 90 Cb 0.14 -2.24 -0.03 0.00 -1.43 0.00 0.00 32.58 29.03 2gr9 s HIS 90 CO 0.77 0.34 -0.16 0.42 -2.00 0.00 0.00 174.74 174.12 2gr9 s ILE 91 N -1.69 2.92 -0.87 -5.38 1.09 -1.25 -4.73 121.20 111.28 2gr9 s ILE 91 Ca 0.43 -0.87 -0.19 0.00 -1.10 0.00 0.00 60.65 58.92 2gr9 s ILE 91 Cb -0.12 -2.16 0.13 0.00 -1.06 0.00 0.00 42.46 39.25 2gr9 s ILE 91 CO 0.21 0.52 1.05 -0.69 -0.10 0.00 0.00 174.94 175.93 2gr9 s VAL 92 N -0.78 4.77 -1.55 2.92 1.01 -0.09 -2.34 120.40 124.34 2gr9 s VAL 92 Ca 0.12 -1.49 -0.10 0.00 0.00 0.00 0.00 61.98 60.51 2gr9 s VAL 92 Cb -0.11 -4.72 -0.03 0.00 0.00 0.00 0.00 36.38 31.52 2gr9 s VAL 92 CO 0.02 -1.44 2.72 1.33 0.00 0.00 0.00 175.10 177.74 2gr9 n VAL 93 N 5.41 4.28 -2.15 2.92 0.24 -0.87 -2.17 118.33 125.99 2gr9 n VAL 93 Ca 0.18 -2.94 -0.43 0.00 -2.04 0.00 0.00 64.34 59.11 2gr9 n VAL 93 Cb 0.48 -2.54 -0.02 0.00 -1.47 0.00 0.00 33.84 30.28 2gr9 n VAL 93 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2gr9 s SER 94 N 2.09 6.41 -0.35 -1.34 0.15 -1.16 -3.96 113.70 115.54 2gr9 s SER 94 Ca 0.63 1.57 0.02 0.00 0.70 0.00 0.00 55.95 58.87 2gr9 s SER 94 Cb 0.17 -2.53 0.10 0.00 -1.71 0.00 0.00 66.02 62.05 2gr9 s SER 94 CO -0.07 -1.24 0.07 0.00 1.20 0.00 0.00 173.24 173.20 2gr9 s ALA 96 N 0.97 -0.73 -0.02 0.00 0.00 -1.25 -4.48 121.76 116.25 2gr9 s ALA 96 Ca 0.09 0.31 -0.25 0.00 0.00 0.00 0.00 51.96 52.10 2gr9 s ALA 96 Cb -0.20 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 2gr9 s ALA 96 CO -0.07 -0.25 0.78 0.00 0.00 0.00 0.00 175.76 176.22 2gr9 s ALA 97 N -1.24 3.31 0.00 0.00 0.00 -1.26 -3.99 121.76 118.59 2gr9 s ALA 97 Ca -0.13 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.10 2gr9 s ALA 97 Cb -0.05 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 20.02 2gr9 s ALA 97 CO 0.04 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.13 2gr9 n GLY 98 N 2.82 0.89 3.40 0.00 0.00 -1.26 -4.68 105.19 106.37 2gr9 n GLY 98 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.13 4.60 1.06 1.61 1.01 -1.26 -3.31 120.40 120.98 2gr9 s VAL 99 Ca 0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.14 2gr9 s VAL 99 Cb 0.00 -3.50 0.21 0.00 0.00 0.00 0.00 36.38 33.09 2gr9 s VAL 99 CO 0.00 -0.14 0.95 0.41 0.00 0.00 0.00 175.10 176.32 2gr9 n THR 100 N 5.00 0.00 0.08 3.92 -1.04 -1.26 -4.92 114.28 116.05 2gr9 n THR 100 Ca -0.12 -0.25 0.01 0.00 -2.04 0.00 0.00 64.05 61.64 2gr9 n THR 100 Cb 0.47 -0.94 -0.04 0.00 -1.82 0.00 0.00 70.33 68.00 2gr9 n THR 100 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 2gr9 h ILE 101 N -2.28 0.71 -0.02 12.58 6.09 -1.98 -3.20 117.51 129.42 2gr9 h ILE 101 Ca -0.53 -2.16 0.00 0.00 -1.37 0.00 0.00 64.86 60.80 2gr9 h ILE 101 Cb 1.31 2.24 0.00 0.00 0.47 0.00 0.00 36.82 40.83 2gr9 h ILE 101 CO 0.44 0.41 0.00 -1.20 -3.07 0.00 0.00 178.15 174.73 2gr9 n SER 102 N -3.05 0.97 -0.00 2.19 7.64 -1.26 -1.02 113.62 119.09 2gr9 n SER 102 Ca -0.04 -1.34 -0.19 0.00 1.01 0.00 0.00 58.87 58.31 2gr9 n SER 102 Cb 0.80 -0.01 -0.14 0.00 -1.01 0.00 0.00 64.21 63.86 2gr9 n SER 102 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2gr9 n SER 103 N -0.23 1.85 0.01 6.43 2.88 -1.21 -2.77 113.62 120.58 2gr9 n SER 103 Ca 0.20 0.25 -0.11 0.00 -1.33 0.00 0.00 58.87 57.89 2gr9 n SER 103 Cb 0.26 -0.68 -0.14 0.00 -0.75 0.00 0.00 64.21 62.90 2gr9 n SER 103 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2gr9 h ILE 104 N 0.06 1.04 0.00 2.46 5.03 -1.62 -3.31 117.51 121.16 2gr9 h ILE 104 Ca -0.39 -2.82 0.00 0.00 -0.12 0.00 0.00 64.86 61.53 2gr9 h ILE 104 Cb 2.03 2.56 0.00 0.00 -3.03 0.00 0.00 36.82 38.39 2gr9 h ILE 104 CO 0.09 0.67 -0.09 -0.62 -0.68 0.00 0.00 178.15 177.52 2gr9 n GLU 105 N -3.21 0.24 -2.72 2.37 1.02 -0.19 -2.48 120.64 115.66 2gr9 n GLU 105 Ca -0.15 0.17 -0.28 0.00 -0.02 0.00 0.00 57.16 56.88 2gr9 n GLU 105 Cb 1.03 -1.76 -0.02 0.00 -0.02 0.00 0.00 31.44 30.68 2gr9 n GLU 105 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2gr9 n LYS 106 N -2.16 3.43 0.00 3.49 5.02 -1.11 -3.67 118.16 123.16 2gr9 n LYS 106 Ca 0.05 -4.68 0.00 0.00 -2.02 0.00 0.00 58.31 51.67 2gr9 n LYS 106 Cb 0.42 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.17 2gr9 n LYS 106 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2gr9 n LYS 107 N -0.33 0.00 -0.09 1.97 4.81 -1.24 -4.85 118.16 118.43 2gr9 n LYS 107 Ca 0.36 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.68 2gr9 n LYS 107 Cb 0.47 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.43 2gr9 n LYS 107 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2gr9 n LEU 108 N -0.04 2.20 0.01 3.14 4.77 -1.04 -4.37 117.00 121.69 2gr9 n LEU 108 Ca 0.00 -0.07 0.04 0.00 -0.03 0.00 0.00 56.01 55.95 2gr9 n LEU 108 Cb 0.00 -0.39 0.19 0.00 -2.33 0.00 0.00 43.42 40.89 2gr9 n LEU 108 CO 0.00 0.70 0.63 -1.20 -1.33 0.00 0.00 177.39 176.19 2gr9 n SER 109 N -2.91 0.05 -0.06 -1.43 7.64 -1.24 -1.01 113.62 114.65 2gr9 n SER 109 Ca -0.31 0.52 0.16 0.00 1.01 0.00 0.00 58.87 60.25 2gr9 n SER 109 Cb 0.88 -0.53 0.87 0.00 -1.01 0.00 0.00 64.21 64.43 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 -1.52 2.66 -0.70 -0.43 0.00 -1.26 -4.38 120.51 114.88 2gr9 n ALA 110 Ca 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2gr9 n ALA 110 Cb 0.09 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 -0.87 0.00 -1.92 0.00 3.01 -0.18 -5.09 117.46 112.41 2gr9 n PHE 111 Ca 0.22 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.38 2gr9 n PHE 111 Cb 0.16 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.64 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 -0.30 3.55 0.00 -1.08 6.06 -1.13 -5.00 118.95 121.04 2gr9 s ARG 112 Ca 0.00 0.70 0.00 0.00 -2.50 0.00 0.00 55.73 53.93 2gr9 s ARG 112 Cb 0.00 -2.09 0.00 0.00 0.06 0.00 0.00 34.95 32.92 2gr9 s ARG 112 CO 0.00 -0.58 0.00 -2.30 -2.50 0.00 0.00 175.30 169.92 2gr9 n PRO 113 N -2.74 0.00 -3.88 5.12 -0.02 -1.26 -4.48 135.00 127.75 2gr9 n PRO 113 Ca 0.06 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.24 2gr9 n PRO 113 Cb 0.54 -0.32 -0.14 0.00 -0.02 0.00 0.00 33.50 33.56 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 -2.90 2.88 -0.01 3.55 0.00 -1.26 -4.80 121.76 119.22 2gr9 s ALA 114 Ca 0.00 -2.98 -0.30 0.00 0.00 0.00 0.00 51.96 48.68 2gr9 s ALA 114 Cb 0.00 -2.05 -0.07 0.00 0.00 0.00 0.00 23.12 21.00 2gr9 s ALA 114 CO 0.00 -2.00 1.70 -1.25 0.00 0.00 0.00 175.76 174.20 2gr9 s PRO 115 N 0.03 4.18 -0.53 0.00 0.04 -1.26 -4.95 135.00 132.51 2gr9 s PRO 115 Ca 0.17 2.28 -0.28 0.00 0.04 0.00 0.00 61.00 63.20 2gr9 s PRO 115 Cb -0.25 -3.93 0.02 0.00 0.04 0.00 0.00 34.50 30.39 2gr9 s PRO 115 CO -0.01 -0.84 1.24 1.03 0.04 0.00 0.00 177.00 178.47 2gr9 s ARG 116 N 3.80 3.54 -0.09 4.56 0.52 -1.26 -4.68 118.95 125.33 2gr9 s ARG 116 Ca 0.76 0.45 0.03 0.00 -0.52 0.00 0.00 55.73 56.44 2gr9 s ARG 116 Cb -0.36 -4.01 0.01 0.00 0.52 0.00 0.00 34.95 31.11 2gr9 s ARG 116 CO 0.32 -1.64 -0.17 0.08 0.02 0.00 0.00 175.30 173.91 2gr9 s VAL 117 N 5.08 1.52 -0.22 3.52 1.01 -1.26 -0.91 120.40 129.15 2gr9 s VAL 117 Ca 0.48 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.78 2gr9 s VAL 117 Cb -0.09 -1.36 0.05 0.00 0.00 0.00 0.00 36.38 34.98 2gr9 s VAL 117 CO 0.28 0.44 -0.09 0.27 0.00 0.00 0.00 175.10 176.00 2gr9 s ILE 118 N 0.68 1.69 0.41 2.22 -0.00 -0.92 -3.71 121.20 121.57 2gr9 s ILE 118 Ca -0.13 -1.18 -0.24 0.00 -0.00 0.00 0.00 60.65 59.10 2gr9 s ILE 118 Cb -0.16 -1.83 -0.08 0.00 -0.00 0.00 0.00 42.46 40.38 2gr9 s ILE 118 CO 0.03 0.05 1.10 -0.60 -0.00 0.00 0.00 174.94 175.52 2gr9 s ARG 119 N 1.35 4.05 -0.06 0.37 3.52 -1.13 -2.98 118.95 124.07 2gr9 s ARG 119 Ca -0.04 1.63 -0.18 0.00 -0.13 0.00 0.00 55.73 57.01 2gr9 s ARG 119 Cb -0.18 -2.54 0.04 0.00 -1.56 0.00 0.00 34.95 30.71 2gr9 s ARG 119 CO -0.07 -0.26 0.42 0.00 -0.81 0.00 0.00 175.30 174.57 2gr9 s MET 121 N -0.86 2.02 0.23 0.00 1.75 0.25 -3.76 119.30 118.94 2gr9 s MET 121 Ca -0.09 -0.79 -0.17 0.00 -1.25 0.00 0.00 55.69 53.39 2gr9 s MET 121 Cb -0.04 -1.83 0.02 0.00 2.84 0.00 0.00 34.83 35.82 2gr9 s MET 121 CO 0.04 0.40 0.57 0.95 -0.65 0.00 0.00 175.02 176.33 2gr9 s THR 122 N -0.30 0.01 0.54 10.11 -4.23 -1.26 -0.10 115.64 120.42 2gr9 s THR 122 Ca 0.02 -1.01 0.03 0.00 -1.18 0.00 0.00 61.69 59.56 2gr9 s THR 122 Cb -0.11 -1.87 0.03 0.00 1.34 0.00 0.00 72.50 71.89 2gr9 s THR 122 CO 0.01 -0.05 0.26 0.54 -0.54 0.00 0.00 174.62 174.84 2gr9 s ASN 123 N -2.93 4.44 0.14 3.99 2.20 -1.15 -5.00 114.94 116.64 2gr9 s ASN 123 Ca 0.13 -1.44 -0.14 0.00 -0.94 0.00 0.00 52.86 50.48 2gr9 s ASN 123 Cb -0.02 0.56 0.02 0.00 -2.00 0.00 0.00 41.25 39.81 2gr9 s ASN 123 CO 0.03 -1.06 1.67 0.74 -2.94 0.00 0.00 177.10 175.54 2gr9 h THR 124 N 0.93 1.23 0.00 0.54 2.02 -1.93 -3.13 112.91 112.56 2gr9 h THR 124 Ca -0.39 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.04 2gr9 h THR 124 Cb 1.31 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 2gr9 h THR 124 CO 0.63 0.27 0.00 -0.81 0.37 0.00 0.00 175.52 175.98 2gr9 n PRO 125 N -4.53 0.00 0.15 6.66 -0.04 -1.26 0.15 135.00 136.13 2gr9 n PRO 125 Ca 0.01 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.60 2gr9 n PRO 125 Cb 0.19 -0.97 0.32 0.00 -0.04 0.00 0.00 33.50 33.00 2gr9 n PRO 125 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2gr9 h VAL 126 N 0.00 0.00 -0.04 0.52 -1.51 -1.74 -2.48 116.25 111.01 2gr9 h VAL 126 Ca 0.00 -0.67 0.01 0.00 -1.23 0.00 0.00 66.70 64.82 2gr9 h VAL 126 Cb 0.00 1.66 -0.00 0.00 -2.13 0.00 0.00 31.29 30.82 2gr9 h VAL 126 CO 0.00 0.00 0.26 0.58 -1.23 0.00 0.00 177.57 177.18 2gr9 h VAL 127 N 0.00 0.06 -4.84 7.19 2.07 -0.48 -3.39 116.25 116.86 2gr9 h VAL 127 Ca 0.00 0.00 -0.53 0.00 0.82 0.00 0.00 66.70 66.99 2gr9 h VAL 127 Cb 0.83 0.75 -0.10 0.00 -1.52 0.00 0.00 31.29 31.25 2gr9 h VAL 127 CO 0.00 0.00 -0.39 0.52 0.02 0.00 0.00 177.57 177.72 2gr9 n VAL 128 N -3.05 0.00 1.90 2.57 0.31 -0.95 -4.63 118.33 114.48 2gr9 n VAL 128 Ca -0.01 -1.93 0.06 0.00 -0.01 0.00 0.00 64.34 62.44 2gr9 n VAL 128 Cb 0.33 0.41 0.35 0.00 -0.91 0.00 0.00 33.84 34.01 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 -1.00 0.95 -3.04 5.55 0.63 -1.26 -4.33 116.66 114.15 2gr9 n ARG 129 Ca -0.16 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.42 2gr9 n ARG 129 Cb 0.52 -1.19 -0.03 0.00 0.45 0.00 0.00 32.46 32.21 2gr9 n ARG 129 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2gr9 n GLU 130 N -0.69 3.84 -4.92 -0.14 -0.58 -1.11 -1.62 120.64 115.42 2gr9 n GLU 130 Ca 0.09 -4.68 -0.32 0.00 -0.42 0.00 0.00 57.16 51.83 2gr9 n GLU 130 Cb 0.04 -2.37 -0.14 0.00 -0.57 0.00 0.00 31.44 28.40 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 -2.27 1.48 -0.18 0.62 0.00 -1.08 -4.34 107.32 101.54 2gr9 s GLY 131 Ca 0.39 -1.08 -0.22 0.00 0.00 0.00 0.00 44.72 43.81 2gr9 s GLY 131 CO -0.02 -0.91 0.68 0.00 0.00 0.00 0.00 173.10 172.84 2gr9 s ALA 132 N -0.76 3.53 -0.05 3.20 0.00 -1.26 -0.47 121.76 125.95 2gr9 s ALA 132 Ca 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.91 2gr9 s ALA 132 Cb -0.10 -3.03 0.02 0.00 0.00 0.00 0.00 23.12 20.01 2gr9 s ALA 132 CO 0.02 -0.56 -0.02 0.95 0.00 0.00 0.00 175.76 176.15 2gr9 s THR 133 N 1.91 0.43 -0.00 0.00 -4.23 -0.59 -2.95 115.64 110.21 2gr9 s THR 133 Ca 0.31 -0.02 0.02 0.00 -1.18 0.00 0.00 61.69 60.82 2gr9 s THR 133 Cb -0.16 -0.50 -0.00 0.00 1.34 0.00 0.00 72.50 73.17 2gr9 s THR 133 CO 0.11 0.22 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.66 2gr9 s VAL 134 N 1.20 0.47 0.43 2.29 1.01 0.86 -3.34 120.40 123.32 2gr9 s VAL 134 Ca -0.07 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 61.68 2gr9 s VAL 134 Cb -0.14 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 2gr9 s VAL 134 CO -0.02 0.13 0.11 -0.72 0.00 0.00 0.00 175.10 174.60 2gr9 s TYR 135 N -0.15 1.80 -0.15 5.22 -0.85 -1.16 0.87 117.35 122.93 2gr9 s TYR 135 Ca 0.02 -1.23 -0.08 0.00 -0.52 0.00 0.00 57.07 55.27 2gr9 s TYR 135 Cb -0.02 -1.25 0.06 0.00 0.38 0.00 0.00 41.96 41.13 2gr9 s TYR 135 CO -0.00 -0.20 0.36 0.00 -1.52 0.00 0.00 175.55 174.19 2gr9 s ALA 136 N -3.14 -0.89 -0.39 9.51 0.00 -0.35 -2.26 121.76 124.24 2gr9 s ALA 136 Ca 0.20 1.35 -0.14 0.00 0.00 0.00 0.00 51.96 53.37 2gr9 s ALA 136 Cb 0.02 -0.89 0.02 0.00 0.00 0.00 0.00 23.12 22.27 2gr9 s ALA 136 CO 0.12 -0.31 0.27 0.95 0.00 0.00 0.00 175.76 176.80 2gr9 s THR 137 N 1.53 5.11 -0.12 0.00 -4.23 -1.26 -2.85 115.64 113.81 2gr9 s THR 137 Ca -0.08 -0.65 -0.02 0.00 -1.18 0.00 0.00 61.69 59.76 2gr9 s THR 137 Cb -0.09 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 69.90 2gr9 s THR 137 CO -0.11 -0.26 -0.06 -0.83 -0.54 0.00 0.00 174.62 172.82 2gr9 s GLY 138 N 1.66 1.69 0.00 3.99 0.00 -1.24 -4.93 107.32 108.49 2gr9 s GLY 138 Ca 0.04 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.92 2gr9 s GLY 138 CO 0.09 -0.29 0.00 -1.30 0.00 0.00 0.00 173.10 171.60 2gr9 n THR 139 N 3.06 0.00 -0.59 0.90 -2.24 -1.26 -3.91 114.28 110.23 2gr9 n THR 139 Ca -0.18 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.43 2gr9 n THR 139 Cb 0.53 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.74 2gr9 n THR 139 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2gr9 n HIS 140 N 0.00 1.03 -3.70 4.78 8.25 -1.26 -4.73 115.22 119.59 2gr9 n HIS 140 Ca 0.00 -1.62 -0.11 0.00 -0.26 0.00 0.00 57.72 55.72 2gr9 n HIS 140 Cb 0.00 -1.44 -0.12 0.00 1.12 0.00 0.00 29.99 29.55 2gr9 n HIS 140 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gr9 s ALA 141 N 3.57 -0.79 0.58 -1.41 0.00 -1.25 -4.02 121.76 118.45 2gr9 s ALA 141 Ca 0.32 1.23 -0.01 0.00 0.00 0.00 0.00 51.96 53.50 2gr9 s ALA 141 Cb 0.09 -0.85 0.05 0.00 0.00 0.00 0.00 23.12 22.41 2gr9 s ALA 141 CO -0.03 -0.32 0.33 1.04 0.00 0.00 0.00 175.76 176.78 2gr9 n GLN 142 N 4.47 0.25 -0.01 0.00 6.02 -1.26 -4.89 117.38 121.97 2gr9 n GLN 142 Ca -0.21 -0.80 0.03 0.00 -0.01 0.00 0.00 57.00 56.01 2gr9 n GLN 142 Cb 0.53 -0.24 0.18 0.00 1.02 0.00 0.00 30.24 31.72 2gr9 n GLN 142 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2gr9 n VAL 143 N -1.97 0.02 -0.21 5.09 0.31 -1.26 -2.10 118.33 118.21 2gr9 n VAL 143 Ca 0.05 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 2gr9 n VAL 143 Cb 0.18 -0.08 0.00 0.00 -0.91 0.00 0.00 33.84 33.03 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 -0.55 1.45 0.00 5.55 1.02 -1.26 -4.56 120.64 122.29 2gr9 n GLU 144 Ca 0.05 -0.20 0.13 0.00 -0.02 0.00 0.00 57.16 57.12 2gr9 n GLU 144 Cb 0.03 -0.63 0.39 0.00 -0.02 0.00 0.00 31.44 31.22 2gr9 n GLU 144 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2gr9 n ASP 145 N -0.26 0.77 -0.00 1.62 10.43 -0.89 -3.84 116.55 124.37 2gr9 n ASP 145 Ca 0.00 -0.63 0.01 0.00 2.57 0.00 0.00 54.79 56.73 2gr9 n ASP 145 Cb 0.05 0.11 -0.01 0.00 1.84 0.00 0.00 41.12 43.11 2gr9 n ASP 145 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2gr9 n GLY 146 N 1.37 0.50 0.07 0.44 0.00 -1.25 -4.64 105.19 101.68 2gr9 n GLY 146 Ca 0.11 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 2gr9 n GLY 146 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2gr9 h ARG 147 N 0.00 0.06 -0.39 1.61 2.43 -1.80 -2.64 114.38 113.64 2gr9 h ARG 147 Ca 0.00 -0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.24 2gr9 h ARG 147 Cb 0.06 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 2gr9 h ARG 147 CO 0.00 0.65 0.28 1.25 -1.51 0.00 0.00 179.97 180.64 2gr9 h LEU 148 N -0.53 0.02 0.42 3.80 5.85 -1.84 -2.64 115.31 120.38 2gr9 h LEU 148 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2gr9 h LEU 148 Cb 0.66 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2gr9 h LEU 148 CO 0.01 0.01 -0.20 0.24 -0.34 0.00 0.00 178.44 178.16 2gr9 h MET 149 N 0.02 -0.54 -1.08 1.25 2.86 -1.80 0.32 114.93 115.95 2gr9 h MET 149 Ca 0.18 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2gr9 h MET 149 Cb 0.71 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.49 2gr9 h MET 149 CO -0.01 -0.26 0.00 0.39 1.06 0.00 0.00 176.91 178.10 2gr9 n GLU 150 N -5.17 0.55 0.00 1.72 1.02 -1.01 -1.66 120.64 116.10 2gr9 n GLU 150 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 2gr9 n GLU 150 Cb 0.28 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 2gr9 n GLU 150 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2gr9 n GLN 151 N 0.52 0.00 0.17 3.49 6.02 -1.15 -4.49 117.38 121.94 2gr9 n GLN 151 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 2gr9 n GLN 151 Cb 0.22 -0.46 -0.06 0.00 1.02 0.00 0.00 30.24 30.96 2gr9 n GLN 151 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2gr9 h LEU 152 N 0.00 -0.43 0.00 1.08 5.85 0.58 -3.34 115.31 119.06 2gr9 h LEU 152 Ca 0.00 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.55 2gr9 h LEU 152 Cb 0.00 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2gr9 h LEU 152 CO 0.00 0.02 -0.92 -0.07 -0.34 0.00 0.00 178.44 177.13 2gr9 h LEU 153 N -1.05 0.00 0.00 2.25 3.38 -1.57 -3.33 115.31 114.99 2gr9 h LEU 153 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2gr9 h LEU 153 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2gr9 h LEU 153 CO 0.08 0.31 0.00 -0.24 0.09 0.00 0.00 178.44 178.68 2gr9 n SER 154 N -2.92 0.00 -0.03 -0.43 2.88 -1.23 -0.81 113.62 111.08 2gr9 n SER 154 Ca -0.03 0.20 0.04 0.00 -1.33 0.00 0.00 58.87 57.76 2gr9 n SER 154 Cb 0.69 -0.20 -0.15 0.00 -0.75 0.00 0.00 64.21 63.80 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 -1.20 0.55 -2.11 -3.46 3.41 -1.25 -4.42 113.62 105.14 2gr9 n SER 155 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 2gr9 n SER 155 Cb 0.00 1.61 0.10 0.00 -0.26 0.00 0.00 64.21 65.66 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 -2.32 3.22 -0.41 -3.33 0.31 0.01 -4.91 118.33 110.91 2gr9 n VAL 156 Ca -0.11 -2.96 0.00 0.00 -0.01 0.00 0.00 64.34 61.26 2gr9 n VAL 156 Cb 0.68 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 32.69 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 -0.95 0.40 3.90 2.92 0.00 -0.64 -3.22 105.19 107.59 2gr9 n GLY 157 Ca 0.55 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.83 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 -3.68 3.46 -0.27 1.61 5.36 0.39 -4.76 117.98 120.08 2gr9 s PHE 158 Ca 0.00 0.61 -0.24 0.00 -0.96 0.00 0.00 56.93 56.34 2gr9 s PHE 158 Cb 0.00 -2.05 0.09 0.00 -0.34 0.00 0.00 43.02 40.72 2gr9 s PHE 158 CO 0.00 0.38 0.80 0.00 -1.46 0.00 0.00 175.22 174.94 2gr9 s THR 160 N 0.50 0.00 -0.04 0.00 2.01 -1.21 -5.00 115.64 111.90 2gr9 s THR 160 Ca -0.01 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.62 2gr9 s THR 160 Cb -0.05 -1.99 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 2gr9 s THR 160 CO -0.03 0.00 -0.01 -1.83 -0.69 0.00 0.00 174.62 172.06 2gr9 s GLU 161 N -2.73 2.85 -0.05 4.92 -1.05 -1.26 -3.01 118.70 118.37 2gr9 s GLU 161 Ca 0.13 -0.54 -0.09 0.00 -0.15 0.00 0.00 54.97 54.33 2gr9 s GLU 161 Cb 0.03 -2.70 0.02 0.00 -0.44 0.00 0.00 34.13 31.03 2gr9 s GLU 161 CO -0.02 0.66 0.22 0.14 0.95 0.00 0.00 175.26 177.21 2gr9 s VAL 162 N -0.99 0.03 0.97 1.83 -7.23 -0.96 -4.98 120.40 109.07 2gr9 s VAL 162 Ca 0.17 -0.28 -0.14 0.00 -1.81 0.00 0.00 61.98 59.92 2gr9 s VAL 162 Cb -0.11 -0.41 -0.03 0.00 0.56 0.00 0.00 36.38 36.38 2gr9 s VAL 162 CO 0.07 -0.15 -0.04 -0.62 -0.31 0.00 0.00 175.10 174.04 2gr9 n GLU 163 N 2.23 -0.21 0.00 4.82 1.02 -1.26 -4.39 120.64 122.85 2gr9 n GLU 163 Ca -0.17 -0.03 0.09 0.00 -0.02 0.00 0.00 57.16 57.02 2gr9 n GLU 163 Cb 0.57 -1.55 0.40 0.00 -0.02 0.00 0.00 31.44 30.84 2gr9 n GLU 163 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2gr9 n GLU 164 N -0.19 0.01 0.20 3.49 2.13 -1.26 -2.14 120.64 122.88 2gr9 n GLU 164 Ca 0.03 0.18 0.08 0.00 0.66 0.00 0.00 57.16 58.11 2gr9 n GLU 164 Cb 0.55 -1.50 0.32 0.00 0.27 0.00 0.00 31.44 31.08 2gr9 n GLU 164 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 2gr9 h ASP 165 N 0.00 0.00 0.17 4.31 -0.00 -2.03 -3.22 116.42 115.66 2gr9 h ASP 165 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.03 56.74 2gr9 h ASP 165 Cb 0.31 0.00 0.02 0.00 -0.00 0.00 0.00 39.33 39.66 2gr9 h ASP 165 CO 0.00 0.29 -1.35 -0.07 -0.00 0.00 0.00 179.24 178.11 2gr9 h LEU 166 N 0.00 0.58 -1.07 0.15 3.38 -1.75 -3.37 115.31 113.23 2gr9 h LEU 166 Ca -0.00 -0.92 0.36 0.00 0.09 0.00 0.00 57.88 57.41 2gr9 h LEU 166 Cb 0.93 -0.19 -0.15 0.00 0.09 0.00 0.00 40.66 41.35 2gr9 h LEU 166 CO 0.04 1.62 0.60 0.40 0.09 0.00 0.00 178.44 181.20 2gr9 h ILE 167 N -0.12 0.22 -0.52 1.22 2.04 -1.55 0.68 117.51 119.48 2gr9 h ILE 167 Ca -0.26 -0.08 -0.09 0.00 1.00 0.00 0.00 64.86 65.43 2gr9 h ILE 167 Cb 1.91 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 2gr9 h ILE 167 CO 0.16 0.04 -0.03 0.44 0.00 0.00 0.00 178.15 178.76 2gr9 h ASP 168 N 0.23 0.89 0.30 1.72 3.32 -1.72 -1.09 116.42 120.06 2gr9 h ASP 168 Ca 0.77 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.55 2gr9 h ASP 168 Cb 1.91 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 41.23 2gr9 h ASP 168 CO -0.61 0.97 -0.14 0.00 -1.72 0.00 0.00 179.24 177.74 2gr9 h ALA 169 N 1.12 -0.89 -0.66 3.45 0.00 0.09 -3.13 119.26 119.24 2gr9 h ALA 169 Ca 0.15 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.11 2gr9 h ALA 169 Cb 0.54 0.16 -0.12 0.00 0.00 0.00 0.00 17.79 18.36 2gr9 h ALA 169 CO 0.03 -0.86 -0.16 0.28 0.00 0.00 0.00 179.25 178.54 2gr9 n VAL 170 N -3.31 -0.28 -0.30 0.00 0.31 -0.07 0.31 118.33 114.99 2gr9 n VAL 170 Ca -0.05 1.50 0.30 0.00 -0.01 0.00 0.00 64.34 66.09 2gr9 n VAL 170 Cb 0.16 -2.09 0.67 0.00 -0.91 0.00 0.00 33.84 31.67 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 0.46 0.07 2.52 2.02 -1.14 0.34 112.91 117.18 2gr9 h THR 171 Ca 0.32 -0.04 -0.24 0.00 0.77 0.00 0.00 66.41 67.21 2gr9 h THR 171 Cb 0.50 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 2gr9 h THR 171 CO -0.67 0.02 -1.09 1.23 0.37 0.00 0.00 175.52 175.38 2gr9 h GLY 172 N 0.12 0.30 0.00 2.16 0.00 0.47 -0.78 103.07 105.34 2gr9 h GLY 172 Ca 0.55 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2gr9 h GLY 172 CO -0.10 0.58 0.00 -0.10 0.00 0.00 0.00 176.54 176.92 2gr9 n LEU 173 N -3.59 0.00 0.24 3.11 7.94 0.11 -3.88 117.00 120.92 2gr9 n LEU 173 Ca -0.06 0.00 0.16 0.00 -1.11 0.00 0.00 56.01 54.99 2gr9 n LEU 173 Cb 0.93 0.00 0.84 0.00 0.53 0.00 0.00 43.42 45.72 2gr9 n LEU 173 CO 0.52 0.00 0.98 0.77 -1.11 0.00 0.00 177.39 178.54 2gr9 h SER 174 N 0.00 0.00 0.00 1.96 4.64 -1.70 0.24 113.55 118.69 2gr9 h SER 174 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 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 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2gr9 n GLY 175 N -1.21 -2.75 0.09 -0.77 0.00 -0.47 -3.92 105.19 96.16 2gr9 n GLY 175 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 2gr9 n GLY 175 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2gr9 n SER 176 N -0.67 0.70 -0.01 1.61 7.64 -0.34 -4.44 113.62 118.12 2gr9 n SER 176 Ca 0.00 0.51 -0.00 0.00 1.01 0.00 0.00 58.87 60.38 2gr9 n SER 176 Cb 0.00 -0.64 -0.00 0.00 -1.01 0.00 0.00 64.21 62.55 2gr9 n SER 176 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gr9 n GLY 177 N 1.34 -1.05 0.51 0.23 0.00 0.83 0.97 105.19 108.02 2gr9 n GLY 177 Ca 0.05 0.21 0.41 0.00 0.00 0.00 0.00 46.02 46.70 2gr9 n GLY 177 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2gr9 n PRO 178 N -2.45 -0.02 0.21 1.61 -0.02 -1.26 0.24 135.00 133.30 2gr9 n PRO 178 Ca 0.00 1.11 0.12 0.00 -2.02 0.00 0.00 63.50 62.71 2gr9 n PRO 178 Cb 0.00 -2.30 0.15 0.00 -0.02 0.00 0.00 33.50 31.34 2gr9 n PRO 178 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gr9 h ALA 179 N 1.29 0.95 0.25 3.55 0.00 0.29 -1.30 119.26 124.29 2gr9 h ALA 179 Ca 0.83 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.73 2gr9 h ALA 179 Cb 2.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.71 2gr9 h ALA 179 CO -0.29 0.00 -0.12 1.88 0.00 0.00 0.00 179.25 180.72 2gr9 h TYR 180 N 0.00 -0.31 -0.27 0.00 0.99 0.32 -3.07 116.97 114.63 2gr9 h TYR 180 Ca 0.00 -0.01 0.06 0.00 2.00 0.00 0.00 58.73 60.78 2gr9 h TYR 180 Cb 1.00 0.10 -0.08 0.00 1.00 0.00 0.00 36.73 38.75 2gr9 h TYR 180 CO 0.00 0.01 -0.34 0.00 -0.00 0.00 0.00 178.16 177.83 2gr9 h ALA 181 N -0.64 -0.32 -1.01 3.88 0.00 -1.46 0.90 119.26 120.61 2gr9 h ALA 181 Ca -0.03 0.06 0.29 0.00 0.00 0.00 0.00 54.91 55.23 2gr9 h ALA 181 Cb 0.47 0.69 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 2gr9 h ALA 181 CO 0.06 -0.78 0.78 0.74 0.00 0.00 0.00 179.25 180.05 2gr9 h PHE 182 N -0.34 0.00 0.09 0.00 0.05 -1.31 0.26 116.94 115.69 2gr9 h PHE 182 Ca 0.13 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.91 2gr9 h PHE 182 Cb 0.55 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.50 2gr9 h PHE 182 CO -0.49 0.00 -0.04 1.15 -0.18 0.00 0.00 178.31 178.75 2gr9 h THR 183 N 0.00 0.78 0.00 -1.55 2.02 -0.77 -3.01 112.91 110.39 2gr9 h THR 183 Ca 0.48 -1.36 0.00 0.00 0.77 0.00 0.00 66.41 66.30 2gr9 h THR 183 Cb 2.04 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 69.86 2gr9 h THR 183 CO -0.01 0.24 0.17 0.00 0.37 0.00 0.00 175.52 176.30 2gr9 h ALA 184 N -0.49 1.17 0.00 6.16 0.00 0.19 0.23 119.26 126.53 2gr9 h ALA 184 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2gr9 h ALA 184 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2gr9 h ALA 184 CO 0.02 -0.17 -0.73 -0.07 0.00 0.00 0.00 179.25 178.30 2gr9 h LEU 185 N 0.00 0.00 0.00 0.00 3.38 -0.58 -1.75 115.31 116.37 2gr9 h LEU 185 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2gr9 h LEU 185 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2gr9 h LEU 185 CO 0.00 0.14 -0.49 -0.67 0.09 0.00 0.00 178.44 177.51 2gr9 n ASP 186 N -2.88 0.58 -0.02 -0.43 2.03 0.02 -2.69 116.55 113.15 2gr9 n ASP 186 Ca -0.00 0.07 -0.01 0.00 0.52 0.00 0.00 54.79 55.37 2gr9 n ASP 186 Cb 0.61 0.06 -0.00 0.00 -0.72 0.00 0.00 41.12 41.07 2gr9 n ASP 186 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2gr9 h ALA 187 N 2.71 0.00 -0.96 -1.67 0.00 -1.38 -3.34 119.26 114.63 2gr9 h ALA 187 Ca 0.00 -0.28 0.16 0.00 0.00 0.00 0.00 54.91 54.80 2gr9 h ALA 187 Cb 0.65 0.12 -0.16 0.00 0.00 0.00 0.00 17.79 18.39 2gr9 h ALA 187 CO 0.00 0.12 -0.33 1.28 0.00 0.00 0.00 179.25 180.31 2gr9 n LEU 188 N -2.88 -0.54 -2.05 0.00 4.77 -0.66 0.13 117.00 115.77 2gr9 n LEU 188 Ca -0.02 1.67 -0.10 0.00 -0.03 0.00 0.00 56.01 57.53 2gr9 n LEU 188 Cb 0.06 -0.42 -0.15 0.00 -2.33 0.00 0.00 43.42 40.58 2gr9 n LEU 188 CO 0.02 -1.53 1.48 0.00 -1.33 0.00 0.00 177.39 176.03 2gr9 n ALA 189 N -3.54 5.72 0.00 -1.18 0.00 -1.10 -0.97 120.51 119.45 2gr9 n ALA 189 Ca 0.12 -1.59 0.00 0.00 0.00 0.00 0.00 53.44 51.97 2gr9 n ALA 189 Cb 0.41 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.58 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 2.54 0.00 0.19 0.00 10.43 0.35 -4.69 116.55 125.37 2gr9 n ASP 190 Ca 0.37 0.00 -0.11 0.00 2.57 0.00 0.00 54.79 57.62 2gr9 n ASP 190 Cb 0.81 0.03 -0.06 0.00 1.84 0.00 0.00 41.12 43.73 2gr9 n ASP 190 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 2gr9 h GLY 191 N 0.00 -0.57 -0.52 0.44 0.00 -0.33 0.15 103.07 102.24 2gr9 h GLY 191 Ca 0.00 0.21 0.18 0.00 0.00 0.00 0.00 47.33 47.72 2gr9 h GLY 191 CO 0.00 -0.21 -0.04 -1.33 0.00 0.00 0.00 176.54 174.96 2gr9 h GLY 192 N -1.03 0.84 0.94 4.60 0.00 -1.28 0.99 103.07 108.13 2gr9 h GLY 192 Ca -0.06 0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.44 2gr9 h GLY 192 CO 0.09 -0.33 -0.01 -2.08 0.00 0.00 0.00 176.54 174.21 2gr9 h VAL 193 N 0.06 0.96 -0.97 4.60 2.07 -1.73 -1.70 116.25 119.55 2gr9 h VAL 193 Ca 0.43 0.00 0.28 0.00 0.82 0.00 0.00 66.70 68.23 2gr9 h VAL 193 Cb 0.76 0.96 -0.14 0.00 -1.52 0.00 0.00 31.29 31.36 2gr9 h VAL 193 CO -0.75 0.00 0.50 0.50 0.02 0.00 0.00 177.57 177.85 2gr9 h LYS 194 N -0.01 0.36 -0.02 1.57 3.64 0.39 0.60 116.57 123.10 2gr9 h LYS 194 Ca 0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2gr9 h LYS 194 Cb 0.03 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2gr9 h LYS 194 CO -0.03 0.24 0.00 -1.33 -2.27 0.00 0.00 179.45 176.06 2gr9 n MET 195 N -5.04 1.05 0.00 1.90 2.81 0.00 -4.95 117.12 112.89 2gr9 n MET 195 Ca 0.28 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 56.09 2gr9 n MET 195 Cb 0.85 -1.16 0.00 0.00 -0.71 0.00 0.00 33.22 32.20 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 0.68 2.16 0.74 3.03 0.00 0.21 -5.06 105.19 106.94 2gr9 n GLY 196 Ca 0.08 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.71 -4.74 0.99 4.77 -1.20 -4.85 117.00 111.26 2gr9 n LEU 197 Ca 0.00 0.17 -0.40 0.00 -0.03 0.00 0.00 56.01 55.75 2gr9 n LEU 197 Cb 0.00 -0.20 -0.05 0.00 -2.33 0.00 0.00 43.42 40.84 2gr9 n LEU 197 CO 0.00 -0.99 0.65 -2.16 -1.33 0.00 0.00 177.39 173.56 2gr9 s PRO 198 N -0.22 4.80 0.25 3.23 0.04 -1.26 -4.35 135.00 137.48 2gr9 s PRO 198 Ca 0.13 1.47 -0.11 0.00 0.04 0.00 0.00 61.00 62.53 2gr9 s PRO 198 Cb -0.13 -3.31 0.35 0.00 0.04 0.00 0.00 34.50 31.45 2gr9 s PRO 198 CO 0.14 0.42 1.47 -2.13 0.04 0.00 0.00 177.00 176.94 2gr9 n ARG 199 N 1.94 -0.14 -0.10 4.56 3.00 -1.26 -1.12 116.66 123.53 2gr9 n ARG 199 Ca -0.01 1.47 -0.09 0.00 -0.00 0.00 0.00 57.85 59.23 2gr9 n ARG 199 Cb 0.48 -2.19 -0.01 0.00 0.00 0.00 0.00 32.46 30.74 2gr9 n ARG 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2gr9 h ARG 200 N 0.00 0.45 -0.14 -0.14 3.08 -1.97 -2.00 114.38 113.66 2gr9 h ARG 200 Ca 0.40 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.36 2gr9 h ARG 200 Cb 0.64 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 2gr9 h ARG 200 CO -0.96 0.31 -0.21 1.25 -1.07 0.00 0.00 179.97 179.29 2gr9 h LEU 201 N 0.46 0.23 0.69 3.04 5.85 -1.51 -2.27 115.31 121.79 2gr9 h LEU 201 Ca 0.12 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 2gr9 h LEU 201 Cb -0.04 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 40.93 2gr9 h LEU 201 CO -0.03 0.45 -0.33 0.00 -0.34 0.00 0.00 178.44 178.19 2gr9 h ALA 202 N 1.58 -0.93 -0.12 1.25 0.00 -0.77 -1.38 119.26 118.88 2gr9 h ALA 202 Ca 0.04 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.78 2gr9 h ALA 202 Cb 0.49 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 2gr9 h ALA 202 CO 0.03 -0.99 -0.35 0.28 0.00 0.00 0.00 179.25 178.22 2gr9 h VAL 203 N -0.99 0.24 -0.85 0.00 2.07 -1.22 -0.03 116.25 115.47 2gr9 h VAL 203 Ca -0.10 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.47 2gr9 h VAL 203 Cb 0.73 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 2gr9 h VAL 203 CO 0.16 0.00 0.54 0.03 0.02 0.00 0.00 177.57 178.31 2gr9 h ARG 204 N -0.44 0.99 0.15 1.57 2.47 -1.43 0.19 114.38 117.88 2gr9 h ARG 204 Ca 0.09 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 2gr9 h ARG 204 Cb 0.58 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 2gr9 h ARG 204 CO -0.36 0.66 -0.07 -0.07 0.56 0.00 0.00 179.97 180.68 2gr9 h LEU 205 N 1.02 -0.17 0.01 3.04 3.38 -0.89 0.11 115.31 121.81 2gr9 h LEU 205 Ca 0.35 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 58.08 2gr9 h LEU 205 Cb 0.07 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 2gr9 h LEU 205 CO -0.14 0.19 -0.41 1.23 0.09 0.00 0.00 178.44 179.41 2gr9 h GLY 206 N -0.56 -0.76 -0.34 0.83 0.00 -0.88 0.82 103.07 102.18 2gr9 h GLY 206 Ca -0.02 0.50 0.03 0.00 0.00 0.00 0.00 47.33 47.84 2gr9 h GLY 206 CO 0.03 -0.25 -0.31 0.00 0.00 0.00 0.00 176.54 176.02 2gr9 h ALA 207 N -0.02 -0.46 -0.08 3.60 0.00 -0.94 0.54 119.26 121.90 2gr9 h ALA 207 Ca 0.05 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2gr9 h ALA 207 Cb 0.65 1.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 2gr9 h ALA 207 CO -0.31 -0.64 0.30 0.37 0.00 0.00 0.00 179.25 178.97 2gr9 h GLN 208 N -0.14 0.00 0.03 0.00 5.75 -0.34 0.53 115.11 120.94 2gr9 h GLN 208 Ca 0.06 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 2gr9 h GLN 208 Cb 0.29 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.84 2gr9 h GLN 208 CO -0.39 0.00 -0.01 0.00 -2.65 0.00 0.00 178.83 175.78 2gr9 h ALA 209 N 1.48 -0.03 -0.23 3.38 0.00 0.25 -1.79 119.26 122.31 2gr9 h ALA 209 Ca 0.04 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2gr9 h ALA 209 Cb 0.63 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2gr9 h ALA 209 CO -0.00 -0.09 0.13 -0.07 0.00 0.00 0.00 179.25 179.23 2gr9 h LEU 210 N -0.90 0.28 -0.55 0.00 3.38 -0.45 0.84 115.31 117.91 2gr9 h LEU 210 Ca -0.00 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.01 2gr9 h LEU 210 Cb 0.73 -0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.30 2gr9 h LEU 210 CO 0.01 0.27 -0.20 0.25 0.09 0.00 0.00 178.44 178.86 2gr9 h LEU 211 N 0.28 -0.70 -0.34 1.67 7.12 -1.01 0.89 115.31 123.22 2gr9 h LEU 211 Ca 0.08 0.18 -0.04 0.00 0.13 0.00 0.00 57.88 58.24 2gr9 h LEU 211 Cb 0.04 0.41 -0.01 0.00 -0.53 0.00 0.00 40.66 40.57 2gr9 h LEU 211 CO -0.01 -0.23 0.07 1.23 -0.13 0.00 0.00 178.44 179.37 2gr9 h GLY 212 N -0.06 0.61 -0.06 3.75 0.00 -0.87 -2.69 103.07 103.73 2gr9 h GLY 212 Ca 0.26 -0.39 0.02 0.00 0.00 0.00 0.00 47.33 47.22 2gr9 h GLY 212 CO -0.60 0.36 -0.53 0.00 0.00 0.00 0.00 176.54 175.78 2gr9 h ALA 213 N 0.91 -0.91 -0.02 3.60 0.00 0.88 0.16 119.26 123.88 2gr9 h ALA 213 Ca 0.11 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2gr9 h ALA 213 Cb 0.33 0.97 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 2gr9 h ALA 213 CO 0.00 -1.09 -0.47 0.00 0.00 0.00 0.00 179.25 177.69 2gr9 h ALA 214 N -0.40 -0.89 -0.87 0.00 0.00 -0.91 0.27 119.26 116.47 2gr9 h ALA 214 Ca 0.02 -0.07 0.18 0.00 0.00 0.00 0.00 54.91 55.04 2gr9 h ALA 214 Cb 0.68 0.91 -0.06 0.00 0.00 0.00 0.00 17.79 19.32 2gr9 h ALA 214 CO -0.39 -1.03 0.57 -0.22 0.00 0.00 0.00 179.25 178.18 2gr9 h LYS 215 N -0.58 0.43 0.09 0.00 3.64 -1.36 0.24 116.57 119.04 2gr9 h LYS 215 Ca 0.01 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2gr9 h LYS 215 Cb 0.63 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2gr9 h LYS 215 CO -0.33 0.29 -0.04 0.52 -2.27 0.00 0.00 179.45 177.62 2gr9 h MET 216 N 0.45 -0.11 -0.70 1.90 2.86 0.17 -2.17 114.93 117.32 2gr9 h MET 216 Ca 0.44 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 58.08 2gr9 h MET 216 Cb 1.03 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.69 2gr9 h MET 216 CO -0.17 0.07 0.39 1.25 1.06 0.00 0.00 176.91 179.51 2gr9 h LEU 217 N -0.28 0.86 0.00 1.22 5.85 0.16 -2.41 115.31 120.71 2gr9 h LEU 217 Ca -0.01 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2gr9 h LEU 217 Cb 0.23 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2gr9 h LEU 217 CO 0.02 0.69 0.00 0.18 -0.34 0.00 0.00 178.44 178.99 2gr9 n LEU 218 N -4.37 0.00 0.00 2.25 4.77 0.62 -2.85 117.00 117.42 2gr9 n LEU 218 Ca 0.07 1.00 0.01 0.00 -0.03 0.00 0.00 56.01 57.06 2gr9 n LEU 218 Cb 0.09 -0.50 0.04 0.00 -2.33 0.00 0.00 43.42 40.73 2gr9 n LEU 218 CO 0.38 -0.50 0.48 1.41 -1.33 0.00 0.00 177.39 177.83 2gr9 n HIS 219 N -2.01 0.00 -1.91 -1.77 8.25 -0.84 -4.73 115.22 112.21 2gr9 n HIS 219 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 2gr9 n HIS 219 Cb 0.00 -0.41 0.07 0.00 1.12 0.00 0.00 29.99 30.78 2gr9 n HIS 219 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2gr9 s SER 220 N -2.82 4.85 -0.01 0.41 0.15 -0.91 -4.97 113.70 110.40 2gr9 s SER 220 Ca 0.01 0.89 0.05 0.00 0.70 0.00 0.00 55.95 57.60 2gr9 s SER 220 Cb 0.01 -1.50 -0.07 0.00 -1.71 0.00 0.00 66.02 62.75 2gr9 s SER 220 CO 0.03 -1.70 0.11 1.21 1.20 0.00 0.00 173.24 174.10 2gr9 n GLU 221 N -3.20 0.71 -0.78 5.44 4.07 -1.26 -5.01 120.64 120.61 2gr9 n GLU 221 Ca 0.08 -0.04 -0.30 0.00 -0.06 0.00 0.00 57.16 56.84 2gr9 n GLU 221 Cb 0.60 -1.07 0.19 0.00 -0.06 0.00 0.00 31.44 31.10 2gr9 n GLU 221 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 2gr9 s GLN 222 N -2.23 0.35 0.06 5.31 -1.52 -1.26 -5.04 119.66 115.33 2gr9 s GLN 222 Ca -0.01 1.09 -0.11 0.00 -1.95 0.00 0.00 55.36 54.37 2gr9 s GLN 222 Cb 0.03 -1.68 -0.06 0.00 -0.22 0.00 0.00 33.01 31.08 2gr9 s GLN 222 CO 0.19 -2.94 0.40 -1.58 -0.25 0.00 0.00 175.29 171.12 2gr9 s HIS 223 N -2.65 3.63 0.42 0.91 5.65 -1.26 -4.97 115.29 117.01 2gr9 s HIS 223 Ca 0.66 0.86 0.23 0.00 0.25 0.00 0.00 55.06 57.06 2gr9 s HIS 223 Cb -0.22 -2.20 1.24 0.00 -1.18 0.00 0.00 32.58 30.21 2gr9 s HIS 223 CO 0.60 0.56 1.71 -1.35 -0.65 0.00 0.00 174.74 175.61 2gr9 h PRO 224 N 4.02 0.25 -0.11 2.88 0.11 -1.96 0.33 132.00 137.52 2gr9 h PRO 224 Ca -0.50 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 2gr9 h PRO 224 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2gr9 h PRO 224 CO 0.65 0.17 -0.22 0.78 -0.21 0.00 0.00 178.00 179.16 2gr9 h GLY 225 N 0.26 0.38 1.57 -0.55 0.00 -1.99 -1.48 103.07 101.27 2gr9 h GLY 225 Ca 0.68 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2gr9 h GLY 225 CO -0.34 0.41 0.20 -1.61 0.00 0.00 0.00 176.54 175.20 2gr9 h GLN 226 N -0.08 0.00 0.03 4.80 5.75 -0.74 0.27 115.11 125.14 2gr9 h GLN 226 Ca 0.00 0.00 -0.36 0.00 -0.15 0.00 0.00 58.65 58.14 2gr9 h GLN 226 Cb 0.81 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.31 2gr9 h GLN 226 CO 0.05 0.00 -2.20 1.28 -2.65 0.00 0.00 178.83 175.31 2gr9 n LEU 227 N -2.73 1.68 -0.09 -2.39 4.77 -0.78 -3.05 117.00 114.42 2gr9 n LEU 227 Ca -0.02 0.08 -0.07 0.00 -0.03 0.00 0.00 56.01 55.97 2gr9 n LEU 227 Cb 0.25 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2gr9 n LEU 227 CO 0.13 0.69 0.92 0.50 -1.33 0.00 0.00 177.39 178.31 2gr9 h LYS 228 N 0.02 0.22 -0.12 3.23 3.64 0.31 -1.09 116.57 122.77 2gr9 h LYS 228 Ca -0.48 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 58.93 2gr9 h LYS 228 Cb 2.05 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 33.76 2gr9 h LYS 228 CO 0.02 0.14 -0.25 -0.44 -2.27 0.00 0.00 179.45 176.65 2gr9 h ASP 229 N 0.22 -0.78 -0.94 4.20 5.19 -0.75 -2.28 116.42 121.28 2gr9 h ASP 229 Ca 0.14 0.12 0.18 0.00 -0.62 0.00 0.00 57.03 56.85 2gr9 h ASP 229 Cb 0.13 0.34 -0.08 0.00 0.18 0.00 0.00 39.33 39.90 2gr9 h ASP 229 CO -0.16 -0.30 0.60 0.78 -3.12 0.00 0.00 179.24 177.04 2gr9 h ASN 230 N -0.33 0.64 -0.22 6.45 4.21 -1.28 -2.19 115.58 122.87 2gr9 h ASN 230 Ca 0.10 0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.67 2gr9 h ASN 230 Cb 0.47 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.61 2gr9 h ASN 230 CO -0.31 0.27 0.00 0.52 -1.29 0.00 0.00 177.43 176.63 2gr9 n VAL 231 N -4.61 0.30 -4.94 2.81 0.31 -0.49 -4.87 118.33 106.84 2gr9 n VAL 231 Ca 0.20 -0.30 -0.33 0.00 -0.01 0.00 0.00 64.34 63.91 2gr9 n VAL 231 Cb 0.57 0.15 -0.15 0.00 -0.91 0.00 0.00 33.84 33.50 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 -1.02 3.75 -0.23 4.52 0.01 -0.82 -4.86 113.70 115.05 2gr9 s SER 232 Ca 0.16 -0.36 -0.09 0.00 1.31 0.00 0.00 55.95 56.97 2gr9 s SER 232 Cb 0.08 -1.30 -0.04 0.00 0.21 0.00 0.00 66.02 64.96 2gr9 s SER 232 CO 0.11 0.22 0.12 -0.44 0.41 0.00 0.00 173.24 173.65 2gr9 s SER 233 N 0.04 5.78 0.24 2.44 0.01 -1.26 -4.97 113.70 115.98 2gr9 s SER 233 Ca -0.06 0.03 0.04 0.00 1.31 0.00 0.00 55.95 57.27 2gr9 s SER 233 Cb -0.15 -2.03 0.65 0.00 0.21 0.00 0.00 66.02 64.70 2gr9 s SER 233 CO 0.05 0.06 1.19 -2.65 0.41 0.00 0.00 173.24 172.30 2gr9 n PRO 234 N 4.28 -0.06 0.00 12.44 -0.02 -1.26 -0.99 135.00 149.39 2gr9 n PRO 234 Ca -0.16 1.12 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 2gr9 n PRO 234 Cb 0.52 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 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 -1.35 -3.38 0.00 -1.23 0.00 -1.26 -4.98 105.19 92.99 2gr9 n GLY 235 Ca 0.20 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.82 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 -0.95 -0.67 5.00 -0.02 0.00 -0.16 -4.90 105.19 103.48 2gr9 n GLY 236 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 0.00 -0.02 4.61 0.00 -1.26 -4.21 120.51 119.63 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 0.15 0.00 -1.04 -1.26 -2.68 114.28 109.45 2gr9 n THR 238 Ca 0.00 0.49 0.17 0.00 -2.04 0.00 0.00 64.05 62.67 2gr9 n THR 238 Cb 0.00 -1.47 0.61 0.00 -1.82 0.00 0.00 70.33 67.65 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 0.14 0.11 12.58 6.09 -1.85 3.33 117.51 137.92 2gr9 h ILE 239 Ca 0.00 0.00 -0.27 0.00 -1.37 0.00 0.00 64.86 63.22 2gr9 h ILE 239 Cb 0.00 0.45 0.01 0.00 0.47 0.00 0.00 36.82 37.75 2gr9 h ILE 239 CO 0.00 0.00 -1.20 0.45 -3.07 0.00 0.00 178.15 174.33 2gr9 h HIS 240 N 0.00 0.65 -0.11 2.19 3.86 -1.82 -2.88 115.15 117.03 2gr9 h HIS 240 Ca 0.16 -0.43 -0.08 0.00 -1.16 0.00 0.00 60.37 58.85 2gr9 h HIS 240 Cb 1.40 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.83 2gr9 h HIS 240 CO 0.00 1.31 -0.25 0.00 0.86 0.00 0.00 177.93 179.84 2gr9 h ALA 241 N 0.53 0.18 -0.01 2.45 0.00 0.60 -3.21 119.26 119.81 2gr9 h ALA 241 Ca -0.14 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.39 2gr9 h ALA 241 Cb 1.89 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.60 2gr9 h ALA 241 CO 0.21 0.17 -0.48 -0.07 0.00 0.00 0.00 179.25 179.08 2gr9 h LEU 242 N -0.06 -1.49 -1.69 0.00 3.38 0.03 -0.19 115.31 115.29 2gr9 h LEU 242 Ca 0.00 0.17 0.52 0.00 0.09 0.00 0.00 57.88 58.66 2gr9 h LEU 242 Cb 0.85 0.57 -0.10 0.00 0.09 0.00 0.00 40.66 42.07 2gr9 h LEU 242 CO 0.06 -0.47 1.18 1.57 0.09 0.00 0.00 178.44 180.87 2gr9 n HIS 243 N -5.14 0.26 0.12 1.13 -0.00 -1.09 0.28 115.22 110.78 2gr9 n HIS 243 Ca -0.07 0.26 -0.01 0.00 0.46 0.00 0.00 57.72 58.36 2gr9 n HIS 243 Cb 0.35 -0.72 0.07 0.00 -0.12 0.00 0.00 29.99 29.57 2gr9 n HIS 243 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2gr9 h VAL 244 N 0.00 1.30 0.08 3.57 2.07 -1.04 -1.48 116.25 120.75 2gr9 h VAL 244 Ca 0.89 -2.49 -0.00 0.00 0.82 0.00 0.00 66.70 65.91 2gr9 h VAL 244 Cb 3.31 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 35.50 2gr9 h VAL 244 CO -0.18 0.66 -0.04 -0.07 0.02 0.00 0.00 177.57 177.97 2gr9 h LEU 245 N 0.00 -0.10 -1.46 2.57 3.38 0.44 -3.23 115.31 116.92 2gr9 h LEU 245 Ca -0.01 -0.49 0.26 0.00 0.09 0.00 0.00 57.88 57.73 2gr9 h LEU 245 Cb 1.36 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 42.05 2gr9 h LEU 245 CO 0.09 0.56 0.67 -0.33 0.09 0.00 0.00 178.44 179.52 2gr9 h GLU 246 N -0.88 0.34 -1.49 1.13 4.39 -0.97 0.17 114.58 117.28 2gr9 h GLU 246 Ca -0.01 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.55 2gr9 h GLU 246 Cb 0.58 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.10 2gr9 h GLU 246 CO 0.02 0.22 0.15 0.43 -1.16 0.00 0.00 179.01 178.68 2gr9 n SER 247 N -4.55 4.75 0.00 1.42 7.64 -0.56 -2.85 113.62 119.47 2gr9 n SER 247 Ca 0.24 -2.53 0.00 0.00 1.01 0.00 0.00 58.87 57.59 2gr9 n SER 247 Cb 0.88 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 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 0.69 0.78 2.46 0.23 0.00 0.60 -5.00 105.19 104.96 2gr9 n GLY 248 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 0.26 0.29 -0.02 0.00 -1.13 -4.87 105.19 99.71 2gr9 n GLY 249 Ca 0.00 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.24 -0.70 -0.76 1.61 3.57 -1.77 -0.14 116.94 117.51 2gr9 h PHE 250 Ca -0.26 0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.41 2gr9 h PHE 250 Cb 1.17 0.29 -0.11 0.00 2.79 0.00 0.00 35.95 40.09 2gr9 h PHE 250 CO 0.23 -0.36 0.23 0.00 -2.23 0.00 0.00 178.31 176.18 2gr9 h ARG 251 N -0.47 0.31 0.00 1.11 2.47 -1.92 -3.09 114.38 112.80 2gr9 h ARG 251 Ca 0.03 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2gr9 h ARG 251 Cb 0.50 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 2gr9 h ARG 251 CO -0.15 0.21 0.00 0.45 0.56 0.00 0.00 179.97 181.04 2gr9 n SER 252 N -5.11 0.00 0.00 7.04 2.88 -0.12 -3.16 113.62 115.15 2gr9 n SER 252 Ca 0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 2gr9 n SER 252 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 2gr9 n SER 252 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2gr9 n LEU 253 N 0.00 0.00 -0.26 2.46 4.32 -0.84 -0.66 117.00 122.03 2gr9 n LEU 253 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2gr9 n LEU 253 Cb 0.00 0.00 0.13 0.00 -1.62 0.00 0.00 43.42 41.93 2gr9 n LEU 253 CO 0.00 0.00 1.11 -0.07 -1.22 0.00 0.00 177.39 177.21 2gr9 h LEU 254 N 0.00 0.60 -0.66 2.23 3.38 -1.61 -0.06 115.31 119.19 2gr9 h LEU 254 Ca 0.00 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2gr9 h LEU 254 Cb 0.00 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2gr9 h LEU 254 CO 0.00 0.37 0.11 0.40 0.09 0.00 0.00 178.44 179.40 2gr9 h ILE 255 N 0.73 1.26 0.00 1.22 1.08 -0.84 -0.55 117.51 120.41 2gr9 h ILE 255 Ca 0.34 -1.03 0.00 0.00 -0.39 0.00 0.00 64.86 63.78 2gr9 h ILE 255 Cb 0.26 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 34.67 2gr9 h ILE 255 CO -0.21 0.39 0.00 0.59 -0.69 0.00 0.00 178.15 178.22 2gr9 n ASN 256 N -4.24 0.00 -0.13 1.72 4.13 -0.16 -2.94 115.26 113.65 2gr9 n ASN 256 Ca 0.04 0.40 -0.28 0.00 1.68 0.00 0.00 54.58 56.42 2gr9 n ASN 256 Cb 0.29 -0.43 -0.09 0.00 -1.54 0.00 0.00 39.78 38.01 2gr9 n ASN 256 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2gr9 n ALA 257 N -1.43 1.15 -0.35 5.41 0.00 -0.29 -3.28 120.51 121.73 2gr9 n ALA 257 Ca 0.02 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.41 2gr9 n ALA 257 Cb 0.06 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.61 2gr9 n ALA 257 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2gr9 n VAL 258 N -4.28 1.61 0.00 0.00 0.31 -0.77 -0.53 118.33 114.67 2gr9 n VAL 258 Ca -0.50 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.44 2gr9 n VAL 258 Cb 0.85 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 2gr9 n VAL 258 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2gr9 n GLU 259 N 1.53 0.00 0.14 5.55 2.13 -1.18 -4.56 120.64 124.26 2gr9 n GLU 259 Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 2gr9 n GLU 259 Cb 0.41 -0.32 0.04 0.00 0.27 0.00 0.00 31.44 31.84 2gr9 n GLU 259 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2gr9 h ALA 260 N 0.00 0.68 0.17 4.31 0.00 -1.38 -2.01 119.26 121.04 2gr9 h ALA 260 Ca 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2gr9 h ALA 260 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2gr9 h ALA 260 CO 0.00 0.63 -0.08 1.03 0.00 0.00 0.00 179.25 180.83 2gr9 h SER 261 N 0.00 -0.19 0.13 0.00 0.87 -1.10 -2.71 113.55 110.54 2gr9 h SER 261 Ca -0.01 -0.33 -0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2gr9 h SER 261 Cb 1.37 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.36 2gr9 h SER 261 CO 0.07 0.36 -0.21 0.00 -0.53 0.00 0.00 176.83 176.51 2gr9 n ILE 263 N -3.62 -0.52 -0.37 0.00 2.08 -0.76 0.59 119.36 116.76 2gr9 n ILE 263 Ca -0.04 2.32 0.02 0.00 0.56 0.00 0.00 62.75 65.61 2gr9 n ILE 263 Cb 0.18 -3.07 0.17 0.00 -0.75 0.00 0.00 39.64 36.17 2gr9 n ILE 263 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 2gr9 h ARG 264 N 0.00 1.16 -0.08 0.38 9.65 -1.26 0.59 114.38 124.83 2gr9 h ARG 264 Ca 0.35 -0.07 0.02 0.00 -1.10 0.00 0.00 59.98 59.18 2gr9 h ARG 264 Cb 0.60 -0.26 -0.02 0.00 -1.39 0.00 0.00 29.97 28.89 2gr9 h ARG 264 CO -0.98 0.77 -0.06 1.15 2.80 0.00 0.00 179.97 183.64 2gr9 h THR 265 N 1.20 0.82 -0.32 0.20 2.02 0.16 -0.58 112.91 116.40 2gr9 h THR 265 Ca 0.43 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.65 2gr9 h THR 265 Cb 0.14 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 2gr9 h THR 265 CO -0.17 0.00 0.10 0.03 0.37 0.00 0.00 175.52 175.85 2gr9 h ARG 266 N -0.07 0.22 -0.02 6.66 3.08 0.12 -0.83 114.38 123.53 2gr9 h ARG 266 Ca 0.05 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.10 2gr9 h ARG 266 Cb 0.15 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 2gr9 h ARG 266 CO -0.12 0.15 0.05 0.93 -1.07 0.00 0.00 179.97 179.90 2gr9 h GLU 267 N 0.23 0.00 0.17 0.04 5.08 0.64 -2.52 114.58 118.22 2gr9 h GLU 267 Ca 0.14 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.22 2gr9 h GLU 267 Cb 0.13 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.41 2gr9 h GLU 267 CO -0.16 0.00 -1.23 -0.07 -1.00 0.00 0.00 179.01 176.55 2gr9 h LEU 268 N 0.00 0.78 0.52 1.33 3.38 0.37 -3.32 115.31 118.36 2gr9 h LEU 268 Ca 0.01 -0.88 -0.03 0.00 0.09 0.00 0.00 57.88 57.07 2gr9 h LEU 268 Cb 0.11 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.62 2gr9 h LEU 268 CO -0.00 1.60 -0.25 0.06 0.09 0.00 0.00 178.44 179.94 2gr9 h GLN 269 N 0.09 -0.67 -1.94 1.13 3.07 -1.20 -2.56 115.11 113.03 2gr9 h GLN 269 Ca -0.20 0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.58 2gr9 h GLN 269 Cb 1.94 0.15 0.00 0.00 0.08 0.00 0.00 27.48 29.65 2gr9 h GLN 269 CO 0.23 -0.37 0.00 -1.13 0.09 0.00 0.00 178.83 177.65 2gr9 n SER 270 N -5.26 2.41 0.00 0.06 3.41 -1.04 0.86 113.62 114.05 2gr9 n SER 270 Ca -0.10 -1.58 0.00 0.00 -0.26 0.00 0.00 58.87 56.92 2gr9 n SER 270 Cb 0.31 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 2gr9 n SER 270 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2gr9 n MET 271 N 1.64 3.03 0.07 4.33 0.00 -1.13 -4.17 117.12 120.90 2gr9 n MET 271 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 57.70 57.58 2gr9 n MET 271 Cb 0.24 -0.44 -0.04 0.00 0.00 0.00 0.00 33.22 32.99 2gr9 n MET 271 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2gr9 h ALA 272 N 0.00 0.40 0.00 -5.12 0.00 0.88 -3.24 119.26 112.18 2gr9 h ALA 272 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2gr9 h ALA 272 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2gr9 h ALA 272 CO 0.00 0.83 -1.15 -0.40 0.00 0.00 0.00 179.25 178.52 2gr9 n ASP 273 N -3.74 0.85 0.00 0.00 5.68 -1.09 -4.29 116.55 113.96 2gr9 n ASP 273 Ca -0.06 -0.60 0.11 0.00 -0.50 0.00 0.00 54.79 53.74 2gr9 n ASP 273 Cb 0.82 1.28 0.62 0.00 -1.14 0.00 0.00 41.12 42.69 2gr9 n ASP 273 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 2gr9 n GLN 274 N -1.65 0.56 0.00 0.11 7.27 -1.22 -5.09 117.38 117.36 2gr9 n GLN 274 Ca 0.01 0.03 0.00 0.00 0.07 0.00 0.00 57.00 57.11 2gr9 n GLN 274 Cb 0.34 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.49 2gr9 n GLN 274 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22