#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bga s ILE 3 N 0.00 4.56 -0.34 12.58 1.01 -1.26 -0.49 121.20 137.27 1bga s ILE 3 Ca 0.00 -0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.57 1bga s ILE 3 Cb 0.00 -3.03 0.10 0.00 0.01 0.00 0.00 42.46 39.54 1bga s ILE 3 CO 0.00 0.49 0.06 -0.36 0.00 0.00 0.00 174.94 175.12 1bga s PHE 4 N 0.21 3.61 -0.01 3.97 0.40 0.19 -4.98 117.98 121.37 1bga s PHE 4 Ca 0.03 -2.92 -0.29 0.00 -0.60 0.00 0.00 56.93 53.14 1bga s PHE 4 Cb -0.13 -2.84 -0.03 0.00 0.51 0.00 0.00 43.02 40.54 1bga s PHE 4 CO 0.01 -0.94 0.96 -1.14 0.70 0.00 0.00 175.22 174.80 1bga s GLN 5 N 0.94 4.54 0.30 0.44 2.00 -1.26 -0.38 119.66 126.24 1bga s GLN 5 Ca 0.11 1.37 0.03 0.00 -2.00 0.00 0.00 55.36 54.87 1bga s GLN 5 Cb -0.19 -3.46 -0.03 0.00 0.80 0.00 0.00 33.01 30.13 1bga s GLN 5 CO -0.09 -0.05 0.46 -0.06 -0.50 0.00 0.00 175.29 175.05 1bga s PHE 6 N 1.02 3.40 0.49 1.67 0.40 -0.51 -5.00 117.98 119.45 1bga s PHE 6 Ca 0.51 0.09 -0.23 0.00 -0.60 0.00 0.00 56.93 56.69 1bga s PHE 6 Cb -0.21 -1.79 -0.07 0.00 0.51 0.00 0.00 43.02 41.47 1bga s PHE 6 CO 0.27 0.21 1.32 -2.14 0.70 0.00 0.00 175.22 175.58 1bga s PRO 7 N -4.16 3.51 0.30 0.24 0.02 -1.26 -4.90 135.00 128.75 1bga s PRO 7 Ca 0.39 2.16 0.06 0.00 0.02 0.00 0.00 61.00 63.63 1bga s PRO 7 Cb -0.09 -2.45 0.81 0.00 0.02 0.00 0.00 34.50 32.78 1bga s PRO 7 CO 0.32 -0.87 1.68 0.37 -0.33 0.00 0.00 177.00 178.17 1bga h GLN 8 N 1.95 0.34 -0.66 5.54 5.75 -1.97 0.12 115.11 126.17 1bga h GLN 8 Ca -0.50 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 57.98 1bga h GLN 8 Cb 1.27 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.75 1bga h GLN 8 CO 0.59 0.22 0.00 -0.25 -2.65 0.00 0.00 178.83 176.75 1bga n ASP 9 N -5.08 4.16 -4.69 -0.69 8.00 -1.26 -4.97 116.55 112.01 1bga n ASP 9 Ca 0.24 -2.26 -0.44 0.00 0.71 0.00 0.00 54.79 53.05 1bga n ASP 9 Cb 0.73 -0.52 -0.02 0.00 -0.02 0.00 0.00 41.12 41.29 1bga n ASP 9 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1bga n PHE 10 N 1.22 2.39 -3.31 1.24 7.35 0.03 -4.93 117.46 121.45 1bga n PHE 10 Ca 0.24 0.36 -0.42 0.00 -0.76 0.00 0.00 57.45 56.87 1bga n PHE 10 Cb 0.74 -2.51 -0.09 0.00 0.35 0.00 0.00 39.48 37.97 1bga n PHE 10 CO 0.00 0.00 0.00 1.41 -0.76 0.00 0.00 176.76 177.41 1bga s MET 11 N -0.34 3.42 -0.12 -4.13 -2.45 -0.73 -5.01 119.30 109.94 1bga s MET 11 Ca 0.68 -0.45 -0.07 0.00 -1.25 0.00 0.00 55.69 54.60 1bga s MET 11 Cb -0.60 -3.86 -0.04 0.00 1.25 0.00 0.00 34.83 31.58 1bga s MET 11 CO 0.48 -0.69 0.13 -1.58 1.05 0.00 0.00 175.02 174.42 1bga s TRP 12 N 2.21 3.57 0.10 4.11 0.52 -1.26 -0.82 118.94 127.37 1bga s TRP 12 Ca 0.14 0.50 -0.05 0.00 0.02 0.00 0.00 56.10 56.72 1bga s TRP 12 Cb -0.16 -1.95 0.02 0.00 -1.15 0.00 0.00 33.47 30.23 1bga s TRP 12 CO 0.13 0.70 0.25 0.41 0.02 0.00 0.00 176.95 178.45 1bga n GLY 13 N 2.10 1.55 3.25 0.98 0.00 0.01 -0.91 105.19 112.17 1bga n GLY 13 Ca -0.20 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.62 1bga n GLY 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bga s THR 14 N -2.66 0.20 0.07 2.61 -4.23 -1.23 -1.28 115.64 109.12 1bga s THR 14 Ca 0.05 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.48 1bga s THR 14 Cb -0.01 -2.54 -0.00 0.00 1.34 0.00 0.00 72.50 71.28 1bga s THR 14 CO 0.03 0.00 0.17 0.00 -0.54 0.00 0.00 174.62 174.28 1bga s ALA 15 N -3.95 -0.17 0.30 3.99 0.00 -0.91 -1.53 121.76 119.49 1bga s ALA 15 Ca 0.38 -0.61 -0.09 0.00 0.00 0.00 0.00 51.96 51.64 1bga s ALA 15 Cb 0.07 0.42 0.01 0.00 0.00 0.00 0.00 23.12 23.61 1bga s ALA 15 CO 0.14 -0.46 0.51 0.95 0.00 0.00 0.00 175.76 176.90 1bga s THR 16 N -3.58 0.00 0.01 0.00 -4.23 -0.17 -2.52 115.64 105.15 1bga s THR 16 Ca 0.03 -1.43 0.03 0.00 -1.18 0.00 0.00 61.69 59.14 1bga s THR 16 Cb 0.04 -2.45 -0.01 0.00 1.34 0.00 0.00 72.50 71.42 1bga s THR 16 CO -0.09 0.00 -0.11 0.00 -0.54 0.00 0.00 174.62 173.88 1bga s ALA 17 N -3.47 0.86 0.13 3.99 0.00 -1.26 -3.67 121.76 118.35 1bga s ALA 17 Ca 0.25 -0.57 -0.30 0.00 0.00 0.00 0.00 51.96 51.34 1bga s ALA 17 Cb -0.01 -0.16 -0.06 0.00 0.00 0.00 0.00 23.12 22.89 1bga s ALA 17 CO 0.13 0.17 1.58 0.00 0.00 0.00 0.00 175.76 177.64 1bga h ALA 18 N 5.45 -0.62 0.00 0.00 0.00 -1.90 -2.14 119.26 120.05 1bga h ALA 18 Ca -0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1bga h ALA 18 Cb 1.18 0.82 -0.00 0.00 0.00 0.00 0.00 17.79 19.79 1bga h ALA 18 CO 0.47 -0.94 -0.06 -0.92 0.00 0.00 0.00 179.25 177.80 1bga h TYR 19 N -0.50 0.00 0.00 0.00 3.20 -1.88 0.55 116.97 118.33 1bga h TYR 19 Ca 0.07 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.79 1bga h TYR 19 Cb 0.63 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 1bga h TYR 19 CO -0.50 0.06 -0.73 1.96 -1.64 0.00 0.00 178.16 177.30 1bga h GLN 20 N 0.00 0.00 0.00 1.82 4.20 -1.66 -3.42 115.11 116.05 1bga h GLN 20 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1bga h GLN 20 Cb 0.24 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 1bga h GLN 20 CO 0.01 0.73 -1.05 0.44 -0.67 0.00 0.00 178.83 178.29 1bga n ILE 21 N -3.38 0.05 -2.14 2.54 -5.35 -0.90 -2.47 119.36 107.72 1bga n ILE 21 Ca 0.00 -0.03 -0.42 0.00 -0.27 0.00 0.00 62.75 62.04 1bga n ILE 21 Cb 0.79 -0.76 -0.03 0.00 -1.74 0.00 0.00 39.64 37.91 1bga n ILE 21 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1bga s GLU 22 N -2.02 4.32 -0.59 6.28 2.02 0.13 -1.14 118.70 127.71 1bga s GLU 22 Ca -0.01 2.13 0.06 0.00 0.02 0.00 0.00 54.97 57.17 1bga s GLU 22 Cb 0.00 -3.21 0.25 0.00 0.10 0.00 0.00 34.13 31.28 1bga s GLU 22 CO 0.03 -0.41 0.71 0.41 0.02 0.00 0.00 175.26 176.01 1bga n GLY 23 N 3.13 4.45 2.72 -1.39 0.00 -1.20 -4.59 105.19 108.32 1bga n GLY 23 Ca 0.10 -2.54 -0.09 0.00 0.00 0.00 0.00 46.02 43.50 1bga n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bga n ALA 24 N 0.92 -0.90 0.31 4.61 0.00 -1.16 -4.55 120.51 119.75 1bga n ALA 24 Ca 0.28 -1.48 0.18 0.00 0.00 0.00 0.00 53.44 52.42 1bga n ALA 24 Cb 0.43 -1.20 1.03 0.00 0.00 0.00 0.00 19.45 19.71 1bga n ALA 24 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 1bga h TYR 25 N 3.27 0.00 -0.04 0.00 -0.00 -1.82 -2.15 116.97 116.23 1bga h TYR 25 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.62 1bga h TYR 25 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.81 1bga h TYR 25 CO 0.25 0.00 0.00 1.04 -0.00 0.00 0.00 178.16 179.45 1bga n GLN 26 N -3.52 0.47 -2.75 0.10 6.02 -1.26 -4.64 117.38 111.80 1bga n GLN 26 Ca -0.03 -0.99 -0.33 0.00 -0.01 0.00 0.00 57.00 55.65 1bga n GLN 26 Cb 0.11 -1.08 -0.06 0.00 1.02 0.00 0.00 30.24 30.23 1bga n GLN 26 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1bga s GLU 27 N -0.50 4.16 -1.72 -1.09 2.12 -0.81 -4.08 118.70 116.78 1bga s GLU 27 Ca 0.05 1.06 -0.18 0.00 0.36 0.00 0.00 54.97 56.27 1bga s GLU 27 Cb 0.03 -2.18 0.16 0.00 0.26 0.00 0.00 34.13 32.40 1bga s GLU 27 CO 0.05 -0.07 0.72 -0.25 -0.54 0.00 0.00 175.26 175.17 1bga n ASP 28 N -0.83 -2.80 -0.50 -1.70 8.00 -1.26 -1.64 116.55 115.83 1bga n ASP 28 Ca 0.07 -1.06 -0.07 0.00 0.71 0.00 0.00 54.79 54.44 1bga n ASP 28 Cb 0.54 -2.55 -0.03 0.00 -0.02 0.00 0.00 41.12 39.07 1bga n ASP 28 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bga n GLY 29 N -1.40 0.88 3.74 0.44 0.00 -1.26 -4.50 105.19 103.09 1bga n GLY 29 Ca 0.05 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 1bga n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bga s ARG 30 N -2.52 4.36 0.48 1.61 3.52 -0.65 -4.69 118.95 121.06 1bga s ARG 30 Ca 0.00 2.09 -0.01 0.00 -0.13 0.00 0.00 55.73 57.68 1bga s ARG 30 Cb 0.00 -3.19 -0.00 0.00 -1.56 0.00 0.00 34.95 30.20 1bga s ARG 30 CO 0.00 -0.30 0.72 0.20 -0.81 0.00 0.00 175.30 175.11 1bga s GLY 31 N 0.45 1.57 0.44 8.12 0.00 0.49 -4.63 107.32 113.76 1bga s GLY 31 Ca 0.58 -0.96 -0.23 0.00 0.00 0.00 0.00 44.72 44.11 1bga s GLY 31 CO 0.38 -0.77 1.09 1.08 0.00 0.00 0.00 173.10 174.88 1bga s LEU 32 N -4.65 4.03 0.37 0.66 1.43 -1.26 -4.73 118.68 114.52 1bga s LEU 32 Ca 0.49 2.13 0.08 0.00 -1.03 0.00 0.00 54.13 55.80 1bga s LEU 32 Cb -0.10 -4.28 -0.03 0.00 0.03 0.00 0.00 46.19 41.81 1bga s LEU 32 CO 0.40 -0.72 0.25 -0.94 0.23 0.00 0.00 176.35 175.57 1bga s SER 33 N -1.56 4.92 0.62 2.29 1.04 -1.26 -0.49 113.70 119.26 1bga s SER 33 Ca 0.62 -0.72 0.37 0.00 0.48 0.00 0.00 55.95 56.70 1bga s SER 33 Cb -0.24 -0.73 2.09 0.00 0.10 0.00 0.00 66.02 67.25 1bga s SER 33 CO 0.29 -0.43 2.30 0.16 0.98 0.00 0.00 173.24 176.54 1bga h ILE 34 N 1.32 0.27 0.05 -1.02 3.07 -0.76 -1.21 117.51 119.22 1bga h ILE 34 Ca -0.43 -0.04 -0.23 0.00 1.55 0.00 0.00 64.86 65.71 1bga h ILE 34 Cb 1.26 1.03 -0.01 0.00 -0.27 0.00 0.00 36.82 38.82 1bga h ILE 34 CO 0.61 0.01 -1.06 -0.50 -1.05 0.00 0.00 178.15 176.16 1bga h TRP 35 N 0.00 0.25 -0.09 0.16 4.06 -1.83 0.06 115.95 118.56 1bga h TRP 35 Ca -0.00 -0.17 -0.01 0.00 2.06 0.00 0.00 58.89 60.77 1bga h TRP 35 Cb 0.03 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 28.17 1bga h TRP 35 CO 0.00 1.09 0.03 -0.44 -3.56 0.00 0.00 178.44 175.56 1bga h ASP 36 N 0.05 0.13 0.00 -3.49 5.19 -1.62 -0.10 116.42 116.58 1bga h ASP 36 Ca -0.06 -0.20 0.03 0.00 -0.62 0.00 0.00 57.03 56.18 1bga h ASP 36 Cb 1.78 -0.03 -0.03 0.00 0.18 0.00 0.00 39.33 41.22 1bga h ASP 36 CO 0.16 0.29 -0.18 0.74 -3.12 0.00 0.00 179.24 177.13 1bga h THR 37 N -0.04 0.57 0.13 0.35 2.02 -1.43 0.02 112.91 114.53 1bga h THR 37 Ca 0.03 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.22 1bga h THR 37 Cb 0.21 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1bga h THR 37 CO -0.00 0.00 -0.19 0.15 0.37 0.00 0.00 175.52 175.85 1bga h PHE 38 N -0.30 -0.49 -0.01 3.16 3.57 -0.86 -2.13 116.94 119.88 1bga h PHE 38 Ca 0.06 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 1bga h PHE 38 Cb 0.37 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 1bga h PHE 38 CO -0.23 -0.28 -0.16 0.00 -2.23 0.00 0.00 178.31 175.41 1bga h ALA 39 N 0.43 1.71 0.00 2.41 0.00 -0.88 -1.36 119.26 121.57 1bga h ALA 39 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1bga h ALA 39 Cb 0.38 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1bga h ALA 39 CO -0.08 0.22 0.00 0.72 0.00 0.00 0.00 179.25 180.10 1bga n HIS 40 N -4.34 0.00 -3.61 0.00 8.25 -0.02 -4.73 115.22 110.78 1bga n HIS 40 Ca -0.02 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.07 1bga n HIS 40 Cb 0.23 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.25 1bga n HIS 40 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1bga s THR 41 N -2.00 5.33 0.23 1.59 2.01 -0.51 -5.05 115.64 117.23 1bga s THR 41 Ca 0.42 0.26 -0.32 0.00 0.31 0.00 0.00 61.69 62.37 1bga s THR 41 Cb 0.19 -3.54 -0.13 0.00 0.01 0.00 0.00 72.50 69.03 1bga s THR 41 CO 0.33 0.32 1.47 -2.65 -0.69 0.00 0.00 174.62 173.39 1bga n PRO 42 N 4.42 2.14 0.00 4.92 -0.02 -1.26 -2.16 135.00 143.04 1bga n PRO 42 Ca -0.14 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1bga n PRO 42 Cb 0.52 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1bga n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bga n GLY 43 N 2.43 1.87 0.13 -1.23 0.00 -1.26 -4.92 105.19 102.21 1bga n GLY 43 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 1bga n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bga h LYS 44 N 2.76 0.38 -6.59 1.61 1.79 -1.69 -3.46 116.57 111.36 1bga h LYS 44 Ca 0.00 -0.65 -0.69 0.00 -2.18 0.00 0.00 60.65 57.13 1bga h LYS 44 Cb 0.00 0.24 -0.29 0.00 -1.58 0.00 0.00 32.23 30.60 1bga h LYS 44 CO 0.00 1.31 -0.88 0.08 -1.08 0.00 0.00 179.45 178.88 1bga s VAL 45 N -2.51 2.04 -0.02 0.50 1.01 -1.26 -4.79 120.40 115.36 1bga s VAL 45 Ca -0.14 -1.19 -0.37 0.00 0.00 0.00 0.00 61.98 60.28 1bga s VAL 45 Cb 0.03 -1.71 -0.16 0.00 0.00 0.00 0.00 36.38 34.55 1bga s VAL 45 CO 0.86 0.49 1.53 0.33 0.00 0.00 0.00 175.10 178.31 1bga n PHE 46 N 2.22 1.84 -1.24 5.22 7.35 -0.58 -1.62 117.46 130.63 1bga n PHE 46 Ca -0.16 0.50 -0.08 0.00 -0.76 0.00 0.00 57.45 56.95 1bga n PHE 46 Cb 0.51 -2.42 -0.04 0.00 0.35 0.00 0.00 39.48 37.88 1bga n PHE 46 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1bga n ASN 47 N 3.80 -5.47 -0.54 -2.13 4.05 -1.26 -2.31 115.26 111.40 1bga n ASN 47 Ca 0.21 0.21 -0.07 0.00 0.45 0.00 0.00 54.58 55.38 1bga n ASN 47 Cb 0.19 -3.71 -0.03 0.00 1.23 0.00 0.00 39.78 37.47 1bga n ASN 47 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1bga n GLY 48 N -0.02 0.87 3.70 8.20 0.00 -0.64 -4.98 105.19 112.32 1bga n GLY 48 Ca -0.08 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 1bga n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bga s ASP 49 N -2.56 3.33 0.35 1.61 1.01 -0.98 -4.94 116.67 114.48 1bga s ASP 49 Ca 0.00 2.14 -0.14 0.00 0.71 0.00 0.00 52.55 55.26 1bga s ASP 49 Cb 0.00 -2.56 0.03 0.00 1.01 0.00 0.00 42.92 41.40 1bga s ASP 49 CO 0.00 -2.83 0.69 0.54 0.21 0.00 0.00 175.17 173.77 1bga s ASN 50 N -2.75 0.13 -0.25 0.27 2.20 -1.26 -4.82 114.94 108.45 1bga s ASN 50 Ca 0.66 -1.10 0.10 0.00 -0.94 0.00 0.00 52.86 51.58 1bga s ASN 50 Cb -0.22 0.77 0.67 0.00 -2.00 0.00 0.00 41.25 40.47 1bga s ASN 50 CO 0.56 -1.51 1.63 0.61 -2.94 0.00 0.00 177.10 175.46 1bga n GLY 51 N -0.51 3.13 0.26 0.45 0.00 -1.26 -4.46 105.19 102.80 1bga n GLY 51 Ca -0.05 -0.83 0.03 0.00 0.00 0.00 0.00 46.02 45.17 1bga n GLY 51 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1bga h ASN 52 N 2.74 0.27 0.00 1.61 4.21 -1.91 -3.35 115.58 119.16 1bga h ASN 52 Ca 0.14 0.10 -0.10 0.00 1.21 0.00 0.00 56.30 57.65 1bga h ASN 52 Cb 1.99 0.07 -0.02 0.00 -1.12 0.00 0.00 38.32 39.25 1bga h ASN 52 CO 0.56 0.13 -1.36 0.52 -1.29 0.00 0.00 177.43 175.99 1bga n VAL 53 N -4.99 0.36 0.00 2.81 0.31 -1.26 -2.99 118.33 112.57 1bga n VAL 53 Ca 0.12 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1bga n VAL 53 Cb 0.36 -0.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 1bga n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bga n ALA 54 N -2.79 0.00 0.50 3.52 0.00 -1.26 0.00 120.51 120.49 1bga n ALA 54 Ca -0.11 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.44 1bga n ALA 54 Cb 0.61 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.24 1bga n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bga n ASP 56 N 1.43 -4.72 0.03 0.00 2.03 0.10 -4.79 116.55 110.63 1bga n ASP 56 Ca 0.17 -0.49 0.08 0.00 0.52 0.00 0.00 54.79 55.07 1bga n ASP 56 Cb 0.60 -3.82 0.34 0.00 -0.72 0.00 0.00 41.12 37.51 1bga n ASP 56 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1bga n SER 57 N -2.53 0.17 0.06 1.67 7.64 -0.29 -0.75 113.62 119.58 1bga n SER 57 Ca -0.02 0.54 0.01 0.00 1.01 0.00 0.00 58.87 60.42 1bga n SER 57 Cb 0.56 -0.58 0.35 0.00 -1.01 0.00 0.00 64.21 63.53 1bga n SER 57 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1bga h TYR 58 N 0.00 0.40 0.00 1.43 3.20 -1.87 -2.37 116.97 117.75 1bga h TYR 58 Ca 0.00 -0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.72 1bga h TYR 58 Cb 0.25 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1bga h TYR 58 CO 0.00 0.44 -1.81 0.72 -1.64 0.00 0.00 178.16 175.87 1bga n HIS 59 N -4.29 0.00 -0.50 -3.82 8.25 -0.58 -4.62 115.22 109.66 1bga n HIS 59 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.56 1bga n HIS 59 Cb 0.25 -0.50 0.31 0.00 1.12 0.00 0.00 29.99 31.16 1bga n HIS 59 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1bga n ARG 60 N -2.25 3.23 -0.22 -0.41 1.74 0.07 -4.61 116.66 114.22 1bga n ARG 60 Ca -0.12 -2.69 0.19 0.00 -0.77 0.00 0.00 57.85 54.46 1bga n ARG 60 Cb 0.65 -1.69 0.52 0.00 -1.02 0.00 0.00 32.46 30.92 1bga n ARG 60 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 1bga h TYR 61 N 3.72 0.51 -0.67 -1.55 -0.00 -1.67 -1.60 116.97 115.71 1bga h TYR 61 Ca 0.00 0.02 -0.08 0.00 -0.00 0.00 0.00 58.73 58.67 1bga h TYR 61 Cb 1.19 -0.16 -0.03 0.00 -0.00 0.00 0.00 36.73 37.74 1bga h TYR 61 CO 0.58 0.15 0.12 0.93 -0.00 0.00 0.00 178.16 179.94 1bga h GLU 62 N 0.39 1.11 -0.19 0.10 5.08 -1.88 0.36 114.58 119.55 1bga h GLU 62 Ca 0.45 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1bga h GLU 62 Cb 1.12 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1bga h GLU 62 CO -0.16 1.01 -0.06 1.49 -1.00 0.00 0.00 179.01 180.29 1bga h GLU 63 N 1.03 0.37 -0.60 2.33 4.81 -1.66 -1.64 114.58 119.22 1bga h GLU 63 Ca 0.21 -0.15 0.05 0.00 -0.13 0.00 0.00 59.36 59.34 1bga h GLU 63 Cb 0.43 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.74 1bga h GLU 63 CO 0.01 0.64 0.32 -0.44 -0.73 0.00 0.00 179.01 178.81 1bga h ASP 64 N 0.08 0.46 0.01 1.04 3.32 -1.27 0.09 116.42 120.16 1bga h ASP 64 Ca 0.05 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 1bga h ASP 64 Cb 0.51 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1bga h ASP 64 CO 0.02 0.31 -0.20 0.40 -1.72 0.00 0.00 179.24 178.05 1bga h ILE 65 N 0.60 1.23 -0.31 0.35 2.04 -0.85 0.10 117.51 120.67 1bga h ILE 65 Ca 0.27 -1.06 -0.06 0.00 1.00 0.00 0.00 64.86 65.00 1bga h ILE 65 Cb 0.16 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1bga h ILE 65 CO -0.17 0.33 -0.03 -0.09 0.00 0.00 0.00 178.15 178.19 1bga h ARG 66 N 0.31 0.57 -0.44 2.37 2.43 -0.28 -0.80 114.38 118.55 1bga h ARG 66 Ca 0.05 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1bga h ARG 66 Cb 0.53 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 1bga h ARG 66 CO 0.04 0.73 0.26 -0.07 -1.51 0.00 0.00 179.97 179.42 1bga h LEU 67 N 0.36 0.53 -0.34 3.80 3.38 -0.45 -1.40 115.31 121.19 1bga h LEU 67 Ca 0.09 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1bga h LEU 67 Cb 0.49 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1bga h LEU 67 CO 0.02 0.43 0.00 1.15 0.09 0.00 0.00 178.44 180.13 1bga n MET 68 N -4.74 0.17 0.09 1.13 0.00 0.30 -1.91 117.12 112.16 1bga n MET 68 Ca 0.01 0.30 -0.16 0.00 0.00 0.00 0.00 57.70 57.85 1bga n MET 68 Cb 0.05 -1.77 -0.10 0.00 0.00 0.00 0.00 33.22 31.41 1bga n MET 68 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1bga h LYS 69 N 0.00 0.39 0.00 3.17 1.63 -0.16 -3.07 116.57 118.53 1bga h LYS 69 Ca 0.00 -0.53 -0.08 0.00 -0.85 0.00 0.00 60.65 59.19 1bga h LYS 69 Cb 0.47 0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.26 1bga h LYS 69 CO 0.00 1.21 -0.36 0.93 -3.45 0.00 0.00 179.45 177.78 1bga h GLU 70 N 0.17 0.00 0.00 1.90 5.08 -0.69 -2.63 114.58 118.41 1bga h GLU 70 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1bga h GLU 70 Cb 1.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.06 1bga h GLU 70 CO 0.20 0.36 0.00 1.25 -1.00 0.00 0.00 179.01 179.82 1bga h LEU 71 N 0.00 0.00 0.38 1.33 5.85 -1.28 -3.46 115.31 118.12 1bga h LEU 71 Ca -0.00 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.59 1bga h LEU 71 Cb 0.85 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 1bga h LEU 71 CO 0.05 0.00 -0.12 0.61 -0.34 0.00 0.00 178.44 178.64 1bga n GLY 72 N -0.28 0.73 3.80 3.75 0.00 -0.99 -4.32 105.19 107.88 1bga n GLY 72 Ca 0.00 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 1bga n GLY 72 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1bga s ILE 73 N -2.24 3.70 -0.16 -0.61 1.10 -1.24 -4.63 121.20 117.13 1bga s ILE 73 Ca 0.00 0.97 0.08 0.00 -0.51 0.00 0.00 60.65 61.19 1bga s ILE 73 Cb 0.00 -3.40 -0.23 0.00 0.15 0.00 0.00 42.46 38.98 1bga s ILE 73 CO 0.00 -0.32 0.21 0.54 -2.11 0.00 0.00 174.94 173.26 1bga n ARG 74 N -1.39 0.68 -4.19 3.50 1.74 -0.09 -4.80 116.66 112.11 1bga n ARG 74 Ca 0.09 0.16 -0.11 0.00 -0.77 0.00 0.00 57.85 57.22 1bga n ARG 74 Cb 0.52 -1.63 -0.10 0.00 -1.02 0.00 0.00 32.46 30.24 1bga n ARG 74 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1bga s THR 75 N -2.54 0.55 -0.10 0.55 -4.23 -0.88 -0.34 115.64 108.66 1bga s THR 75 Ca -0.17 -1.94 -0.01 0.00 -1.18 0.00 0.00 61.69 58.39 1bga s THR 75 Cb 0.07 -1.92 0.03 0.00 1.34 0.00 0.00 72.50 72.03 1bga s THR 75 CO 0.76 -0.64 -0.02 -0.47 -0.54 0.00 0.00 174.62 173.71 1bga s TYR 76 N -3.73 0.93 -0.20 3.99 5.04 -0.81 -3.52 117.35 119.06 1bga s TYR 76 Ca 0.19 -0.40 -0.14 0.00 -2.44 0.00 0.00 57.07 54.28 1bga s TYR 76 Cb 0.06 -0.94 -0.04 0.00 0.35 0.00 0.00 41.96 41.39 1bga s TYR 76 CO -0.00 -0.41 0.33 0.50 -1.34 0.00 0.00 175.55 174.62 1bga s ARG 77 N 1.89 4.18 0.07 4.97 3.52 -0.58 -0.99 118.95 132.01 1bga s ARG 77 Ca 0.04 0.09 -0.01 0.00 -0.13 0.00 0.00 55.73 55.72 1bga s ARG 77 Cb -0.13 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.72 1bga s ARG 77 CO -0.06 0.06 -0.01 -0.59 -0.81 0.00 0.00 175.30 173.89 1bga s PHE 78 N 1.01 0.59 0.21 5.12 -0.71 -0.93 -1.00 117.98 122.27 1bga s PHE 78 Ca 0.16 -1.10 0.08 0.00 -1.04 0.00 0.00 56.93 55.03 1bga s PHE 78 Cb -0.14 -0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 41.23 1bga s PHE 78 CO 0.06 -0.41 0.06 -1.54 -1.34 0.00 0.00 175.22 172.04 1bga s SER 79 N -2.95 4.96 -0.17 1.98 1.04 -1.24 -0.70 113.70 116.62 1bga s SER 79 Ca 0.11 -0.40 -0.10 0.00 0.48 0.00 0.00 55.95 56.04 1bga s SER 79 Cb 0.08 -1.11 -0.05 0.00 0.10 0.00 0.00 66.02 65.05 1bga s SER 79 CO -0.07 0.04 0.16 -0.69 0.98 0.00 0.00 173.24 173.65 1bga s VAL 80 N -1.97 5.41 -0.68 5.02 1.01 -0.33 -4.09 120.40 124.77 1bga s VAL 80 Ca 0.30 0.25 -0.27 0.00 0.00 0.00 0.00 61.98 62.27 1bga s VAL 80 Cb -0.08 -3.48 0.03 0.00 0.00 0.00 0.00 36.38 32.85 1bga s VAL 80 CO 0.21 0.48 1.20 -0.55 0.00 0.00 0.00 175.10 176.44 1bga s SER 81 N 0.00 6.24 0.16 3.32 0.15 -1.26 -4.67 113.70 117.65 1bga s SER 81 Ca 0.11 -0.36 -0.23 0.00 0.70 0.00 0.00 55.95 56.16 1bga s SER 81 Cb -0.12 -2.54 0.05 0.00 -1.71 0.00 0.00 66.02 61.70 1bga s SER 81 CO 0.01 -1.67 1.60 -0.25 1.20 0.00 0.00 173.24 174.12 1bga h TRP 82 N 9.82 -0.90 0.00 3.44 2.91 -1.85 -0.08 115.95 129.29 1bga h TRP 82 Ca -0.27 0.05 0.00 0.00 1.13 0.00 0.00 58.89 59.80 1bga h TRP 82 Cb 1.06 0.45 0.00 0.00 -0.51 0.00 0.00 29.16 30.15 1bga h TRP 82 CO 1.08 -0.38 0.00 -0.35 -1.03 0.00 0.00 178.44 177.75 1bga n PRO 83 N -5.41 0.16 -0.05 2.65 -0.04 -1.26 -0.04 135.00 131.01 1bga n PRO 83 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 1bga n PRO 83 Cb 0.33 -1.48 -0.15 0.00 -0.04 0.00 0.00 33.50 32.17 1bga n PRO 83 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1bga n ARG 84 N -0.98 0.66 -0.03 0.54 1.74 -0.05 -0.38 116.66 118.15 1bga n ARG 84 Ca 0.04 0.18 -0.21 0.00 -0.77 0.00 0.00 57.85 57.09 1bga n ARG 84 Cb 0.02 -1.68 -0.13 0.00 -1.02 0.00 0.00 32.46 29.64 1bga n ARG 84 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1bga h ILE 85 N 0.00 1.08 -2.76 0.55 1.08 -0.32 -3.32 117.51 113.83 1bga h ILE 85 Ca -0.40 -2.33 -0.60 0.00 -0.39 0.00 0.00 64.86 61.14 1bga h ILE 85 Cb 2.10 2.66 -0.40 0.00 -3.07 0.00 0.00 36.82 38.11 1bga h ILE 85 CO 0.06 0.59 -0.79 -0.36 -0.69 0.00 0.00 178.15 176.96 1bga s PHE 86 N -2.42 1.97 0.46 1.37 0.08 0.20 -0.42 117.98 119.22 1bga s PHE 86 Ca -0.22 -2.56 0.28 0.00 0.12 0.00 0.00 56.93 54.55 1bga s PHE 86 Cb 0.04 -1.68 1.34 0.00 -0.57 0.00 0.00 43.02 42.15 1bga s PHE 86 CO 0.71 -0.74 1.74 -1.35 -0.10 0.00 0.00 175.22 175.47 1bga h PRO 87 N 6.03 0.18 0.00 0.24 0.11 -1.74 0.56 132.00 137.38 1bga h PRO 87 Ca 0.13 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 66.02 1bga h PRO 87 Cb 0.88 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.91 1bga h PRO 87 CO 0.49 0.12 -1.52 -1.71 -0.21 0.00 0.00 178.00 175.17 1bga n ASN 88 N -4.48 0.88 0.00 -2.05 5.15 -1.26 -4.36 115.26 109.14 1bga n ASN 88 Ca 0.29 0.40 0.00 0.00 -0.60 0.00 0.00 54.58 54.67 1bga n ASN 88 Cb 1.17 0.06 0.00 0.00 -0.53 0.00 0.00 39.78 40.47 1bga n ASN 88 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1bga n GLY 89 N 1.46 2.92 0.02 8.20 0.00 0.20 -4.20 105.19 113.78 1bga n GLY 89 Ca -0.12 -0.35 -0.02 0.00 0.00 0.00 0.00 46.02 45.52 1bga n GLY 89 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bga n ASP 90 N 0.36 3.99 -1.76 1.61 8.00 -1.26 -4.81 116.55 122.68 1bga n ASP 90 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1bga n ASP 90 Cb 0.00 0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1bga n ASP 90 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bga n GLY 91 N 2.93 -3.09 3.89 0.44 0.00 -1.26 -5.00 105.19 103.11 1bga n GLY 91 Ca -0.06 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 1bga n GLY 91 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bga s GLU 92 N 0.00 3.65 0.33 1.61 1.03 -1.26 -5.04 118.70 119.02 1bga s GLU 92 Ca 0.00 0.29 -0.29 0.00 0.03 0.00 0.00 54.97 55.01 1bga s GLU 92 Cb 0.00 -2.41 -0.10 0.00 -0.80 0.00 0.00 34.13 30.82 1bga s GLU 92 CO 0.00 -0.09 1.27 0.08 -1.33 0.00 0.00 175.26 175.19 1bga s VAL 93 N -2.52 2.83 -0.51 1.83 1.01 -1.26 -4.65 120.40 117.12 1bga s VAL 93 Ca 0.49 0.83 -0.17 0.00 0.00 0.00 0.00 61.98 63.13 1bga s VAL 93 Cb -0.10 -3.52 0.09 0.00 0.00 0.00 0.00 36.38 32.84 1bga s VAL 93 CO 0.38 0.19 0.51 0.21 0.00 0.00 0.00 175.10 176.39 1bga s ASN 94 N -0.57 6.18 0.53 3.32 3.84 0.44 -4.93 114.94 123.75 1bga s ASN 94 Ca 0.49 -1.40 0.22 0.00 0.21 0.00 0.00 52.86 52.38 1bga s ASN 94 Cb -0.38 -2.23 1.43 0.00 -0.55 0.00 0.00 41.25 39.52 1bga s ASN 94 CO 0.51 -0.81 2.14 -0.61 -2.79 0.00 0.00 177.10 175.54 1bga h GLN 95 N 8.89 0.00 -0.65 0.43 5.75 -1.88 -2.12 115.11 125.52 1bga h GLN 95 Ca -0.29 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.17 1bga h GLN 95 Cb 1.10 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.62 1bga h GLN 95 CO 0.97 0.06 0.24 1.49 -2.65 0.00 0.00 178.83 178.93 1bga h GLU 96 N 0.00 0.99 -0.14 1.69 4.57 -1.89 -0.32 114.58 119.48 1bga h GLU 96 Ca -0.00 -0.19 -0.00 0.00 -1.18 0.00 0.00 59.36 57.98 1bga h GLU 96 Cb 0.12 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 1bga h GLU 96 CO 0.01 0.84 0.08 0.78 -1.18 0.00 0.00 179.01 179.54 1bga h GLY 97 N 0.93 0.21 1.13 1.92 0.00 -1.48 -2.30 103.07 103.47 1bga h GLY 97 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1bga h GLY 97 CO -0.01 0.09 0.55 1.41 0.00 0.00 0.00 176.54 178.58 1bga h LEU 98 N 0.13 1.02 -0.80 3.11 3.38 -1.28 -2.60 115.31 118.27 1bga h LEU 98 Ca 0.05 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1bga h LEU 98 Cb 0.08 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1bga h LEU 98 CO -0.01 0.77 0.51 0.44 0.09 0.00 0.00 178.44 180.24 1bga h ASP 99 N 1.19 0.93 0.00 -0.43 3.32 -0.77 -1.11 116.42 119.56 1bga h ASP 99 Ca 0.32 -0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.35 1bga h ASP 99 Cb -0.09 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.19 1bga h ASP 99 CO -0.06 0.69 -0.18 0.22 -1.72 0.00 0.00 179.24 178.19 1bga h TYR 100 N 1.09 -0.46 0.00 4.55 3.20 -1.02 0.15 116.97 124.47 1bga h TYR 100 Ca 0.29 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.16 1bga h TYR 100 Cb -0.10 0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 1bga h TYR 100 CO -0.01 -0.26 -0.08 1.88 -1.64 0.00 0.00 178.16 178.05 1bga h TYR 101 N -0.29 0.00 -0.07 -3.82 0.05 -1.40 -0.90 116.97 110.54 1bga h TYR 101 Ca 0.05 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.61 1bga h TYR 101 Cb 0.36 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.11 1bga h TYR 101 CO -0.22 0.08 -0.86 0.45 -1.05 0.00 0.00 178.16 176.55 1bga h HIS 102 N 0.00 0.85 -0.30 4.88 3.86 0.15 -0.34 115.15 124.26 1bga h HIS 102 Ca -0.00 -0.42 -0.02 0.00 -1.16 0.00 0.00 60.37 58.78 1bga h HIS 102 Cb 0.31 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 1bga h HIS 102 CO 0.00 1.23 0.12 0.00 0.86 0.00 0.00 177.93 180.14 1bga h ARG 103 N 0.39 0.45 0.73 2.45 3.08 0.24 -0.29 114.38 121.43 1bga h ARG 103 Ca -0.07 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 1bga h ARG 103 Cb 1.49 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 31.47 1bga h ARG 103 CO 0.16 0.45 -0.35 0.28 -1.07 0.00 0.00 179.97 179.45 1bga h VAL 104 N 0.34 0.21 -0.62 2.04 2.07 -1.20 -2.20 116.25 116.89 1bga h VAL 104 Ca 0.10 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.53 1bga h VAL 104 Cb 0.17 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 1bga h VAL 104 CO -0.01 0.01 0.34 0.58 0.02 0.00 0.00 177.57 178.52 1bga h VAL 105 N -1.09 0.98 -0.69 2.57 2.07 -1.06 -0.18 116.25 118.85 1bga h VAL 105 Ca -0.10 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1bga h VAL 105 Cb 0.77 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1bga h VAL 105 CO 0.16 0.12 0.40 0.44 0.02 0.00 0.00 177.57 178.71 1bga h ASP 106 N 0.65 0.85 -0.44 0.57 3.32 -1.07 0.52 116.42 120.83 1bga h ASP 106 Ca 0.27 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1bga h ASP 106 Cb 0.15 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1bga h ASP 106 CO -0.17 0.68 0.21 0.25 -1.72 0.00 0.00 179.24 178.50 1bga h LEU 107 N 0.95 0.57 0.14 1.55 5.85 -0.72 0.25 115.31 123.90 1bga h LEU 107 Ca 0.25 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1bga h LEU 107 Cb 0.01 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1bga h LEU 107 CO -0.04 0.54 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.42 1bga h LEU 108 N 0.56 -0.28 -0.89 2.25 3.38 -0.54 -1.05 115.31 118.74 1bga h LEU 108 Ca 0.15 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.18 1bga h LEU 108 Cb 0.12 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 1bga h LEU 108 CO -0.02 -0.17 0.58 0.78 0.09 0.00 0.00 178.44 179.69 1bga h ASN 109 N -0.26 0.95 -0.11 -0.43 2.35 -0.64 0.11 115.58 117.54 1bga h ASN 109 Ca -0.01 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1bga h ASN 109 Cb 0.23 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1bga h ASN 109 CO -0.01 0.64 0.07 0.44 -1.65 0.00 0.00 177.43 176.92 1bga h ASP 110 N 1.10 0.14 -0.49 5.81 3.32 0.02 -1.35 116.42 124.98 1bga h ASP 110 Ca 0.36 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1bga h ASP 110 Cb 0.04 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1bga h ASP 110 CO -0.13 0.12 0.00 0.59 -1.72 0.00 0.00 179.24 178.09 1bga n ASN 111 N -4.51 3.50 -1.38 6.45 3.02 0.26 -4.92 115.26 117.68 1bga n ASN 111 Ca -0.01 -2.27 -0.16 0.00 -0.03 0.00 0.00 54.58 52.11 1bga n ASN 111 Cb 0.09 -0.47 -0.05 0.00 -0.61 0.00 0.00 39.78 38.74 1bga n ASN 111 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bga n GLY 112 N 1.00 1.15 3.51 7.41 0.00 -0.51 -4.98 105.19 112.78 1bga n GLY 112 Ca 0.19 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1bga n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bga s ILE 113 N -2.65 4.47 -0.20 -0.61 1.01 -0.57 -4.88 121.20 117.78 1bga s ILE 113 Ca 0.00 -0.13 -0.29 0.00 0.00 0.00 0.00 60.65 60.23 1bga s ILE 113 Cb 0.00 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.41 1bga s ILE 113 CO 0.00 0.37 1.11 -1.61 0.00 0.00 0.00 174.94 174.81 1bga s GLU 114 N 1.22 4.26 0.33 2.79 2.02 0.54 -3.61 118.70 126.25 1bga s GLU 114 Ca 0.05 1.46 -0.29 0.00 0.02 0.00 0.00 54.97 56.21 1bga s GLU 114 Cb -0.14 -3.67 -0.10 0.00 0.10 0.00 0.00 34.13 30.31 1bga s GLU 114 CO 0.03 -0.64 1.28 -2.14 0.02 0.00 0.00 175.26 173.82 1bga s PRO 115 N 3.22 4.36 -0.38 0.39 0.02 -1.26 -1.92 135.00 139.44 1bga s PRO 115 Ca 0.48 2.16 0.02 0.00 0.02 0.00 0.00 61.00 63.68 1bga s PRO 115 Cb -0.17 -3.06 0.11 0.00 0.02 0.00 0.00 34.50 31.40 1bga s PRO 115 CO 0.09 -0.16 0.13 0.12 -0.33 0.00 0.00 177.00 176.86 1bga s PHE 116 N -1.15 2.71 -0.18 6.54 2.19 -0.17 -3.97 117.98 123.95 1bga s PHE 116 Ca 0.49 -2.54 -0.25 0.00 0.33 0.00 0.00 56.93 54.96 1bga s PHE 116 Cb -0.39 -2.35 -0.01 0.00 -1.31 0.00 0.00 43.02 38.97 1bga s PHE 116 CO 0.51 -0.86 0.83 0.00 1.83 0.00 0.00 175.22 177.53 1bga s THR 118 N 2.29 4.49 0.09 0.00 2.01 0.12 -0.42 115.64 124.22 1bga s THR 118 Ca 0.38 -1.03 -0.21 0.00 0.31 0.00 0.00 61.69 61.14 1bga s THR 118 Cb -0.16 -3.58 -0.10 0.00 0.01 0.00 0.00 72.50 68.66 1bga s THR 118 CO 0.11 -0.33 1.64 -0.07 -0.69 0.00 0.00 174.62 175.28 1bga h LEU 119 N 8.44 0.22 -8.00 4.42 3.38 -1.36 -0.87 115.31 121.54 1bga h LEU 119 Ca -0.25 -0.15 -0.67 0.00 0.09 0.00 0.00 57.88 56.90 1bga h LEU 119 Cb 1.10 -0.06 -0.35 0.00 0.09 0.00 0.00 40.66 41.44 1bga h LEU 119 CO 0.70 0.30 -0.81 -0.47 0.09 0.00 0.00 178.44 178.26 1bga s TYR 120 N -5.62 3.06 -0.44 1.13 5.04 -0.35 -4.08 117.35 116.09 1bga s TYR 120 Ca -0.14 -1.92 0.09 0.00 -2.44 0.00 0.00 57.07 52.67 1bga s TYR 120 Cb 0.07 -1.96 0.38 0.00 0.35 0.00 0.00 41.96 40.80 1bga s TYR 120 CO 0.70 -0.82 0.93 1.58 -1.34 0.00 0.00 175.55 176.60 1bga n HIS 121 N 4.55 2.37 0.00 4.97 -0.00 -1.26 -2.15 115.22 123.69 1bga n HIS 121 Ca -0.17 -3.52 0.00 0.00 0.46 0.00 0.00 57.72 54.49 1bga n HIS 121 Cb 0.46 -0.35 0.00 0.00 -0.12 0.00 0.00 29.99 29.97 1bga n HIS 121 CO 0.00 0.00 0.00 0.91 0.46 0.00 0.00 176.34 177.71 1bga n TRP 122 N -0.13 0.00 -1.95 1.57 8.01 -1.26 -4.85 117.44 118.83 1bga n TRP 122 Ca 0.27 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 56.05 1bga n TRP 122 Cb 0.60 -0.03 -0.00 0.00 -2.01 0.00 0.00 31.31 29.87 1bga n TRP 122 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 1bga n ASP 123 N 0.00 5.65 -4.72 -0.99 5.68 -1.26 -4.68 116.55 116.24 1bga n ASP 123 Ca 0.00 -2.96 -0.42 0.00 -0.50 0.00 0.00 54.79 50.91 1bga n ASP 123 Cb 0.00 -1.53 -0.03 0.00 -1.14 0.00 0.00 41.12 38.42 1bga n ASP 123 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1bga s LEU 124 N 0.33 4.37 0.23 -2.12 2.96 -1.26 -4.29 118.68 118.91 1bga s LEU 124 Ca 0.48 2.29 -0.32 0.00 -0.22 0.00 0.00 54.13 56.36 1bga s LEU 124 Cb 0.14 -3.59 -0.13 0.00 0.50 0.00 0.00 46.19 43.11 1bga s LEU 124 CO -0.05 -0.62 1.56 -2.65 -1.32 0.00 0.00 176.35 173.27 1bga n PRO 125 N 3.84 2.38 -0.33 0.98 -0.02 -1.26 -0.07 135.00 140.52 1bga n PRO 125 Ca 0.11 0.85 0.12 0.00 -2.02 0.00 0.00 63.50 62.56 1bga n PRO 125 Cb 0.43 -2.61 0.33 0.00 -0.02 0.00 0.00 33.50 31.64 1bga n PRO 125 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1bga h GLN 126 N 5.27 0.75 -0.68 -0.52 5.75 -1.02 -2.19 115.11 122.46 1bga h GLN 126 Ca -0.45 -0.05 0.13 0.00 -0.15 0.00 0.00 58.65 58.13 1bga h GLN 126 Cb 1.24 -0.17 -0.09 0.00 1.07 0.00 0.00 27.48 29.53 1bga h GLN 126 CO 0.84 0.50 0.21 0.00 -2.65 0.00 0.00 178.83 177.72 1bga h ALA 127 N 1.60 0.89 -0.29 3.38 0.00 -1.80 0.15 119.26 123.19 1bga h ALA 127 Ca 0.52 0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.45 1bga h ALA 127 Cb 0.79 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1bga h ALA 127 CO -0.29 -0.27 -0.28 -0.07 0.00 0.00 0.00 179.25 178.34 1bga h LEU 128 N 0.34 0.59 -1.15 0.00 3.38 -1.56 -2.20 115.31 114.71 1bga h LEU 128 Ca 0.37 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 1bga h LEU 128 Cb 0.56 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1bga h LEU 128 CO -0.42 0.85 -0.24 -0.61 0.09 0.00 0.00 178.44 178.11 1bga h GLN 129 N 0.50 0.29 -0.68 1.13 5.75 -0.81 0.52 115.11 121.80 1bga h GLN 129 Ca 0.07 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.46 1bga h GLN 129 Cb 0.75 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.24 1bga h GLN 129 CO 0.06 0.52 0.36 -0.44 -2.65 0.00 0.00 178.83 176.68 1bga h ASP 130 N 0.26 0.84 -0.07 -0.69 3.32 -0.19 -0.61 116.42 119.29 1bga h ASP 130 Ca 0.04 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1bga h ASP 130 Cb 0.58 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1bga h ASP 130 CO 0.04 0.69 0.00 0.00 -1.72 0.00 0.00 179.24 178.25 1bga n ALA 131 N -2.44 2.56 0.00 3.45 0.00 -0.53 -4.83 120.51 118.72 1bga n ALA 131 Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1bga n ALA 131 Cb 0.11 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1bga n ALA 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bga n GLY 132 N 0.86 1.57 7.00 0.00 0.00 -0.24 -4.76 105.19 109.63 1bga n GLY 132 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1bga n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bga n GLY 133 N -0.23 2.73 0.00 -0.02 0.00 0.17 -2.03 105.19 105.81 1bga n GLY 133 Ca 0.00 -0.40 0.04 0.00 0.00 0.00 0.00 46.02 45.66 1bga n GLY 133 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1bga n TRP 134 N 12.39 0.00 0.47 1.61 7.02 -1.26 -1.21 117.44 136.46 1bga n TRP 134 Ca 0.00 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.61 1bga n TRP 134 Cb 0.00 -0.46 0.36 0.00 -2.42 0.00 0.00 31.31 28.80 1bga n TRP 134 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1bga h GLY 135 N 1.55 0.00 -6.98 6.99 0.00 -1.72 -3.36 103.07 99.55 1bga h GLY 135 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.69 1bga h GLY 135 CO 0.00 0.00 -0.62 0.21 0.00 0.00 0.00 176.54 176.13 1bga s ASN 136 N -5.05 5.18 0.32 0.19 3.84 -0.35 -4.92 114.94 114.15 1bga s ASN 136 Ca 0.08 -0.15 0.20 0.00 0.21 0.00 0.00 52.86 53.20 1bga s ASN 136 Cb 0.10 -1.92 1.07 0.00 -0.55 0.00 0.00 41.25 39.96 1bga s ASN 136 CO 0.59 0.02 1.59 0.54 -2.79 0.00 0.00 177.10 177.05 1bga n ARG 137 N 4.55 0.13 0.21 0.43 1.74 -1.26 -0.86 116.66 121.60 1bga n ARG 137 Ca -0.16 0.62 0.05 0.00 -0.77 0.00 0.00 57.85 57.59 1bga n ARG 137 Cb 0.52 -1.98 0.45 0.00 -1.02 0.00 0.00 32.46 30.43 1bga n ARG 137 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1bga h ARG 138 N 0.00 0.00 -0.13 5.56 2.43 -1.94 -1.46 114.38 118.84 1bga h ARG 138 Ca 0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1bga h ARG 138 Cb 0.11 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1bga h ARG 138 CO 0.00 0.29 -0.18 1.15 -1.51 0.00 0.00 179.97 179.73 1bga h THR 139 N 0.00 1.19 -0.88 0.20 2.02 -1.23 -1.48 112.91 112.73 1bga h THR 139 Ca -0.00 -0.88 0.03 0.00 0.77 0.00 0.00 66.41 66.32 1bga h THR 139 Cb 0.58 1.30 -0.05 0.00 -1.74 0.00 0.00 68.15 68.24 1bga h THR 139 CO 0.04 0.27 0.57 0.40 0.37 0.00 0.00 175.52 177.17 1bga h ILE 140 N 0.19 1.17 -0.28 3.11 2.04 -1.40 0.11 117.51 122.45 1bga h ILE 140 Ca 0.04 -0.39 -0.18 0.00 1.00 0.00 0.00 64.86 65.33 1bga h ILE 140 Cb 0.44 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1bga h ILE 140 CO 0.03 0.21 -0.53 1.56 0.00 0.00 0.00 178.15 179.41 1bga h GLN 141 N 1.13 0.85 -0.64 2.37 4.20 -1.38 -1.85 115.11 119.79 1bga h GLN 141 Ca 0.34 -0.54 0.03 0.00 0.06 0.00 0.00 58.65 58.54 1bga h GLN 141 Cb -0.04 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 1bga h GLN 141 CO -0.10 1.18 0.39 0.00 -0.67 0.00 0.00 178.83 179.62 1bga h ALA 142 N 0.67 0.83 -0.31 3.87 0.00 -0.60 -1.92 119.26 121.80 1bga h ALA 142 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1bga h ALA 142 Cb 1.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1bga h ALA 142 CO 0.12 0.12 0.13 0.35 0.00 0.00 0.00 179.25 179.97 1bga h PHE 143 N 0.75 0.47 -0.68 0.00 3.57 -0.60 -1.81 116.94 118.64 1bga h PHE 143 Ca 0.26 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.75 1bga h PHE 143 Cb 0.05 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 1bga h PHE 143 CO -0.06 0.44 0.45 0.28 -2.23 0.00 0.00 178.31 177.20 1bga h VAL 144 N 0.36 1.14 -0.23 1.41 2.07 -1.03 0.17 116.25 120.14 1bga h VAL 144 Ca 0.10 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1bga h VAL 144 Cb 0.17 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1bga h VAL 144 CO -0.01 0.16 0.10 -0.61 0.02 0.00 0.00 177.57 177.24 1bga h GLN 145 N 0.88 0.34 -0.05 1.57 4.15 -1.00 0.13 115.11 121.13 1bga h GLN 145 Ca 0.26 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.66 1bga h GLN 145 Cb -0.04 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.55 1bga h GLN 145 CO -0.06 0.37 -0.16 0.35 -1.93 0.00 0.00 178.83 177.39 1bga h PHE 146 N 0.24 -0.43 -0.18 3.99 3.57 -0.42 -0.69 116.94 123.03 1bga h PHE 146 Ca 0.08 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.63 1bga h PHE 146 Cb 0.14 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 1bga h PHE 146 CO -0.02 -0.24 -0.05 0.00 -2.23 0.00 0.00 178.31 175.77 1bga h ALA 147 N 0.73 0.11 -0.35 2.41 0.00 -0.48 -2.16 119.26 119.51 1bga h ALA 147 Ca 0.07 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1bga h ALA 147 Cb 0.34 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1bga h ALA 147 CO -0.20 -0.49 0.12 0.93 0.00 0.00 0.00 179.25 179.61 1bga h GLU 148 N -0.01 0.26 -0.48 0.00 5.08 -0.72 0.80 114.58 119.50 1bga h GLU 148 Ca 0.09 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.52 1bga h GLU 148 Cb 0.14 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.26 1bga h GLU 148 CO -0.19 0.17 0.02 1.15 -1.00 0.00 0.00 179.01 179.16 1bga h THR 149 N 0.26 0.66 -0.38 1.13 2.02 -0.77 0.33 112.91 116.17 1bga h THR 149 Ca 0.16 -0.05 -0.08 0.00 0.77 0.00 0.00 66.41 67.21 1bga h THR 149 Cb 0.14 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1bga h THR 149 CO -0.17 0.03 -0.09 0.24 0.37 0.00 0.00 175.52 175.90 1bga h MET 150 N 0.14 0.73 -0.75 6.66 2.86 -0.89 0.16 114.93 123.84 1bga h MET 150 Ca 0.24 -0.28 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1bga h MET 150 Cb 0.35 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.93 1bga h MET 150 CO -0.37 0.88 0.49 0.74 1.06 0.00 0.00 176.91 179.70 1bga h PHE 151 N 0.53 0.93 0.01 -0.22 0.04 -0.37 0.93 116.94 118.80 1bga h PHE 151 Ca 0.10 0.02 -0.16 0.00 2.80 0.00 0.00 57.97 60.73 1bga h PHE 151 Cb 0.61 -0.32 0.01 0.00 2.20 0.00 0.00 35.95 38.45 1bga h PHE 151 CO 0.05 0.59 -0.64 0.00 -0.60 0.00 0.00 178.31 177.70 1bga h ARG 152 N 1.01 0.41 -0.67 1.51 3.08 -0.85 -2.53 114.38 116.34 1bga h ARG 152 Ca 0.27 -0.46 -0.02 0.00 0.07 0.00 0.00 59.98 59.84 1bga h ARG 152 Cb -0.11 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1bga h ARG 152 CO -0.06 1.13 0.32 0.93 -1.07 0.00 0.00 179.97 181.21 1bga h GLU 153 N -0.11 0.96 -0.42 0.04 4.39 -0.51 -3.19 114.58 115.74 1bga h GLU 153 Ca -0.08 -0.14 -0.07 0.00 0.34 0.00 0.00 59.36 59.40 1bga h GLU 153 Cb 1.36 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.80 1bga h GLU 153 CO 0.13 0.76 0.05 1.19 -1.16 0.00 0.00 179.01 179.98 1bga n PHE 154 N -4.46 1.46 0.00 4.33 3.01 0.30 -4.92 117.46 117.18 1bga n PHE 154 Ca 0.05 -1.03 0.00 0.00 1.01 0.00 0.00 57.45 57.48 1bga n PHE 154 Cb 0.13 -0.45 0.00 0.00 -0.01 0.00 0.00 39.48 39.15 1bga n PHE 154 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1bga n HIS 155 N -0.36 0.00 1.25 1.38 -0.00 -0.95 -0.84 115.22 115.70 1bga n HIS 155 Ca 0.28 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.46 1bga n HIS 155 Cb 1.07 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.94 1bga n HIS 155 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1bga n GLY 156 N -0.17 0.46 0.10 1.57 0.00 -1.26 -3.54 105.19 102.35 1bga n GLY 156 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1bga n GLY 156 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bga n LYS 157 N -0.17 0.68 -5.10 1.61 5.02 -0.02 -4.93 118.16 115.26 1bga n LYS 157 Ca 0.00 0.03 -0.32 0.00 -2.02 0.00 0.00 58.31 56.00 1bga n LYS 157 Cb 0.14 -1.55 -0.15 0.00 -0.02 0.00 0.00 35.03 33.44 1bga n LYS 157 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1bga s ILE 158 N -2.50 2.48 -0.11 -0.18 1.01 -1.08 -4.71 121.20 116.10 1bga s ILE 158 Ca -0.10 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.64 1bga s ILE 158 Cb 0.06 -1.94 0.01 0.00 0.01 0.00 0.00 42.46 40.60 1bga s ILE 158 CO 0.82 0.57 0.52 0.00 0.00 0.00 0.00 174.94 176.85 1bga n GLN 159 N 2.78 -0.69 -3.86 2.79 1.13 -1.26 -4.45 117.38 113.81 1bga n GLN 159 Ca -0.17 -0.54 -0.19 0.00 -1.94 0.00 0.00 57.00 54.16 1bga n GLN 159 Cb 0.52 -1.01 -0.17 0.00 0.11 0.00 0.00 30.24 29.70 1bga n GLN 159 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1bga s HIS 160 N -0.10 0.35 0.05 1.08 3.76 -1.25 -1.24 115.29 117.93 1bga s HIS 160 Ca 0.01 0.00 0.03 0.00 -0.15 0.00 0.00 55.06 54.96 1bga s HIS 160 Cb 0.01 -0.50 -0.03 0.00 1.11 0.00 0.00 32.58 33.17 1bga s HIS 160 CO 0.01 -0.18 -0.10 -1.58 -0.85 0.00 0.00 174.74 172.04 1bga s TRP 161 N 1.38 0.89 -0.02 1.40 0.52 -0.32 -0.90 118.94 121.89 1bga s TRP 161 Ca -0.05 -0.47 0.02 0.00 0.02 0.00 0.00 56.10 55.63 1bga s TRP 161 Cb -0.13 -0.52 0.00 0.00 -1.15 0.00 0.00 33.47 31.67 1bga s TRP 161 CO -0.03 -0.02 -0.09 -0.51 0.02 0.00 0.00 176.95 176.32 1bga s LEU 162 N -1.59 1.85 -0.03 2.99 1.43 0.44 -1.35 118.68 122.41 1bga s LEU 162 Ca -0.06 -0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 52.84 1bga s LEU 162 Cb -0.10 -0.50 -0.01 0.00 0.03 0.00 0.00 46.19 45.60 1bga s LEU 162 CO 0.01 0.07 0.21 0.71 0.23 0.00 0.00 176.35 177.59 1bga h THR 163 N 5.26 0.00 -4.00 5.49 1.35 -1.26 -1.51 112.91 118.24 1bga h THR 163 Ca -0.32 -0.34 -0.69 0.00 -0.55 0.00 0.00 66.41 64.51 1bga h THR 163 Cb 1.17 0.00 -0.23 0.00 -1.73 0.00 0.00 68.15 67.36 1bga h THR 163 CO 0.49 0.00 -0.86 -0.36 -0.25 0.00 0.00 175.52 174.54 1bga s PHE 164 N -1.74 2.34 -0.21 4.73 0.40 -1.26 -1.21 117.98 121.02 1bga s PHE 164 Ca -0.01 -0.37 -0.01 0.00 -0.60 0.00 0.00 56.93 55.93 1bga s PHE 164 Cb 0.00 -1.30 0.01 0.00 0.51 0.00 0.00 43.02 42.24 1bga s PHE 164 CO 0.04 0.28 -0.11 1.21 0.70 0.00 0.00 175.22 177.35 1bga s ASN 165 N -1.82 3.87 -0.84 1.36 3.84 -0.92 -1.66 114.94 118.77 1bga s ASN 165 Ca 0.14 -0.65 -0.03 0.00 0.21 0.00 0.00 52.86 52.53 1bga s ASN 165 Cb -0.10 -1.62 -0.03 0.00 -0.55 0.00 0.00 41.25 38.95 1bga s ASN 165 CO 0.05 -0.05 0.76 -0.62 -2.79 0.00 0.00 177.10 174.45 1bga n GLU 166 N 4.68 -1.66 -0.10 0.43 1.02 0.19 -4.79 120.64 120.41 1bga n GLU 166 Ca -0.19 1.16 0.16 0.00 -0.02 0.00 0.00 57.16 58.27 1bga n GLU 166 Cb 0.49 -5.57 0.56 0.00 -0.02 0.00 0.00 31.44 26.90 1bga n GLU 166 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1bga h PRO 167 N -0.25 0.27 -0.48 3.49 0.11 -1.87 -0.75 132.00 132.53 1bga h PRO 167 Ca -0.27 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 1bga h PRO 167 Cb 1.14 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1bga h PRO 167 CO 0.35 0.18 0.26 2.35 -0.21 0.00 0.00 178.00 180.92 1bga h TRP 168 N 0.28 0.66 -0.36 0.65 7.01 -1.88 0.55 115.95 122.86 1bga h TRP 168 Ca 0.32 -0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.21 1bga h TRP 168 Cb 0.84 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.68 1bga h TRP 168 CO -0.00 0.50 -0.13 0.00 -2.79 0.00 0.00 178.44 176.01 1bga h ILE 170 N 0.50 1.10 0.00 0.00 2.04 -1.13 -0.96 117.51 119.07 1bga h ILE 170 Ca 0.08 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1bga h ILE 170 Cb 0.66 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1bga h ILE 170 CO 0.04 0.15 -0.21 0.00 0.00 0.00 0.00 178.15 178.13 1bga h ALA 171 N 1.28 0.00 0.06 1.87 0.00 -0.85 -3.39 119.26 118.23 1bga h ALA 171 Ca 0.26 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1bga h ALA 171 Cb 0.00 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1bga h ALA 171 CO -0.10 0.21 -0.58 0.74 0.00 0.00 0.00 179.25 179.52 1bga h PHE 172 N -0.51 0.47 -0.61 0.00 0.04 -1.11 -0.48 116.94 114.74 1bga h PHE 172 Ca 0.00 -0.30 -0.08 0.00 2.80 0.00 0.00 57.97 60.39 1bga h PHE 172 Cb 0.21 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 1bga h PHE 172 CO -0.09 1.17 0.07 1.25 -0.60 0.00 0.00 178.31 180.11 1bga h LEU 173 N -0.36 1.00 0.06 1.54 5.85 -1.39 0.89 115.31 122.91 1bga h LEU 173 Ca -0.09 -0.28 -0.27 0.00 0.84 0.00 0.00 57.88 58.09 1bga h LEU 173 Cb 1.38 -0.27 0.02 0.00 0.37 0.00 0.00 40.66 42.17 1bga h LEU 173 CO 0.11 1.03 -1.08 0.28 -0.34 0.00 0.00 178.44 178.44 1bga h SER 174 N 0.94 0.85 0.00 1.25 0.02 -1.28 -1.22 113.55 114.11 1bga h SER 174 Ca 0.18 -0.79 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 1bga h SER 174 Cb 0.47 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1bga h SER 174 CO 0.02 1.54 -1.10 0.59 -1.14 0.00 0.00 176.83 176.74 1bga n ASN 175 N -3.88 1.05 -0.09 3.07 3.02 -0.19 -0.70 115.26 117.54 1bga n ASN 175 Ca -0.12 -0.50 -0.17 0.00 -0.03 0.00 0.00 54.58 53.75 1bga n ASN 175 Cb 0.91 1.28 -0.07 0.00 -0.61 0.00 0.00 39.78 41.29 1bga n ASN 175 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1bga n MET 176 N -1.62 0.40 0.06 3.52 1.56 0.17 0.21 117.12 121.42 1bga n MET 176 Ca 0.00 0.15 0.12 0.00 -0.27 0.00 0.00 57.70 57.70 1bga n MET 176 Cb 0.29 -1.21 0.08 0.00 2.15 0.00 0.00 33.22 34.53 1bga n MET 176 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1bga n LEU 177 N -3.58 0.69 -1.10 -0.89 4.77 -0.37 -4.08 117.00 112.44 1bga n LEU 177 Ca -0.35 0.17 -0.14 0.00 -0.03 0.00 0.00 56.01 55.66 1bga n LEU 177 Cb 0.78 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.68 1bga n LEU 177 CO 0.07 -0.06 -0.14 0.61 -1.33 0.00 0.00 177.39 176.54 1bga n GLY 178 N 1.31 1.45 0.08 -0.72 0.00 -0.40 -4.89 105.19 102.02 1bga n GLY 178 Ca 0.02 -0.20 -0.05 0.00 0.00 0.00 0.00 46.02 45.79 1bga n GLY 178 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1bga h VAL 179 N 0.00 1.41 -2.29 1.61 2.07 -1.50 -3.41 116.25 114.14 1bga h VAL 179 Ca -0.29 -3.04 -0.61 0.00 0.82 0.00 0.00 66.70 63.57 1bga h VAL 179 Cb 1.04 2.69 -0.14 0.00 -1.52 0.00 0.00 31.29 33.36 1bga h VAL 179 CO 0.43 0.80 -0.76 -1.00 0.02 0.00 0.00 177.57 177.07 1bga s HIS 180 N -2.76 2.32 0.44 1.57 3.76 -1.22 -4.75 115.29 114.66 1bga s HIS 180 Ca 0.01 -0.32 -0.25 0.00 -0.15 0.00 0.00 55.06 54.35 1bga s HIS 180 Cb 0.09 -1.02 -0.09 0.00 1.11 0.00 0.00 32.58 32.67 1bga s HIS 180 CO 0.80 0.70 1.27 0.00 -0.85 0.00 0.00 174.74 176.66 1bga n ALA 181 N -0.57 1.30 1.76 -1.40 0.00 -1.26 0.23 120.51 120.57 1bga n ALA 181 Ca -0.06 0.24 0.08 0.00 0.00 0.00 0.00 53.44 53.71 1bga n ALA 181 Cb 0.60 -2.27 0.50 0.00 0.00 0.00 0.00 19.45 18.28 1bga n ALA 181 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1bga n PRO 182 N -0.11 0.88 -2.06 0.00 -0.04 -1.26 -4.73 135.00 127.67 1bga n PRO 182 Ca 0.07 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.49 1bga n PRO 182 Cb 0.40 -1.30 -0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1bga n PRO 182 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bga n GLY 183 N 0.61 0.20 3.92 0.55 0.00 0.14 -5.03 105.19 105.58 1bga n GLY 183 Ca 0.13 -0.70 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 1bga n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bga s LEU 184 N -1.28 3.41 -0.43 0.99 1.43 0.12 -4.57 118.68 118.36 1bga s LEU 184 Ca 0.00 0.67 0.08 0.00 -1.03 0.00 0.00 54.13 53.85 1bga s LEU 184 Cb 0.00 -3.54 0.27 0.00 0.03 0.00 0.00 46.19 42.95 1bga s LEU 184 CO 0.00 -0.87 0.59 0.35 0.23 0.00 0.00 176.35 176.65 1bga n THR 185 N -2.40 -0.10 -3.67 5.49 -2.24 -0.90 -1.28 114.28 109.18 1bga n THR 185 Ca 0.03 -4.30 -0.16 0.00 -2.27 0.00 0.00 64.05 57.34 1bga n THR 185 Cb 0.57 -1.73 -0.15 0.00 -2.10 0.00 0.00 70.33 66.92 1bga n THR 185 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1bga s ASN 186 N -1.60 0.67 0.12 3.42 3.84 0.13 -4.90 114.94 116.62 1bga s ASN 186 Ca 0.37 0.38 -0.27 0.00 0.21 0.00 0.00 52.86 53.55 1bga s ASN 186 Cb 0.20 0.35 -0.07 0.00 -0.55 0.00 0.00 41.25 41.18 1bga s ASN 186 CO -0.09 -0.24 1.62 0.25 -2.79 0.00 0.00 177.10 175.85 1bga h LEU 187 N 8.34 -0.86 -0.84 3.21 6.46 -1.89 -0.68 115.31 129.05 1bga h LEU 187 Ca -0.14 0.11 0.07 0.00 -0.12 0.00 0.00 57.88 57.80 1bga h LEU 187 Cb 1.12 0.34 -0.06 0.00 -0.73 0.00 0.00 40.66 41.32 1bga h LEU 187 CO 0.14 -0.37 0.51 -0.61 -0.62 0.00 0.00 178.44 177.49 1bga h GLN 188 N -0.48 0.90 -0.67 1.25 5.75 -1.94 -0.28 115.11 119.63 1bga h GLN 188 Ca 0.04 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1bga h GLN 188 Cb 0.54 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.85 1bga h GLN 188 CO -0.21 0.59 0.40 1.15 -2.65 0.00 0.00 178.83 178.11 1bga h THR 189 N 0.93 1.20 -0.65 2.39 2.02 -1.78 0.15 112.91 117.16 1bga h THR 189 Ca 0.37 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1bga h THR 189 Cb 0.20 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 1bga h THR 189 CO -0.18 0.21 0.36 0.00 0.37 0.00 0.00 175.52 176.27 1bga h ALA 190 N 1.20 0.83 -0.63 6.16 0.00 0.02 -0.80 119.26 126.05 1bga h ALA 190 Ca 0.24 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1bga h ALA 190 Cb -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1bga h ALA 190 CO -0.04 0.35 0.04 0.82 0.00 0.00 0.00 179.25 180.42 1bga h ILE 191 N 0.89 1.26 -0.26 0.00 2.04 -0.49 -0.34 117.51 120.61 1bga h ILE 191 Ca 0.23 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 1bga h ILE 191 Cb 0.04 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1bga h ILE 191 CO -0.04 0.41 0.12 0.44 0.00 0.00 0.00 178.15 179.09 1bga h ASP 192 N 0.99 0.34 -0.25 1.72 3.32 -0.31 0.08 116.42 122.30 1bga h ASP 192 Ca 0.18 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.13 1bga h ASP 192 Cb 0.51 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1bga h ASP 192 CO 0.02 0.37 0.11 0.58 -1.72 0.00 0.00 179.24 178.60 1bga h VAL 193 N 0.29 0.97 -0.56 -1.35 2.07 -0.92 0.92 116.25 117.67 1bga h VAL 193 Ca 0.09 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.56 1bga h VAL 193 Cb 0.12 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1bga h VAL 193 CO -0.01 0.04 0.33 1.23 0.02 0.00 0.00 177.57 179.18 1bga h GLY 194 N 0.24 0.79 0.86 2.17 0.00 -0.78 -1.02 103.07 105.34 1bga h GLY 194 Ca 0.11 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 1bga h GLY 194 CO -0.09 0.20 -0.04 0.84 0.00 0.00 0.00 176.54 177.45 1bga h HIS 195 N 0.65 0.56 -0.26 5.60 6.17 -0.51 -2.56 115.15 124.80 1bga h HIS 195 Ca 0.23 -0.11 -0.07 0.00 0.71 0.00 0.00 60.37 61.12 1bga h HIS 195 Cb 0.04 -0.14 -0.01 0.00 2.52 0.00 0.00 27.41 29.81 1bga h HIS 195 CO -0.06 0.69 -0.16 0.45 0.71 0.00 0.00 177.93 179.56 1bga h HIS 196 N 0.27 0.48 -0.04 5.26 3.86 -0.63 -1.46 115.15 122.88 1bga h HIS 196 Ca 0.07 -0.08 -0.11 0.00 -1.16 0.00 0.00 60.37 59.09 1bga h HIS 196 Cb 0.50 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 1bga h HIS 196 CO 0.05 0.59 -0.49 1.37 0.86 0.00 0.00 177.93 180.31 1bga h LEU 197 N 0.41 0.12 -0.40 2.43 8.10 -1.15 0.02 115.31 124.85 1bga h LEU 197 Ca 0.07 -0.06 -0.10 0.00 0.11 0.00 0.00 57.88 57.91 1bga h LEU 197 Cb 0.52 -0.03 -0.01 0.00 -0.44 0.00 0.00 40.66 40.70 1bga h LEU 197 CO 0.03 0.59 -0.13 -0.07 -4.11 0.00 0.00 178.44 174.75 1bga h LEU 198 N 0.09 0.81 -0.24 0.17 3.38 -0.96 0.23 115.31 118.79 1bga h LEU 198 Ca 0.00 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 1bga h LEU 198 Cb 0.90 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1bga h LEU 198 CO 0.07 1.00 0.07 0.58 0.09 0.00 0.00 178.44 180.25 1bga h VAL 199 N 0.61 1.20 -0.67 1.22 2.07 -1.03 -0.34 116.25 119.31 1bga h VAL 199 Ca 0.10 -0.64 0.08 0.00 0.82 0.00 0.00 66.70 67.06 1bga h VAL 199 Cb 0.67 1.16 -0.07 0.00 -1.52 0.00 0.00 31.29 31.54 1bga h VAL 199 CO 0.05 0.21 0.33 0.00 0.02 0.00 0.00 177.57 178.18 1bga h ALA 200 N 0.90 0.91 0.38 1.67 0.00 -0.80 -0.71 119.26 121.60 1bga h ALA 200 Ca 0.08 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1bga h ALA 200 Cb 0.25 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1bga h ALA 200 CO -0.00 -0.05 -0.21 1.25 0.00 0.00 0.00 179.25 180.24 1bga h HIS 201 N 0.59 -0.56 -0.30 0.00 6.17 -0.15 -1.50 115.15 119.41 1bga h HIS 201 Ca 0.32 -0.01 0.06 0.00 0.71 0.00 0.00 60.37 61.46 1bga h HIS 201 Cb 0.31 0.19 -0.06 0.00 2.52 0.00 0.00 27.41 30.37 1bga h HIS 201 CO -0.11 -0.34 -0.10 0.78 0.71 0.00 0.00 177.93 178.88 1bga h GLY 202 N -0.56 0.18 0.85 5.26 0.00 -0.28 -2.02 103.07 106.51 1bga h GLY 202 Ca -0.04 0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.45 1bga h GLY 202 CO 0.06 -0.13 0.48 1.41 0.00 0.00 0.00 176.54 178.35 1bga h LEU 203 N -0.03 0.78 -1.21 3.11 3.38 -1.08 -2.17 115.31 118.09 1bga h LEU 203 Ca 0.15 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1bga h LEU 203 Cb 0.26 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1bga h LEU 203 CO -0.33 0.54 0.05 0.28 0.09 0.00 0.00 178.44 179.07 1bga h SER 204 N 0.93 0.55 -0.47 -0.43 0.02 -0.73 -0.50 113.55 112.92 1bga h SER 204 Ca 0.31 -0.10 -0.13 0.00 -0.84 0.00 0.00 61.79 61.03 1bga h SER 204 Cb 0.03 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1bga h SER 204 CO -0.12 0.59 -0.22 0.58 -1.14 0.00 0.00 176.83 176.52 1bga h VAL 205 N 0.58 1.27 0.26 2.27 2.07 -0.92 -0.11 116.25 121.67 1bga h VAL 205 Ca 0.13 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.26 1bga h VAL 205 Cb 0.29 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1bga h VAL 205 CO 0.00 0.48 -0.26 0.03 0.02 0.00 0.00 177.57 177.84 1bga h ARG 206 N 0.85 -0.53 -0.98 1.57 3.08 -0.71 0.85 114.38 118.50 1bga h ARG 206 Ca 0.11 0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.31 1bga h ARG 206 Cb 0.80 0.12 -0.08 0.00 0.08 0.00 0.00 29.97 30.89 1bga h ARG 206 CO 0.07 -0.36 0.62 0.00 -1.07 0.00 0.00 179.97 179.23 1bga h ARG 207 N -0.56 0.93 -0.44 0.04 2.47 -0.96 0.25 114.38 116.12 1bga h ARG 207 Ca -0.01 -0.06 0.03 0.00 -1.26 0.00 0.00 59.98 58.68 1bga h ARG 207 Cb 0.51 -0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 28.59 1bga h ARG 207 CO -0.06 0.62 0.25 0.35 0.56 0.00 0.00 179.97 181.69 1bga h PHE 208 N 0.96 0.46 0.04 3.04 3.57 -0.09 0.10 116.94 125.02 1bga h PHE 208 Ca 0.48 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 62.00 1bga h PHE 208 Cb 0.49 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.09 1bga h PHE 208 CO -0.00 0.25 -0.02 0.00 -2.23 0.00 0.00 178.31 176.31 1bga h ARG 209 N 0.49 -0.05 -0.77 1.11 2.47 0.95 -2.31 114.38 116.28 1bga h ARG 209 Ca 0.18 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.90 1bga h ARG 209 Cb 0.05 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.34 1bga h ARG 209 CO -0.10 0.26 0.45 0.93 0.56 0.00 0.00 179.97 182.07 1bga h GLU 210 N -0.36 1.05 0.00 0.04 5.08 -0.32 -1.26 114.58 118.81 1bga h GLU 210 Ca -0.01 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1bga h GLU 210 Cb 0.33 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1bga h GLU 210 CO 0.01 0.75 0.00 1.28 -1.00 0.00 0.00 179.01 180.04 1bga n LEU 211 N -4.48 0.50 -1.87 1.33 4.77 0.33 -4.89 117.00 112.69 1bga n LEU 211 Ca 0.07 0.59 -0.15 0.00 -0.03 0.00 0.00 56.01 56.49 1bga n LEU 211 Cb 0.06 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1bga n LEU 211 CO 0.37 -0.35 -0.14 0.61 -1.33 0.00 0.00 177.39 176.56 1bga n GLY 212 N 0.48 -0.23 3.71 -0.72 0.00 -0.48 -4.95 105.19 103.00 1bga n GLY 212 Ca 0.04 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 1bga n GLY 212 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bga n THR 213 N -4.06 4.27 -2.65 2.61 -1.04 -0.91 -4.96 114.28 107.54 1bga n THR 213 Ca -0.15 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.05 61.00 1bga n THR 213 Cb 0.62 -1.49 -0.05 0.00 -1.82 0.00 0.00 70.33 67.59 1bga n THR 213 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1bga s SER 214 N -1.17 6.89 0.00 8.00 1.04 -1.26 -4.92 113.70 122.28 1bga s SER 214 Ca 0.77 1.91 0.00 0.00 0.48 0.00 0.00 55.95 59.11 1bga s SER 214 Cb -0.40 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.14 1bga s SER 214 CO 0.45 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.89 1bga n GLY 215 N 0.15 -1.82 3.46 7.32 0.00 -1.26 -4.53 105.19 108.51 1bga n GLY 215 Ca 0.05 -1.99 -0.25 0.00 0.00 0.00 0.00 46.02 43.83 1bga n GLY 215 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1bga s GLN 216 N 0.00 1.64 0.01 1.61 -2.07 -0.38 -4.98 119.66 115.50 1bga s GLN 216 Ca 0.00 -1.66 -0.00 0.00 -1.82 0.00 0.00 55.36 51.88 1bga s GLN 216 Cb 0.00 -1.82 -0.01 0.00 -1.09 0.00 0.00 33.01 30.09 1bga s GLN 216 CO 0.00 0.36 -0.01 -1.50 -1.32 0.00 0.00 175.29 172.82 1bga s ILE 217 N -2.17 0.06 0.00 3.63 2.07 -1.26 -1.17 121.20 122.36 1bga s ILE 217 Ca 0.26 -0.49 0.00 0.00 -1.41 0.00 0.00 60.65 59.02 1bga s ILE 217 Cb -0.06 -0.16 0.00 0.00 0.13 0.00 0.00 42.46 42.37 1bga s ILE 217 CO 0.13 -0.27 0.00 0.61 -1.91 0.00 0.00 174.94 173.50 1bga n GLY 218 N 2.27 3.06 3.14 1.50 0.00 -0.46 -0.92 105.19 113.78 1bga n GLY 218 Ca -0.18 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 44.82 1bga n GLY 218 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1bga s ILE 219 N -2.80 0.80 -0.60 -0.61 2.07 -1.24 -0.78 121.20 118.05 1bga s ILE 219 Ca 0.00 -1.47 0.04 0.00 -1.41 0.00 0.00 60.65 57.81 1bga s ILE 219 Cb 0.00 -1.14 0.16 0.00 0.13 0.00 0.00 42.46 41.61 1bga s ILE 219 CO 0.00 -0.51 0.40 0.00 -1.91 0.00 0.00 174.94 172.92 1bga s ALA 220 N -2.16 3.16 0.47 1.50 0.00 -0.67 -0.28 121.76 123.78 1bga s ALA 220 Ca 0.01 -3.38 -0.22 0.00 0.00 0.00 0.00 51.96 48.37 1bga s ALA 220 Cb -0.05 -2.04 -0.08 0.00 0.00 0.00 0.00 23.12 20.95 1bga s ALA 220 CO -0.00 -2.06 1.09 -1.25 0.00 0.00 0.00 175.76 173.53 1bga s PRO 221 N -0.80 3.78 0.06 0.00 0.04 -1.11 -0.64 135.00 136.32 1bga s PRO 221 Ca 0.24 1.54 -0.25 0.00 0.04 0.00 0.00 61.00 62.57 1bga s PRO 221 Cb -0.09 -2.25 -0.06 0.00 0.04 0.00 0.00 34.50 32.14 1bga s PRO 221 CO -0.12 -0.48 0.78 0.54 0.04 0.00 0.00 177.00 177.75 1bga s ASN 222 N -1.70 7.24 -0.11 6.66 4.22 -1.26 -2.39 114.94 127.60 1bga s ASN 222 Ca 0.66 1.48 -0.06 0.00 -2.14 0.00 0.00 52.86 52.80 1bga s ASN 222 Cb -0.22 -2.48 -0.04 0.00 1.28 0.00 0.00 41.25 39.79 1bga s ASN 222 CO 0.26 0.02 0.12 -0.69 -2.04 0.00 0.00 177.10 174.78 1bga s VAL 223 N -0.13 5.31 0.26 3.54 1.01 -0.21 -4.46 120.40 125.72 1bga s VAL 223 Ca 0.39 0.11 0.11 0.00 0.00 0.00 0.00 61.98 62.59 1bga s VAL 223 Cb -0.21 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 1bga s VAL 223 CO 0.24 0.60 -0.12 -0.94 0.00 0.00 0.00 175.10 174.87 1bga s SER 224 N -1.06 3.97 -0.17 3.32 1.04 -1.26 -4.70 113.70 114.84 1bga s SER 224 Ca 0.15 -0.85 -0.07 0.00 0.48 0.00 0.00 55.95 55.67 1bga s SER 224 Cb -0.12 -0.53 0.08 0.00 0.10 0.00 0.00 66.02 65.55 1bga s SER 224 CO 0.05 0.04 0.37 0.86 0.98 0.00 0.00 173.24 175.53 1bga s TRP 225 N -2.33 -0.64 0.01 5.02 -0.11 -1.26 -4.79 118.94 114.83 1bga s TRP 225 Ca 0.30 1.30 0.04 0.00 1.22 0.00 0.00 56.10 58.96 1bga s TRP 225 Cb -0.06 0.20 -0.01 0.00 -1.50 0.00 0.00 33.47 32.09 1bga s TRP 225 CO 0.16 -0.41 -0.13 0.00 -4.62 0.00 0.00 176.95 171.95 1bga s ALA 226 N 2.28 1.11 -0.04 5.86 0.00 -1.26 -1.36 121.76 128.35 1bga s ALA 226 Ca -0.03 -0.64 0.07 0.00 0.00 0.00 0.00 51.96 51.36 1bga s ALA 226 Cb -0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 1bga s ALA 226 CO -0.11 0.25 -0.25 0.08 0.00 0.00 0.00 175.76 175.72 1bga s VAL 227 N -0.47 2.06 0.32 0.00 1.01 -0.02 -4.90 120.40 118.38 1bga s VAL 227 Ca 0.04 -1.08 -0.29 0.00 0.00 0.00 0.00 61.98 60.65 1bga s VAL 227 Cb -0.06 -1.73 -0.10 0.00 0.00 0.00 0.00 36.38 34.49 1bga s VAL 227 CO 0.00 0.57 1.26 -2.16 0.00 0.00 0.00 175.10 174.77 1bga s PRO 228 N -0.33 4.43 -0.01 2.72 0.04 -1.26 -0.76 135.00 139.82 1bga s PRO 228 Ca 0.02 2.11 -0.26 0.00 0.04 0.00 0.00 61.00 62.91 1bga s PRO 228 Cb -0.12 -3.10 -0.20 0.00 0.04 0.00 0.00 34.50 31.12 1bga s PRO 228 CO 0.02 -0.09 1.30 -0.92 0.04 0.00 0.00 177.00 177.35 1bga h TYR 229 N 3.54 -0.02 -1.26 0.56 3.20 -1.45 -3.46 116.97 118.08 1bga h TYR 229 Ca -0.48 -0.00 -0.54 0.00 3.14 0.00 0.00 58.73 60.85 1bga h TYR 229 Cb 1.22 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 39.45 1bga h TYR 229 CO 0.57 0.42 -0.39 -1.54 -1.64 0.00 0.00 178.16 175.57 1bga s SER 230 N -5.62 4.73 0.00 -2.11 1.04 -1.26 -5.01 113.70 105.48 1bga s SER 230 Ca -0.16 -1.00 0.23 0.00 0.48 0.00 0.00 55.95 55.51 1bga s SER 230 Cb 0.02 -0.25 1.20 0.00 0.10 0.00 0.00 66.02 67.09 1bga s SER 230 CO 0.66 -0.75 1.79 0.35 0.98 0.00 0.00 173.24 176.27 1bga n THR 231 N -1.52 0.04 -1.93 2.02 -2.24 -1.26 -4.68 114.28 104.72 1bga n THR 231 Ca 0.01 -0.09 -0.37 0.00 -2.27 0.00 0.00 64.05 61.32 1bga n THR 231 Cb 0.63 -0.14 0.04 0.00 -2.10 0.00 0.00 70.33 68.76 1bga n THR 231 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bga s SER 232 N -1.70 5.27 0.34 3.42 1.04 -1.26 -4.89 113.70 115.92 1bga s SER 232 Ca 0.34 2.55 0.07 0.00 0.48 0.00 0.00 55.95 59.39 1bga s SER 232 Cb 0.16 -2.62 0.62 0.00 0.10 0.00 0.00 66.02 64.29 1bga s SER 232 CO 0.27 -1.55 1.83 -0.08 0.98 0.00 0.00 173.24 174.69 1bga h GLU 233 N 1.22 0.33 -0.47 4.02 4.57 -1.98 -1.27 114.58 121.00 1bga h GLU 233 Ca -0.51 -0.10 -0.09 0.00 -1.18 0.00 0.00 59.36 57.49 1bga h GLU 233 Cb 1.30 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.84 1bga h GLU 233 CO 0.56 0.51 -0.04 1.05 -1.18 0.00 0.00 179.01 179.91 1bga h GLU 234 N 0.30 0.85 -0.57 1.92 4.11 -1.97 0.12 114.58 119.35 1bga h GLU 234 Ca 0.05 -0.29 -0.09 0.00 0.07 0.00 0.00 59.36 59.10 1bga h GLU 234 Cb 0.51 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1bga h GLU 234 CO 0.03 0.92 -0.01 -0.44 0.07 0.00 0.00 179.01 179.58 1bga h ASP 235 N 0.70 0.97 -0.89 3.06 5.19 -1.80 -0.80 116.42 122.84 1bga h ASP 235 Ca 0.13 -0.27 -0.01 0.00 -0.62 0.00 0.00 57.03 56.25 1bga h ASP 235 Cb 0.57 -0.26 -0.04 0.00 0.18 0.00 0.00 39.33 39.77 1bga h ASP 235 CO 0.03 1.03 0.50 0.50 -3.12 0.00 0.00 179.24 178.18 1bga h LYS 236 N 0.90 1.24 -0.30 3.56 3.64 -0.95 -1.86 116.57 122.81 1bga h LYS 236 Ca 0.16 -0.14 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 1bga h LYS 236 Cb 0.55 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1bga h LYS 236 CO 0.03 0.90 -0.14 0.00 -2.27 0.00 0.00 179.45 177.97 1bga h ALA 237 N 1.30 0.42 -0.70 5.00 0.00 -0.35 -2.06 119.26 122.87 1bga h ALA 237 Ca 0.32 -0.33 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1bga h ALA 237 Cb 0.01 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 1bga h ALA 237 CO -0.05 0.30 0.36 0.00 0.00 0.00 0.00 179.25 179.86 1bga h ALA 238 N 0.76 0.96 -0.17 0.00 0.00 -0.84 -0.23 119.26 119.74 1bga h ALA 238 Ca 0.07 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1bga h ALA 238 Cb 0.66 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1bga h ALA 238 CO 0.04 -0.03 -0.36 0.00 0.00 0.00 0.00 179.25 178.90 1bga h ALA 240 N 1.32 0.81 -0.25 0.00 0.00 -0.44 -0.32 119.26 120.39 1bga h ALA 240 Ca 0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1bga h ALA 240 Cb 0.78 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1bga h ALA 240 CO 0.06 0.53 0.04 0.00 0.00 0.00 0.00 179.25 179.88 1bga h ARG 241 N 0.90 0.41 -0.39 0.00 3.08 -0.78 0.58 114.38 118.18 1bga h ARG 241 Ca 0.19 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 60.15 1bga h ARG 241 Cb 0.36 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1bga h ARG 241 CO 0.00 0.54 0.23 1.15 -1.07 0.00 0.00 179.97 180.83 1bga h THR 242 N 0.21 1.06 0.11 2.04 2.02 -1.16 -2.01 112.91 115.18 1bga h THR 242 Ca 0.07 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1bga h THR 242 Cb 0.33 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1bga h THR 242 CO 0.00 0.09 -0.05 0.40 0.37 0.00 0.00 175.52 176.33 1bga h ILE 243 N 0.48 1.08 -0.39 3.11 2.04 -0.98 -3.34 117.51 119.51 1bga h ILE 243 Ca 0.15 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 1bga h ILE 243 Cb -0.01 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1bga h ILE 243 CO -0.06 0.20 0.15 0.28 0.00 0.00 0.00 178.15 178.71 1bga h SER 244 N -0.54 0.49 -0.12 1.72 0.02 -0.80 -2.91 113.55 111.41 1bga h SER 244 Ca -0.01 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.81 1bga h SER 244 Cb 0.43 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 1bga h SER 244 CO 0.02 0.46 -0.14 0.25 -1.14 0.00 0.00 176.83 176.29 1bga h LEU 245 N 0.54 0.46 -0.06 5.07 5.85 -1.48 0.46 115.31 126.15 1bga h LEU 245 Ca 0.13 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1bga h LEU 245 Cb 0.13 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1bga h LEU 245 CO -0.01 0.63 -0.22 0.45 -0.34 0.00 0.00 178.44 178.94 1bga h HIS 246 N 0.44 0.34 0.00 1.25 3.86 -1.64 -3.38 115.15 116.01 1bga h HIS 246 Ca 0.08 -0.14 -0.05 0.00 -1.16 0.00 0.00 60.37 59.10 1bga h HIS 246 Cb 0.50 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 1bga h HIS 246 CO 0.02 0.84 -0.78 -1.13 0.86 0.00 0.00 177.93 177.73 1bga n SER 247 N -4.53 1.45 -0.36 2.45 3.41 -1.14 -4.61 113.62 110.28 1bga n SER 247 Ca -0.08 0.23 0.05 0.00 -0.26 0.00 0.00 58.87 58.81 1bga n SER 247 Cb 0.44 -0.53 0.21 0.00 -0.26 0.00 0.00 64.21 64.08 1bga n SER 247 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1bga h ASP 248 N -0.53 0.98 -0.06 4.04 3.32 -1.38 0.30 116.42 123.09 1bga h ASP 248 Ca -0.07 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.02 1bga h ASP 248 Cb 0.68 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 1bga h ASP 248 CO -0.04 0.57 0.07 -0.25 -1.72 0.00 0.00 179.24 177.87 1bga h TRP 249 N 1.08 0.00 0.00 4.55 7.01 -0.33 0.12 115.95 128.37 1bga h TRP 249 Ca 0.47 0.00 -0.24 0.00 2.11 0.00 0.00 58.89 61.23 1bga h TRP 249 Cb 0.34 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.36 1bga h TRP 249 CO -0.00 0.00 -1.89 1.19 -2.79 0.00 0.00 178.44 174.95 1bga n PHE 250 N -3.76 0.00 0.02 2.65 3.72 -0.51 -4.57 117.46 115.01 1bga n PHE 250 Ca -0.01 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.31 1bga n PHE 250 Cb 0.17 -0.64 -0.12 0.00 -0.94 0.00 0.00 39.48 37.94 1bga n PHE 250 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1bga h LEU 251 N 0.00 0.00 -0.34 4.37 3.38 -0.08 -3.19 115.31 119.45 1bga h LEU 251 Ca -0.35 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.55 1bga h LEU 251 Cb 1.80 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.54 1bga h LEU 251 CO 0.02 0.97 -0.06 -0.61 0.09 0.00 0.00 178.44 178.85 1bga h GLN 252 N 0.00 0.64 -0.51 1.13 4.15 -0.99 0.14 115.11 119.66 1bga h GLN 252 Ca -0.15 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.04 1bga h GLN 252 Cb 1.87 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 29.49 1bga h GLN 252 CO 0.10 0.79 0.33 -1.35 -1.93 0.00 0.00 178.83 176.77 1bga h PRO 253 N 0.43 0.68 -0.57 -2.39 0.11 -1.26 1.01 132.00 130.01 1bga h PRO 253 Ca 0.09 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.13 1bga h PRO 253 Cb 0.54 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 1bga h PRO 253 CO 0.03 0.47 0.29 0.82 -0.21 0.00 0.00 178.00 179.40 1bga h ILE 254 N 0.69 1.20 0.00 4.15 2.04 -1.50 -1.89 117.51 122.21 1bga h ILE 254 Ca 0.19 -0.54 -0.37 0.00 1.00 0.00 0.00 64.86 65.13 1bga h ILE 254 Cb -0.05 0.51 -0.07 0.00 -0.74 0.00 0.00 36.82 36.46 1bga h ILE 254 CO -0.04 0.22 -2.37 -1.22 0.00 0.00 0.00 178.15 174.75 1bga n TYR 255 N -4.56 0.06 -0.01 1.37 4.01 0.46 -4.34 117.16 114.13 1bga n TYR 255 Ca 0.03 0.02 0.01 0.00 -0.16 0.00 0.00 57.90 57.80 1bga n TYR 255 Cb 0.11 -1.01 0.01 0.00 -0.31 0.00 0.00 39.34 38.14 1bga n TYR 255 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1bga n GLN 256 N -2.85 2.78 -1.34 -0.72 6.02 0.34 -5.01 117.38 116.61 1bga n GLN 256 Ca -0.34 -1.50 -0.12 0.00 -0.01 0.00 0.00 57.00 55.03 1bga n GLN 256 Cb 1.13 -1.03 -0.05 0.00 1.02 0.00 0.00 30.24 31.31 1bga n GLN 256 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bga n GLY 257 N -0.37 1.24 3.37 1.08 0.00 -0.65 -4.91 105.19 104.95 1bga n GLY 257 Ca 0.01 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 1bga n GLY 257 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bga s SER 258 N -2.71 -0.27 0.22 1.61 1.04 -1.17 -4.89 113.70 107.53 1bga s SER 258 Ca 0.00 -0.33 -0.10 0.00 0.48 0.00 0.00 55.95 56.00 1bga s SER 258 Cb 0.00 0.51 -0.07 0.00 0.10 0.00 0.00 66.02 66.56 1bga s SER 258 CO 0.00 -0.91 0.55 -0.31 0.98 0.00 0.00 173.24 173.56 1bga s TYR 259 N -3.82 3.44 -0.23 5.02 2.02 -1.26 -1.15 117.35 121.37 1bga s TYR 259 Ca 0.04 0.90 -0.30 0.00 -0.37 0.00 0.00 57.07 57.35 1bga s TYR 259 Cb 0.01 -2.28 -0.07 0.00 -0.40 0.00 0.00 41.96 39.23 1bga s TYR 259 CO -0.10 0.28 2.20 -2.30 -1.57 0.00 0.00 175.55 174.06 1bga n PRO 260 N -0.05 1.83 -0.26 -1.71 -0.02 -1.26 -4.85 135.00 128.67 1bga n PRO 260 Ca 0.00 0.51 0.05 0.00 -2.02 0.00 0.00 63.50 62.04 1bga n PRO 260 Cb 0.52 -3.07 0.19 0.00 -0.02 0.00 0.00 33.50 31.12 1bga n PRO 260 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1bga h GLN 261 N 14.30 0.48 -0.25 -0.52 5.75 -1.98 0.67 115.11 133.56 1bga h GLN 261 Ca -0.39 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.08 1bga h GLN 261 Cb 1.26 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.68 1bga h GLN 261 CO 0.97 0.32 0.16 0.27 -2.65 0.00 0.00 178.83 177.90 1bga h PHE 262 N 0.50 0.32 0.09 3.99 -0.00 -1.99 0.39 116.94 120.24 1bga h PHE 262 Ca 0.41 0.01 -0.25 0.00 -0.00 0.00 0.00 57.97 58.14 1bga h PHE 262 Cb 0.60 -0.11 -0.01 0.00 -0.00 0.00 0.00 35.95 36.43 1bga h PHE 262 CO -0.14 0.21 -1.16 -0.07 -0.00 0.00 0.00 178.31 177.15 1bga h LEU 263 N 0.35 0.30 -0.35 2.10 3.38 -1.46 -0.59 115.31 119.03 1bga h LEU 263 Ca 0.09 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1bga h LEU 263 Cb -0.03 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1bga h LEU 263 CO -0.02 1.25 0.16 0.58 0.09 0.00 0.00 178.44 180.50 1bga h VAL 264 N 0.06 1.17 -0.43 1.22 2.07 0.57 -0.54 116.25 120.36 1bga h VAL 264 Ca -0.10 -0.50 -0.09 0.00 0.82 0.00 0.00 66.70 66.83 1bga h VAL 264 Cb 1.90 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 1bga h VAL 264 CO 0.18 0.18 -0.11 0.44 0.02 0.00 0.00 177.57 178.29 1bga h ASP 265 N 0.43 0.76 0.17 0.57 3.32 -0.27 -0.24 116.42 121.16 1bga h ASP 265 Ca 0.12 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 1bga h ASP 265 Cb 0.14 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1bga h ASP 265 CO -0.01 0.89 -0.09 -0.25 -1.72 0.00 0.00 179.24 178.06 1bga h TRP 266 N 0.70 -0.22 -0.19 4.55 2.91 -0.69 -1.90 115.95 121.11 1bga h TRP 266 Ca 0.12 -0.00 -0.10 0.00 1.13 0.00 0.00 58.89 60.04 1bga h TRP 266 Cb 0.58 0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.30 1bga h TRP 266 CO 0.03 -0.14 -0.32 0.74 -1.03 0.00 0.00 178.44 177.73 1bga h PHE 267 N -0.23 0.43 -0.98 2.65 0.04 -0.97 -2.60 116.94 115.27 1bga h PHE 267 Ca -0.02 -0.10 0.03 0.00 2.80 0.00 0.00 57.97 60.68 1bga h PHE 267 Cb 0.18 -0.10 -0.06 0.00 2.20 0.00 0.00 35.95 38.18 1bga h PHE 267 CO -0.07 0.66 0.65 0.00 -0.60 0.00 0.00 178.31 178.94 1bga h ALA 268 N 1.34 1.35 0.00 2.45 0.00 -0.77 0.96 119.26 124.60 1bga h ALA 268 Ca 0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1bga h ALA 268 Cb 0.72 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1bga h ALA 268 CO 0.06 0.55 -0.08 0.93 0.00 0.00 0.00 179.25 180.71 1bga h GLU 269 N 1.25 0.00 -0.49 0.00 4.39 -0.95 0.86 114.58 119.65 1bga h GLU 269 Ca 0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.09 1bga h GLU 269 Cb -0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1bga h GLU 269 CO -0.12 0.08 0.00 1.04 -1.16 0.00 0.00 179.01 178.85 1bga n GLN 270 N -3.61 2.28 -0.91 2.33 6.02 0.22 -4.94 117.38 118.77 1bga n GLN 270 Ca -0.02 -1.97 0.00 0.00 -0.01 0.00 0.00 57.00 55.00 1bga n GLN 270 Cb 0.20 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.01 1bga n GLN 270 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bga n GLY 271 N 1.39 0.53 3.62 1.08 0.00 0.30 -5.04 105.19 107.07 1bga n GLY 271 Ca 0.19 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1bga n GLY 271 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bga s ALA 272 N -2.00 3.08 0.01 4.61 0.00 -0.52 -4.98 121.76 121.96 1bga s ALA 272 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1bga s ALA 272 Cb 0.00 -1.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 1bga s ALA 272 CO 0.00 0.64 -0.03 0.95 0.00 0.00 0.00 175.76 177.33 1bga s THR 273 N -1.12 0.13 0.00 0.00 -4.23 -1.26 -2.94 115.64 106.22 1bga s THR 273 Ca 0.20 -0.59 -0.30 0.00 -1.18 0.00 0.00 61.69 59.82 1bga s THR 273 Cb -0.11 -0.21 -0.05 0.00 1.34 0.00 0.00 72.50 73.47 1bga s THR 273 CO 0.11 -0.30 1.27 -0.69 -0.54 0.00 0.00 174.62 174.48 1bga s VAL 274 N -0.91 3.98 -1.12 2.29 1.01 -1.26 -4.89 120.40 119.50 1bga s VAL 274 Ca -0.09 1.37 -0.14 0.00 0.00 0.00 0.00 61.98 63.12 1bga s VAL 274 Cb -0.06 -3.88 -0.07 0.00 0.00 0.00 0.00 36.38 32.37 1bga s VAL 274 CO -0.01 0.03 2.23 -0.81 0.00 0.00 0.00 175.10 176.54 1bga n PRO 275 N 4.83 2.36 -2.92 2.72 -0.04 -1.26 -4.93 135.00 135.75 1bga n PRO 275 Ca 0.11 -1.97 -0.41 0.00 -0.04 0.00 0.00 63.50 61.18 1bga n PRO 275 Cb 0.45 -2.85 -0.04 0.00 -0.04 0.00 0.00 33.50 31.01 1bga n PRO 275 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1bga s ILE 276 N 3.65 4.87 0.29 0.52 1.01 -1.26 -5.02 121.20 125.26 1bga s ILE 276 Ca 0.52 1.53 0.03 0.00 0.00 0.00 0.00 60.65 62.73 1bga s ILE 276 Cb 0.14 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 1bga s ILE 276 CO -0.00 -0.03 0.44 -1.10 0.00 0.00 0.00 174.94 174.25 1bga s GLN 277 N 2.60 3.45 0.42 2.79 -0.21 -1.26 -5.03 119.66 122.43 1bga s GLN 277 Ca 0.35 -0.58 -0.27 0.00 0.02 0.00 0.00 55.36 54.88 1bga s GLN 277 Cb -0.16 -2.79 -0.10 0.00 1.00 0.00 0.00 33.01 30.97 1bga s GLN 277 CO 0.09 0.30 1.47 -0.51 -2.12 0.00 0.00 175.29 174.52 1bga s ASP 278 N -4.01 6.06 0.00 5.90 1.11 -1.26 -1.71 116.67 122.76 1bga s ASP 278 Ca 0.37 3.01 0.00 0.00 0.18 0.00 0.00 52.55 56.11 1bga s ASP 278 Cb -0.09 -2.66 0.00 0.00 1.07 0.00 0.00 42.92 41.23 1bga s ASP 278 CO 0.32 -1.06 0.00 0.61 1.18 0.00 0.00 175.17 176.22 1bga n GLY 279 N 0.50 3.11 0.44 0.21 0.00 -1.26 -4.92 105.19 103.27 1bga n GLY 279 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 1bga n GLY 279 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1bga h ASP 280 N 0.00 -1.23 -0.79 1.61 3.32 -1.73 -1.80 116.42 115.80 1bga h ASP 280 Ca 0.00 0.10 0.17 0.00 0.02 0.00 0.00 57.03 57.32 1bga h ASP 280 Cb 0.00 0.41 -0.05 0.00 0.22 0.00 0.00 39.33 39.91 1bga h ASP 280 CO 0.00 -0.59 0.53 0.24 -1.72 0.00 0.00 179.24 177.70 1bga h MET 281 N -0.89 0.35 -0.33 3.56 2.86 -1.92 0.11 114.93 118.67 1bga h MET 281 Ca -0.05 -0.02 -0.13 0.00 -2.06 0.00 0.00 59.70 57.43 1bga h MET 281 Cb 0.77 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 1bga h MET 281 CO -0.06 0.23 -0.33 -0.44 1.06 0.00 0.00 176.91 177.37 1bga h ASP 282 N 0.36 0.78 -0.21 1.22 3.32 -1.85 -1.56 116.42 118.47 1bga h ASP 282 Ca 0.39 -0.32 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 1bga h ASP 282 Cb 1.00 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 1bga h ASP 282 CO -0.12 1.04 -0.05 0.40 -1.72 0.00 0.00 179.24 178.80 1bga h ILE 283 N 0.62 1.28 -0.30 0.35 2.04 -0.00 -3.08 117.51 118.42 1bga h ILE 283 Ca 0.07 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.90 1bga h ILE 283 Cb 0.86 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 1bga h ILE 283 CO 0.08 0.31 0.19 0.40 0.00 0.00 0.00 178.15 179.13 1bga h ILE 284 N 0.13 1.08 0.00 -0.67 2.04 -0.83 -2.54 117.51 116.71 1bga h ILE 284 Ca 0.05 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1bga h ILE 284 Cb 0.49 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1bga h ILE 284 CO 0.02 0.08 0.00 0.61 0.00 0.00 0.00 178.15 178.86 1bga n GLY 285 N -1.48 -0.28 3.68 5.37 0.00 -0.60 -4.42 105.19 107.46 1bga n GLY 285 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.58 1bga n GLY 285 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1bga n GLU 286 N -0.34 2.38 -1.64 1.61 4.07 -0.96 -4.86 120.64 120.89 1bga n GLU 286 Ca 0.00 0.87 -0.50 0.00 -0.06 0.00 0.00 57.16 57.47 1bga n GLU 286 Cb 0.05 -2.71 -0.05 0.00 -0.06 0.00 0.00 31.44 28.67 1bga n GLU 286 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1bga n PRO 287 N 5.65 1.68 -4.26 5.31 -0.02 -1.26 -4.99 135.00 137.10 1bga n PRO 287 Ca 0.20 0.61 -0.28 0.00 -2.02 0.00 0.00 63.50 62.00 1bga n PRO 287 Cb 0.32 -2.33 -0.10 0.00 -0.02 0.00 0.00 33.50 31.38 1bga n PRO 287 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1bga s ILE 288 N 1.28 3.27 0.13 4.25 -4.36 -1.26 -5.02 121.20 119.50 1bga s ILE 288 Ca 0.84 -1.46 0.13 0.00 -0.26 0.00 0.00 60.65 59.91 1bga s ILE 288 Cb -0.82 -2.57 0.00 0.00 1.25 0.00 0.00 42.46 40.32 1bga s ILE 288 CO 0.45 0.01 1.55 0.44 0.24 0.00 0.00 174.94 177.63 1bga h ASP 289 N 3.28 0.00 -5.68 4.36 3.32 -1.41 -3.48 116.42 116.80 1bga h ASP 289 Ca -0.48 0.00 0.28 0.00 0.02 0.00 0.00 57.03 56.85 1bga h ASP 289 Cb 1.18 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.66 1bga h ASP 289 CO 0.53 0.60 0.78 0.00 -1.72 0.00 0.00 179.24 179.43 1bga s MET 290 N -3.31 0.66 0.14 3.56 0.23 -1.23 -4.54 119.30 114.82 1bga s MET 290 Ca 0.01 -0.41 0.05 0.00 -1.03 0.00 0.00 55.69 54.31 1bga s MET 290 Cb 0.11 0.20 -0.04 0.00 -1.53 0.00 0.00 34.83 33.56 1bga s MET 290 CO 0.75 -0.31 -0.12 0.96 -2.03 0.00 0.00 175.02 174.27 1bga s ILE 291 N -2.27 1.29 0.01 3.16 -4.36 -0.75 -3.67 121.20 114.61 1bga s ILE 291 Ca 0.22 -1.95 0.02 0.00 -0.26 0.00 0.00 60.65 58.67 1bga s ILE 291 Cb 0.01 -1.75 -0.04 0.00 1.25 0.00 0.00 42.46 41.93 1bga s ILE 291 CO -0.00 -0.61 0.02 -0.83 0.24 0.00 0.00 174.94 173.76 1bga s GLY 292 N -2.92 1.91 -0.11 6.27 0.00 0.61 -1.40 107.32 111.68 1bga s GLY 292 Ca 0.14 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 43.93 1bga s GLY 292 CO 0.02 -0.84 -0.18 -0.42 0.00 0.00 0.00 173.10 171.68 1bga s ILE 293 N -1.15 1.67 -0.29 0.90 -1.09 0.11 -2.74 121.20 118.62 1bga s ILE 293 Ca 0.21 -0.76 -0.05 0.00 -2.23 0.00 0.00 60.65 57.82 1bga s ILE 293 Cb -0.12 -1.49 0.02 0.00 -1.58 0.00 0.00 42.46 39.29 1bga s ILE 293 CO 0.12 0.47 0.04 0.20 -1.23 0.00 0.00 174.94 174.55 1bga s ASN 294 N 0.77 4.93 -0.01 3.58 0.01 -1.01 -0.83 114.94 122.37 1bga s ASN 294 Ca -0.11 -0.78 0.05 0.00 -0.71 0.00 0.00 52.86 51.31 1bga s ASN 294 Cb -0.16 -1.82 -0.01 0.00 0.41 0.00 0.00 41.25 39.67 1bga s ASN 294 CO 0.01 -0.18 -0.15 -0.47 -1.51 0.00 0.00 177.10 174.80 1bga s TYR 295 N 1.45 1.36 0.00 2.20 6.14 -0.34 -1.05 117.35 127.11 1bga s TYR 295 Ca 0.02 -0.26 0.00 0.00 0.64 0.00 0.00 57.07 57.46 1bga s TYR 295 Cb -0.17 -0.88 0.00 0.00 0.42 0.00 0.00 41.96 41.33 1bga s TYR 295 CO 0.01 -0.03 0.00 0.66 0.64 0.00 0.00 175.55 176.83 1bga n TYR 296 N 2.73 0.00 -4.02 4.97 4.01 -1.26 -4.15 117.16 119.45 1bga n TYR 296 Ca -0.15 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.49 1bga n TYR 296 Cb 0.55 0.13 -0.03 0.00 -0.31 0.00 0.00 39.34 39.67 1bga n TYR 296 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1bga n SER 297 N -2.12 -0.61 -3.75 7.72 2.88 -1.26 -4.81 113.62 111.68 1bga n SER 297 Ca 0.00 -2.21 -0.12 0.00 -1.33 0.00 0.00 58.87 55.21 1bga n SER 297 Cb 0.15 1.25 -0.07 0.00 -0.75 0.00 0.00 64.21 64.78 1bga n SER 297 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1bga s MET 298 N -2.64 0.81 0.13 -1.46 1.75 -1.26 -4.45 119.30 112.17 1bga s MET 298 Ca 0.21 -0.45 -0.01 0.00 -1.25 0.00 0.00 55.69 54.18 1bga s MET 298 Cb 0.00 0.35 -0.04 0.00 2.84 0.00 0.00 34.83 37.98 1bga s MET 298 CO 0.15 -0.26 0.07 -1.54 -0.65 0.00 0.00 175.02 172.79 1bga s SER 299 N -1.97 0.29 -0.25 1.11 1.04 -0.46 -4.85 113.70 108.61 1bga s SER 299 Ca -0.06 -1.20 -0.02 0.00 0.48 0.00 0.00 55.95 55.14 1bga s SER 299 Cb -0.01 0.30 0.02 0.00 0.10 0.00 0.00 66.02 66.43 1bga s SER 299 CO -0.02 -0.74 -0.05 -0.69 0.98 0.00 0.00 173.24 172.72 1bga s VAL 300 N -4.05 3.02 0.28 5.02 1.01 -1.26 -0.84 120.40 123.58 1bga s VAL 300 Ca 0.24 -0.92 0.10 0.00 0.00 0.00 0.00 61.98 61.41 1bga s VAL 300 Cb 0.07 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 1bga s VAL 300 CO 0.02 0.22 -0.07 0.20 0.00 0.00 0.00 175.10 175.47 1bga s ASN 301 N 1.36 4.15 0.04 3.32 -0.87 0.06 -0.09 114.94 122.91 1bga s ASN 301 Ca 0.01 -0.83 -0.00 0.00 -1.57 0.00 0.00 52.86 50.47 1bga s ASN 301 Cb -0.16 -0.61 -0.03 0.00 -0.02 0.00 0.00 41.25 40.43 1bga s ASN 301 CO -0.04 -0.02 -0.04 0.00 -2.57 0.00 0.00 177.10 174.44 1bga s ARG 302 N -3.62 0.49 0.17 -0.60 1.70 0.53 -1.11 118.95 116.51 1bga s ARG 302 Ca 0.31 -0.93 -0.30 0.00 -0.47 0.00 0.00 55.73 54.34 1bga s ARG 302 Cb -0.05 0.10 -0.08 0.00 -0.57 0.00 0.00 34.95 34.34 1bga s ARG 302 CO 0.18 -0.06 1.33 0.12 -1.08 0.00 0.00 175.30 175.79 1bga s PHE 303 N -2.63 3.25 -0.24 5.89 5.36 -1.26 -0.18 117.98 128.18 1bga s PHE 303 Ca -0.04 1.14 -0.04 0.00 -0.96 0.00 0.00 56.93 57.04 1bga s PHE 303 Cb -0.01 -3.62 0.13 0.00 -0.34 0.00 0.00 43.02 39.17 1bga s PHE 303 CO -0.05 -2.02 0.40 1.21 -1.46 0.00 0.00 175.22 173.31 1bga s ASN 304 N 0.58 -0.01 0.64 6.13 3.84 -0.67 -4.81 114.94 120.64 1bga s ASN 304 Ca 0.59 0.48 0.34 0.00 0.21 0.00 0.00 52.86 54.49 1bga s ASN 304 Cb -0.36 1.26 1.90 0.00 -0.55 0.00 0.00 41.25 43.50 1bga s ASN 304 CO 0.36 -0.28 2.12 1.55 -2.79 0.00 0.00 177.10 178.06 1bga h PRO 305 N 8.17 0.00 -0.00 0.43 0.13 -1.95 0.45 132.00 139.23 1bga h PRO 305 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1bga h PRO 305 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1bga h PRO 305 CO 0.23 0.00 -0.64 0.39 -0.23 0.00 0.00 178.00 177.76 1bga n GLU 306 N -3.24 0.29 -1.36 0.86 -0.58 -1.26 -4.71 120.64 110.63 1bga n GLU 306 Ca -0.01 -0.21 -0.39 0.00 -0.42 0.00 0.00 57.16 56.14 1bga n GLU 306 Cb 0.27 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.62 1bga n GLU 306 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1bga n ALA 307 N -1.18 6.93 -0.48 0.62 0.00 0.15 -4.94 120.51 121.61 1bga n ALA 307 Ca 0.06 -3.51 0.05 0.00 0.00 0.00 0.00 53.44 50.05 1bga n ALA 307 Cb 0.35 -3.39 -0.01 0.00 0.00 0.00 0.00 19.45 16.40 1bga n ALA 307 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bga n GLY 308 N 3.71 -1.99 0.09 0.00 0.00 -1.26 -2.24 105.19 103.50 1bga n GLY 308 Ca 0.71 -1.36 0.09 0.00 0.00 0.00 0.00 46.02 45.46 1bga n GLY 308 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1bga n PHE 309 N -1.73 0.50 0.71 1.61 -1.74 -1.26 -1.39 117.46 114.15 1bga n PHE 309 Ca 0.00 0.22 0.08 0.00 -0.56 0.00 0.00 57.45 57.19 1bga n PHE 309 Cb 0.17 -0.86 0.02 0.00 1.52 0.00 0.00 39.48 40.33 1bga n PHE 309 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1bga n LEU 310 N -1.98 1.83 -4.15 5.98 4.32 -1.26 -4.99 117.00 116.75 1bga n LEU 310 Ca 0.01 -0.83 -0.31 0.00 -0.02 0.00 0.00 56.01 54.86 1bga n LEU 310 Cb 0.13 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.88 1bga n LEU 310 CO 0.12 0.34 -0.22 0.00 -1.22 0.00 0.00 177.39 176.42 1bga n GLN 311 N 0.17 -2.58 -3.89 3.23 6.02 -0.49 -4.91 117.38 114.94 1bga n GLN 311 Ca 0.07 0.31 -0.30 0.00 -0.01 0.00 0.00 57.00 57.08 1bga n GLN 311 Cb 0.36 -4.51 -0.16 0.00 1.02 0.00 0.00 30.24 26.95 1bga n GLN 311 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1bga s SER 312 N -3.97 3.75 -0.04 1.08 0.15 -1.09 -1.66 113.70 111.90 1bga s SER 312 Ca 0.28 -1.21 -0.18 0.00 0.70 0.00 0.00 55.95 55.54 1bga s SER 312 Cb -0.16 -1.06 -0.05 0.00 -1.71 0.00 0.00 66.02 63.04 1bga s SER 312 CO 0.93 -0.27 0.51 -0.70 1.20 0.00 0.00 173.24 174.90 1bga s GLU 313 N 1.48 4.23 -0.18 5.44 2.12 0.74 -4.87 118.70 127.66 1bga s GLU 313 Ca -0.02 0.55 -0.16 0.00 0.36 0.00 0.00 54.97 55.69 1bga s GLU 313 Cb -0.18 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 1bga s GLU 313 CO -0.08 0.38 0.41 -2.00 -0.54 0.00 0.00 175.26 173.42 1bga s GLU 314 N -0.13 4.22 -0.00 4.30 2.12 -1.26 -0.35 118.70 127.60 1bga s GLU 314 Ca 0.27 0.25 -0.20 0.00 0.36 0.00 0.00 54.97 55.65 1bga s GLU 314 Cb -0.17 -3.51 -0.05 0.00 0.26 0.00 0.00 34.13 30.66 1bga s GLU 314 CO 0.14 0.02 0.59 0.42 -0.54 0.00 0.00 175.26 175.89 1bga s ILE 315 N 1.10 4.91 -0.69 -3.70 -1.09 0.86 -4.99 121.20 117.61 1bga s ILE 315 Ca 0.20 1.23 -0.24 0.00 -2.23 0.00 0.00 60.65 59.61 1bga s ILE 315 Cb -0.15 -3.92 0.06 0.00 -1.58 0.00 0.00 42.46 36.87 1bga s ILE 315 CO 0.08 0.42 1.08 0.21 -1.23 0.00 0.00 174.94 175.51 1bga s ASN 316 N -0.22 6.17 0.00 3.58 3.04 -1.26 -4.53 114.94 121.71 1bga s ASN 316 Ca 0.31 -0.79 0.23 0.00 0.04 0.00 0.00 52.86 52.65 1bga s ASN 316 Cb -0.18 -2.47 1.40 0.00 -1.54 0.00 0.00 41.25 38.45 1bga s ASN 316 CO 0.17 -1.59 1.84 0.23 -3.04 0.00 0.00 177.10 174.71 1bga n MET 317 N 8.34 0.90 -0.67 0.43 2.81 -1.26 -4.88 117.12 122.79 1bga n MET 317 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1bga n MET 317 Cb 0.47 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.57 1bga n MET 317 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1bga n GLY 318 N 0.72 0.93 3.76 3.03 0.00 -1.26 -5.03 105.19 107.35 1bga n GLY 318 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1bga n GLY 318 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bga s LEU 319 N 0.00 3.79 0.49 0.99 1.43 -1.26 -4.97 118.68 119.14 1bga s LEU 319 Ca 0.00 2.41 -0.23 0.00 -1.03 0.00 0.00 54.13 55.29 1bga s LEU 319 Cb 0.00 -4.46 -0.06 0.00 0.03 0.00 0.00 46.19 41.70 1bga s LEU 319 CO 0.00 -1.39 1.28 -2.84 0.23 0.00 0.00 176.35 173.62 1bga s PRO 320 N -3.10 3.51 0.35 1.29 0.02 -1.26 -4.86 135.00 130.94 1bga s PRO 320 Ca 0.73 2.05 0.08 0.00 0.02 0.00 0.00 61.00 63.88 1bga s PRO 320 Cb -0.31 -2.39 -0.07 0.00 0.02 0.00 0.00 34.50 31.75 1bga s PRO 320 CO 0.35 -0.84 -0.06 0.14 -0.33 0.00 0.00 177.00 176.27 1bga s VAL 321 N -1.39 2.06 0.92 3.83 -7.23 -1.26 -2.61 120.40 114.71 1bga s VAL 321 Ca 0.66 -2.14 -0.15 0.00 -1.81 0.00 0.00 61.98 58.55 1bga s VAL 321 Cb -0.35 -2.71 0.17 0.00 0.56 0.00 0.00 36.38 34.04 1bga s VAL 321 CO 0.43 -0.16 1.28 0.42 -0.31 0.00 0.00 175.10 176.76 1bga s THR 322 N -2.72 2.01 -0.69 5.32 -4.23 0.71 -4.87 115.64 111.17 1bga s THR 322 Ca 0.33 -0.02 0.16 0.00 -1.18 0.00 0.00 61.69 60.98 1bga s THR 322 Cb 0.05 -2.99 0.15 0.00 1.34 0.00 0.00 72.50 71.05 1bga s THR 322 CO 0.16 0.00 1.49 0.47 -0.54 0.00 0.00 174.62 176.20 1bga n ASP 323 N -3.63 0.31 -0.64 3.99 8.00 0.70 -0.75 116.55 124.54 1bga n ASP 323 Ca 0.13 0.60 0.12 0.00 0.71 0.00 0.00 54.79 56.35 1bga n ASP 323 Cb 0.60 -0.66 0.13 0.00 -0.02 0.00 0.00 41.12 41.17 1bga n ASP 323 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bga n ILE 324 N -1.87 0.00 -0.17 0.53 3.06 -1.26 -4.97 119.36 114.68 1bga n ILE 324 Ca 0.01 -0.33 0.00 0.00 -2.50 0.00 0.00 62.75 59.93 1bga n ILE 324 Cb 0.13 1.18 0.00 0.00 0.54 0.00 0.00 39.64 41.49 1bga n ILE 324 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1bga n GLY 325 N 1.36 0.91 3.73 4.50 0.00 0.07 -5.08 105.19 110.68 1bga n GLY 325 Ca 0.12 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1bga n GLY 325 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1bga s TRP 326 N -2.00 3.48 0.42 1.61 0.51 -1.26 -4.72 118.94 116.99 1bga s TRP 326 Ca 0.00 0.71 -0.24 0.00 -2.12 0.00 0.00 56.10 54.45 1bga s TRP 326 Cb 0.00 -2.43 -0.08 0.00 -0.81 0.00 0.00 33.47 30.15 1bga s TRP 326 CO 0.00 0.21 1.15 -1.25 -0.51 0.00 0.00 176.95 176.55 1bga s PRO 327 N 0.53 3.95 -0.24 4.98 0.04 -1.26 -0.21 135.00 142.79 1bga s PRO 327 Ca 0.20 1.76 -0.10 0.00 0.04 0.00 0.00 61.00 62.90 1bga s PRO 327 Cb -0.14 -2.54 -0.05 0.00 0.04 0.00 0.00 34.50 31.81 1bga s PRO 327 CO 0.06 -0.39 0.16 0.14 0.04 0.00 0.00 177.00 177.01 1bga s VAL 328 N -1.51 5.34 -0.35 -0.36 -7.23 -1.07 -4.53 120.40 110.69 1bga s VAL 328 Ca 0.60 0.17 0.05 0.00 -1.81 0.00 0.00 61.98 60.99 1bga s VAL 328 Cb -0.28 -3.49 0.17 0.00 0.56 0.00 0.00 36.38 33.34 1bga s VAL 328 CO 0.35 0.35 0.50 -0.70 -0.31 0.00 0.00 175.10 175.29 1bga s GLU 329 N 1.04 0.63 0.51 4.82 2.12 -1.26 -4.88 118.70 121.68 1bga s GLU 329 Ca 0.07 -0.18 0.28 0.00 0.36 0.00 0.00 54.97 55.50 1bga s GLU 329 Cb -0.13 -0.19 1.36 0.00 0.26 0.00 0.00 34.13 35.43 1bga s GLU 329 CO 0.04 -1.13 2.02 0.66 -0.54 0.00 0.00 175.26 176.31 1bga h SER 330 N 7.48 0.00 -1.01 -1.70 4.64 -1.94 -3.16 113.55 117.86 1bga h SER 330 Ca 0.00 0.00 0.26 0.00 -0.47 0.00 0.00 61.79 61.59 1bga h SER 330 Cb 1.13 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.16 1bga h SER 330 CO 0.18 0.13 0.68 0.08 -0.87 0.00 0.00 176.83 177.03 1bga h ARG 331 N 0.00 0.25 -1.00 4.77 0.11 -1.97 -0.29 114.38 116.25 1bga h ARG 331 Ca -0.00 -0.02 0.23 0.00 0.10 0.00 0.00 59.98 60.30 1bga h ARG 331 Cb 0.44 -0.06 -0.09 0.00 1.11 0.00 0.00 29.97 31.37 1bga h ARG 331 CO 0.02 0.17 0.64 0.78 0.10 0.00 0.00 179.97 181.67 1bga h GLY 332 N 0.26 1.32 0.98 0.08 0.00 -1.92 0.31 103.07 104.08 1bga h GLY 332 Ca 0.53 -0.24 -0.08 0.00 0.00 0.00 0.00 47.33 47.54 1bga h GLY 332 CO -0.17 -0.10 -0.02 -2.00 0.00 0.00 0.00 176.54 174.25 1bga h LEU 333 N 0.49 0.77 -0.15 3.11 6.46 -1.30 -0.39 115.31 124.30 1bga h LEU 333 Ca 0.57 -0.32 -0.00 0.00 -0.12 0.00 0.00 57.88 58.00 1bga h LEU 333 Cb 1.28 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 41.00 1bga h LEU 333 CO -0.30 0.90 0.08 0.22 -0.62 0.00 0.00 178.44 178.72 1bga h TYR 334 N 0.61 0.21 0.03 1.25 3.20 -0.56 -1.95 116.97 119.76 1bga h TYR 334 Ca 0.12 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 1bga h TYR 334 Cb 0.53 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.73 1bga h TYR 334 CO 0.04 0.23 -0.02 0.93 -1.64 0.00 0.00 178.16 177.71 1bga h GLU 335 N 0.12 -0.05 -0.66 1.82 4.39 -0.83 -2.56 114.58 116.81 1bga h GLU 335 Ca 0.05 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.67 1bga h GLU 335 Cb 0.10 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 1bga h GLU 335 CO -0.01 -0.03 0.10 -0.24 -1.16 0.00 0.00 179.01 177.67 1bga h VAL 336 N -0.05 1.26 -0.60 3.13 3.04 -1.05 -0.87 116.25 121.10 1bga h VAL 336 Ca -0.00 -1.04 -0.03 0.00 -1.01 0.00 0.00 66.70 64.62 1bga h VAL 336 Cb 0.04 0.64 -0.03 0.00 -2.01 0.00 0.00 31.29 29.94 1bga h VAL 336 CO 0.00 0.39 0.27 -0.07 -1.01 0.00 0.00 177.57 177.15 1bga h LEU 337 N 1.03 0.78 -0.28 3.16 3.38 -1.27 0.42 115.31 122.52 1bga h LEU 337 Ca 0.20 -0.09 -0.19 0.00 0.09 0.00 0.00 57.88 57.89 1bga h LEU 337 Cb 0.45 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1bga h LEU 337 CO 0.01 0.68 -0.62 0.45 0.09 0.00 0.00 178.44 179.05 1bga h HIS 338 N 0.86 1.04 -0.63 1.13 3.86 -1.17 -3.15 115.15 117.09 1bga h HIS 338 Ca 0.21 -0.40 0.02 0.00 -1.16 0.00 0.00 60.37 59.05 1bga h HIS 338 Cb 0.12 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.37 1bga h HIS 338 CO 0.01 1.22 0.40 -0.92 0.86 0.00 0.00 177.93 179.49 1bga h TYR 339 N 0.60 0.74 0.00 2.45 3.20 -0.50 -1.69 116.97 121.77 1bga h TYR 339 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1bga h TYR 339 Cb 1.23 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.26 1bga h TYR 339 CO 0.07 0.43 0.00 1.28 -1.64 0.00 0.00 178.16 178.30 1bga n LEU 340 N -4.70 0.00 0.00 2.82 4.77 0.08 -2.04 117.00 117.93 1bga n LEU 340 Ca 0.06 0.47 0.06 0.00 -0.03 0.00 0.00 56.01 56.57 1bga n LEU 340 Cb 0.07 -0.47 0.30 0.00 -2.33 0.00 0.00 43.42 41.00 1bga n LEU 340 CO 0.33 -0.36 0.63 0.00 -1.33 0.00 0.00 177.39 176.66 1bga n GLN 341 N -1.47 0.20 0.19 3.23 1.13 -0.64 -1.87 117.38 118.15 1bga n GLN 341 Ca 0.02 0.15 0.14 0.00 -1.94 0.00 0.00 57.00 55.37 1bga n GLN 341 Cb 0.07 -1.50 0.64 0.00 0.11 0.00 0.00 30.24 29.57 1bga n GLN 341 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 1bga h LYS 342 N 0.00 0.00 -0.57 -1.09 2.10 -1.62 -0.26 116.57 115.14 1bga h LYS 342 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1bga h LYS 342 Cb 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1bga h LYS 342 CO 0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 1bga n TYR 343 N -2.51 0.75 0.00 0.07 4.01 -0.78 -5.07 117.16 113.63 1bga n TYR 343 Ca 0.00 -0.44 0.00 0.00 -0.16 0.00 0.00 57.90 57.30 1bga n TYR 343 Cb 0.17 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 1bga n TYR 343 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bga n GLY 344 N 1.33 1.59 2.61 2.72 0.00 -0.11 -4.65 105.19 108.68 1bga n GLY 344 Ca 0.20 -1.96 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 1bga n GLY 344 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bga n ASN 345 N -0.02 5.49 -4.80 1.61 2.85 -1.26 -4.47 115.26 114.65 1bga n ASN 345 Ca 0.00 -2.79 -0.31 0.00 -0.11 0.00 0.00 54.58 51.37 1bga n ASN 345 Cb 0.00 -1.61 0.06 0.00 1.24 0.00 0.00 39.78 39.47 1bga n ASN 345 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1bga s ILE 346 N 2.58 3.81 0.03 -1.44 -4.36 -1.26 -4.71 121.20 115.85 1bga s ILE 346 Ca 0.53 0.61 -0.30 0.00 -0.26 0.00 0.00 60.65 61.23 1bga s ILE 346 Cb 0.15 -3.27 -0.06 0.00 1.25 0.00 0.00 42.46 40.54 1bga s ILE 346 CO -0.07 -0.75 1.30 -1.81 0.24 0.00 0.00 174.94 173.85 1bga s ASP 347 N -3.59 6.95 -0.02 4.36 1.11 -1.26 -4.36 116.67 119.85 1bga s ASP 347 Ca 0.59 2.07 0.04 0.00 0.18 0.00 0.00 52.55 55.44 1bga s ASP 347 Cb -0.15 -2.57 -0.01 0.00 1.07 0.00 0.00 42.92 41.26 1bga s ASP 347 CO 0.54 -0.60 -0.15 -0.63 1.18 0.00 0.00 175.17 175.51 1bga s ILE 348 N 1.69 1.18 -0.07 0.77 1.01 -0.29 -1.82 121.20 123.69 1bga s ILE 348 Ca 0.61 -0.61 0.05 0.00 0.00 0.00 0.00 60.65 60.70 1bga s ILE 348 Cb -0.31 -1.01 -0.01 0.00 0.01 0.00 0.00 42.46 41.15 1bga s ILE 348 CO 0.27 0.34 -0.24 -0.31 0.00 0.00 0.00 174.94 175.00 1bga s TYR 349 N -0.13 2.40 -0.79 3.97 1.51 -0.49 0.46 117.35 124.28 1bga s TYR 349 Ca 0.01 -0.77 -0.25 0.00 -1.01 0.00 0.00 57.07 55.05 1bga s TYR 349 Cb -0.08 -1.58 0.05 0.00 -0.11 0.00 0.00 41.96 40.23 1bga s TYR 349 CO 0.00 -0.26 1.25 0.42 -1.11 0.00 0.00 175.55 175.85 1bga s ILE 350 N -0.03 3.92 -0.09 2.71 -1.09 0.23 0.06 121.20 126.90 1bga s ILE 350 Ca -0.07 -0.05 0.27 0.00 -2.23 0.00 0.00 60.65 58.57 1bga s ILE 350 Cb -0.15 -4.90 0.32 0.00 -1.58 0.00 0.00 42.46 36.16 1bga s ILE 350 CO 0.05 -1.78 1.78 0.71 -1.23 0.00 0.00 174.94 174.47 1bga h THR 351 N 6.16 0.18 -2.55 2.92 1.35 -1.27 0.65 112.91 120.35 1bga h THR 351 Ca -0.17 -0.94 -0.10 0.00 -0.55 0.00 0.00 66.41 64.66 1bga h THR 351 Cb 1.04 1.80 -0.25 0.00 -1.73 0.00 0.00 68.15 69.01 1bga h THR 351 CO 1.28 0.08 -0.23 -1.61 -0.25 0.00 0.00 175.52 174.80 1bga s GLU 352 N -3.45 0.47 -0.30 4.72 2.02 -1.18 -4.55 118.70 116.43 1bga s GLU 352 Ca 0.03 0.82 -0.11 0.00 0.02 0.00 0.00 54.97 55.73 1bga s GLU 352 Cb 0.08 0.06 0.13 0.00 0.10 0.00 0.00 34.13 34.50 1bga s GLU 352 CO 0.62 -0.14 0.71 1.21 0.02 0.00 0.00 175.26 177.68 1bga s ASN 353 N 1.19 -1.05 0.06 -0.19 3.84 -1.19 -1.20 114.94 116.42 1bga s ASN 353 Ca -0.08 1.45 -0.09 0.00 0.21 0.00 0.00 52.86 54.35 1bga s ASN 353 Cb -0.07 2.15 0.03 0.00 -0.55 0.00 0.00 41.25 42.82 1bga s ASN 353 CO -0.11 -0.20 0.43 0.61 -2.79 0.00 0.00 177.10 175.04 1bga n GLY 354 N 5.31 0.93 3.16 1.21 0.00 -1.26 -0.49 105.19 114.05 1bga n GLY 354 Ca -0.12 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 1bga n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bga s ALA 355 N -1.42 -0.49 -0.57 4.61 0.00 -1.26 -4.87 121.76 117.75 1bga s ALA 355 Ca 0.10 0.02 -0.23 0.00 0.00 0.00 0.00 51.96 51.84 1bga s ALA 355 Cb -0.01 0.12 0.05 0.00 0.00 0.00 0.00 23.12 23.28 1bga s ALA 355 CO 0.02 -0.24 0.91 0.00 0.00 0.00 0.00 175.76 176.45 1bga s ILE 357 N 3.82 1.32 -1.50 0.00 -1.09 -0.79 -0.21 121.20 122.76 1bga s ILE 357 Ca 0.27 -1.07 0.00 0.00 -2.23 0.00 0.00 60.65 57.62 1bga s ILE 357 Cb -0.14 -1.63 0.00 0.00 -1.58 0.00 0.00 42.46 39.11 1bga s ILE 357 CO 0.16 -0.11 0.68 0.59 -1.23 0.00 0.00 174.94 175.03 1bga n ASN 358 N 4.75 0.46 -4.67 3.58 3.02 -1.26 -4.66 115.26 116.47 1bga n ASN 358 Ca -0.11 -1.82 -0.42 0.00 -0.03 0.00 0.00 54.58 52.20 1bga n ASN 358 Cb 0.45 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 1bga n ASN 358 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1bga n ASP 359 N -0.22 2.29 -4.77 6.41 8.00 -1.26 -4.98 116.55 122.01 1bga n ASP 359 Ca 0.00 1.14 -0.27 0.00 0.71 0.00 0.00 54.79 56.36 1bga n ASP 359 Cb 0.11 -1.45 -0.02 0.00 -0.02 0.00 0.00 41.12 39.75 1bga n ASP 359 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1bga n GLU 360 N 0.29 0.71 -2.42 -1.24 -0.58 -1.26 -4.94 120.64 111.20 1bga n GLU 360 Ca 0.07 -3.47 -0.43 0.00 -0.42 0.00 0.00 57.16 52.91 1bga n GLU 360 Cb 0.38 0.51 -0.02 0.00 -0.57 0.00 0.00 31.44 31.74 1bga n GLU 360 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1bga s VAL 361 N -2.73 4.27 -0.09 2.62 1.01 -1.26 -4.37 120.40 119.85 1bga s VAL 361 Ca 0.23 1.52 -0.00 0.00 0.00 0.00 0.00 61.98 63.73 1bga s VAL 361 Cb -0.02 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.37 1bga s VAL 361 CO 0.15 -0.17 -0.06 -0.69 0.00 0.00 0.00 175.10 174.33 1bga s VAL 362 N 3.59 0.82 -1.43 2.92 1.01 0.59 -4.78 120.40 123.12 1bga s VAL 362 Ca 0.55 -0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.25 1bga s VAL 362 Cb -0.21 -0.86 0.05 0.00 0.00 0.00 0.00 36.38 35.36 1bga s VAL 362 CO 0.15 0.32 1.00 0.59 0.00 0.00 0.00 175.10 177.16 1bga n ASN 363 N 4.77 -4.49 0.00 3.32 3.02 -1.26 -2.21 115.26 118.40 1bga n ASN 363 Ca -0.14 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.70 1bga n ASN 363 Cb 0.50 -4.31 0.00 0.00 -0.61 0.00 0.00 39.78 35.36 1bga n ASN 363 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bga n GLY 364 N -1.73 0.58 3.25 7.41 0.00 -1.26 -5.00 105.19 108.44 1bga n GLY 364 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 1bga n GLY 364 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bga s LYS 365 N -0.24 0.99 -0.36 1.61 -2.85 -0.94 -5.05 119.74 112.90 1bga s LYS 365 Ca 0.00 -1.13 -0.04 0.00 -1.00 0.00 0.00 55.97 53.80 1bga s LYS 365 Cb 0.00 0.34 0.07 0.00 -2.06 0.00 0.00 37.83 36.18 1bga s LYS 365 CO 0.00 -0.33 0.12 0.08 0.10 0.00 0.00 175.35 175.32 1bga s VAL 366 N -3.94 3.38 -1.48 1.79 1.01 -1.26 -0.30 120.40 119.60 1bga s VAL 366 Ca 0.13 -1.56 -0.09 0.00 0.00 0.00 0.00 61.98 60.45 1bga s VAL 366 Cb 0.05 -3.08 0.02 0.00 0.00 0.00 0.00 36.38 33.37 1bga s VAL 366 CO -0.04 -0.36 2.56 1.67 0.00 0.00 0.00 175.10 178.93 1bga n GLN 367 N 4.68 3.80 -1.50 2.72 -0.06 -1.26 -1.27 117.38 124.50 1bga n GLN 367 Ca -0.09 -2.76 -0.40 0.00 -2.00 0.00 0.00 57.00 51.75 1bga n GLN 367 Cb 0.43 -2.85 -0.02 0.00 -4.06 0.00 0.00 30.24 23.74 1bga n GLN 367 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 1bga n ASP 368 N 3.52 7.20 0.07 1.69 5.75 -1.26 -4.67 116.55 128.85 1bga n ASP 368 Ca 0.66 -2.69 0.06 0.00 -0.01 0.00 0.00 54.79 52.80 1bga n ASP 368 Cb 0.28 -1.58 0.49 0.00 -1.03 0.00 0.00 41.12 39.28 1bga n ASP 368 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1bga h ASP 369 N 5.29 0.33 0.71 -1.12 3.32 -1.99 -1.23 116.42 121.73 1bga h ASP 369 Ca 0.77 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.75 1bga h ASP 369 Cb 0.40 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1bga h ASP 369 CO 1.80 0.23 -0.28 0.03 -1.72 0.00 0.00 179.24 179.30 1bga h ARG 370 N 0.38 0.00 0.03 3.56 3.08 -1.99 -0.07 114.38 119.38 1bga h ARG 370 Ca 0.11 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.90 1bga h ARG 370 Cb -0.00 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.07 1bga h ARG 370 CO -0.03 0.28 -1.07 -0.09 -1.07 0.00 0.00 179.97 178.00 1bga h ARG 371 N 0.00 0.67 -0.77 0.04 2.43 -1.62 -1.31 114.38 113.83 1bga h ARG 371 Ca -0.00 -0.76 -0.02 0.00 -0.81 0.00 0.00 59.98 58.39 1bga h ARG 371 Cb 0.71 0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 30.45 1bga h ARG 371 CO 0.04 1.33 0.41 0.82 -1.51 0.00 0.00 179.97 181.06 1bga h ILE 372 N 0.34 1.23 0.22 1.20 2.04 -1.18 -0.41 117.51 120.95 1bga h ILE 372 Ca -0.14 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 1bga h ILE 372 Cb 1.73 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1bga h ILE 372 CO 0.21 0.27 -0.10 -1.28 0.00 0.00 0.00 178.15 177.24 1bga h SER 373 N 1.07 -0.25 -0.18 1.72 0.87 -0.97 -0.44 113.55 115.36 1bga h SER 373 Ca 0.27 -0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.81 1bga h SER 373 Cb 0.06 0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.03 1bga h SER 373 CO -0.04 -0.08 -0.16 0.22 -0.53 0.00 0.00 176.83 176.24 1bga h TYR 374 N -0.40 -0.41 -0.75 2.24 5.03 -0.96 -2.34 116.97 119.38 1bga h TYR 374 Ca -0.03 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1bga h TYR 374 Cb 0.30 0.21 -0.04 0.00 1.55 0.00 0.00 36.73 38.76 1bga h TYR 374 CO -0.03 -0.23 0.47 0.52 -1.32 0.00 0.00 178.16 177.57 1bga h MET 375 N -0.18 1.00 -0.30 1.82 2.86 -0.89 -2.43 114.93 116.81 1bga h MET 375 Ca 0.11 -0.07 0.04 0.00 -2.06 0.00 0.00 59.70 57.71 1bga h MET 375 Cb 0.34 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 1bga h MET 375 CO -0.29 0.68 0.09 1.96 1.06 0.00 0.00 176.91 180.41 1bga h GLN 376 N 1.02 0.20 -0.92 1.72 4.20 -0.78 0.27 115.11 120.81 1bga h GLN 376 Ca 0.27 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.99 1bga h GLN 376 Cb -0.08 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.61 1bga h GLN 376 CO -0.05 0.13 0.61 1.96 -0.67 0.00 0.00 178.83 180.80 1bga h GLN 377 N 0.21 1.18 -0.08 1.46 4.20 -1.17 -2.23 115.11 118.68 1bga h GLN 377 Ca 0.14 -0.07 -0.22 0.00 0.06 0.00 0.00 58.65 58.56 1bga h GLN 377 Cb 0.12 -0.27 0.01 0.00 0.30 0.00 0.00 27.48 27.64 1bga h GLN 377 CO -0.15 0.78 -0.83 0.45 -0.67 0.00 0.00 178.83 178.40 1bga h HIS 378 N 1.21 0.80 -0.01 2.96 3.86 -0.99 -3.04 115.15 119.94 1bga h HIS 378 Ca 0.35 -0.38 -0.06 0.00 -1.16 0.00 0.00 60.37 59.12 1bga h HIS 378 Cb -0.08 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 1bga h HIS 378 CO -0.01 1.19 -0.26 -0.07 0.86 0.00 0.00 177.93 179.63 1bga h LEU 379 N 0.37 0.01 -0.32 2.43 3.38 -0.87 -1.51 115.31 118.80 1bga h LEU 379 Ca -0.06 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1bga h LEU 379 Cb 1.45 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 1bga h LEU 379 CO 0.16 0.28 0.10 0.58 0.09 0.00 0.00 178.44 179.65 1bga h VAL 380 N 0.01 1.20 -0.43 1.22 2.07 -1.34 -1.16 116.25 117.82 1bga h VAL 380 Ca -0.00 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1bga h VAL 380 Cb 0.47 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1bga h VAL 380 CO 0.03 0.22 0.23 1.56 0.02 0.00 0.00 177.57 179.64 1bga h GLN 381 N 0.36 0.59 -0.15 1.57 1.08 -1.23 -0.51 115.11 116.83 1bga h GLN 381 Ca 0.10 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 1bga h GLN 381 Cb 0.24 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1bga h GLN 381 CO -0.00 0.44 -0.01 0.28 -0.95 0.00 0.00 178.83 178.60 1bga h VAL 382 N 0.60 1.26 -0.94 -0.54 2.07 -0.78 -2.02 116.25 115.89 1bga h VAL 382 Ca 0.16 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 66.85 1bga h VAL 382 Cb 0.03 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 1bga h VAL 382 CO -0.02 0.25 0.61 -0.74 0.02 0.00 0.00 177.57 177.69 1bga h HIS 383 N -0.01 1.15 0.03 1.57 -0.00 -0.73 -1.85 115.15 115.32 1bga h HIS 383 Ca 0.04 0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.46 1bga h HIS 383 Cb 0.38 -0.39 -0.03 0.00 -0.00 0.00 0.00 27.41 27.38 1bga h HIS 383 CO 0.04 0.68 -0.14 -0.09 -0.00 0.00 0.00 177.93 178.41 1bga h ARG 384 N 1.20 -0.24 -0.65 5.26 2.43 -0.94 -0.01 114.38 121.42 1bga h ARG 384 Ca 0.37 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.50 1bga h ARG 384 Cb -0.03 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 1bga h ARG 384 CO -0.11 -0.16 0.20 1.79 -1.51 0.00 0.00 179.97 180.17 1bga h THR 385 N -0.25 1.24 -0.90 0.20 1.35 -1.02 -1.07 112.91 112.45 1bga h THR 385 Ca 0.04 -0.85 0.01 0.00 -0.55 0.00 0.00 66.41 65.05 1bga h THR 385 Cb 0.30 0.53 -0.04 0.00 -1.73 0.00 0.00 68.15 67.20 1bga h THR 385 CO -0.12 0.33 0.59 0.40 -0.25 0.00 0.00 175.52 176.47 1bga h ILE 386 N 0.97 1.24 0.00 6.82 2.04 -1.03 -0.59 117.51 126.95 1bga h ILE 386 Ca 0.21 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1bga h ILE 386 Cb 0.29 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 1bga h ILE 386 CO -0.01 0.23 0.00 1.41 0.00 0.00 0.00 178.15 179.78 1bga n HIS 387 N -4.44 0.16 1.30 1.37 8.25 -0.04 -1.25 115.22 120.56 1bga n HIS 387 Ca 0.10 0.05 0.11 0.00 -0.26 0.00 0.00 57.72 57.72 1bga n HIS 387 Cb 0.02 -0.58 0.41 0.00 1.12 0.00 0.00 29.99 30.96 1bga n HIS 387 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1bga n ASP 388 N -1.63 1.58 0.00 0.41 8.00 -0.34 -4.91 116.55 119.65 1bga n ASP 388 Ca 0.06 -1.66 0.00 0.00 0.71 0.00 0.00 54.79 53.90 1bga n ASP 388 Cb 0.30 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 1bga n ASP 388 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bga n GLY 389 N 1.13 0.75 3.80 0.44 0.00 -0.38 -5.06 105.19 105.87 1bga n GLY 389 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1bga n GLY 389 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bga s LEU 390 N 0.00 3.98 -1.42 0.99 1.43 -0.53 -4.94 118.68 118.19 1bga s LEU 390 Ca 0.00 1.90 -0.07 0.00 -1.03 0.00 0.00 54.13 54.93 1bga s LEU 390 Cb 0.00 -4.41 0.04 0.00 0.03 0.00 0.00 46.19 41.85 1bga s LEU 390 CO 0.00 -0.56 2.60 1.41 0.23 0.00 0.00 176.35 180.03 1bga n HIS 391 N -0.54 2.52 -2.87 0.29 8.25 -1.26 -4.34 115.22 117.27 1bga n HIS 391 Ca 0.07 -2.91 -0.42 0.00 -0.26 0.00 0.00 57.72 54.20 1bga n HIS 391 Cb 0.52 -2.06 -0.04 0.00 1.12 0.00 0.00 29.99 29.52 1bga n HIS 391 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1bga s VAL 392 N -0.00 4.63 -0.19 1.59 1.01 -1.26 -1.14 120.40 125.04 1bga s VAL 392 Ca 0.60 1.01 0.22 0.00 0.00 0.00 0.00 61.98 63.80 1bga s VAL 392 Cb 0.19 -4.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.19 1bga s VAL 392 CO -0.08 -0.54 0.92 0.29 0.00 0.00 0.00 175.10 175.69 1bga n LYS 393 N 6.69 0.62 -3.75 2.72 4.76 0.17 -4.93 118.16 124.44 1bga n LYS 393 Ca 0.05 0.09 -0.03 0.00 -2.87 0.00 0.00 58.31 55.55 1bga n LYS 393 Cb 0.48 -1.78 -0.01 0.00 -1.84 0.00 0.00 35.03 31.88 1bga n LYS 393 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1bga s GLY 394 N -4.46 -0.22 -0.03 0.72 0.00 -1.25 -1.77 107.32 100.30 1bga s GLY 394 Ca -0.02 0.15 -0.01 0.00 0.00 0.00 0.00 44.72 44.84 1bga s GLY 394 CO 0.81 0.17 0.06 -0.47 0.00 0.00 0.00 173.10 173.67 1bga s TYR 395 N -3.11 -0.01 -0.20 1.90 6.14 0.00 -0.60 117.35 121.47 1bga s TYR 395 Ca 0.13 0.21 0.01 0.00 0.64 0.00 0.00 57.07 58.07 1bga s TYR 395 Cb -0.01 -0.23 0.04 0.00 0.42 0.00 0.00 41.96 42.18 1bga s TYR 395 CO 0.02 -0.11 -0.15 -1.64 0.64 0.00 0.00 175.55 174.31 1bga s MET 396 N 1.18 2.48 0.05 4.97 -1.94 0.22 -0.81 119.30 125.45 1bga s MET 396 Ca -0.08 -0.91 -0.30 0.00 -1.71 0.00 0.00 55.69 52.68 1bga s MET 396 Cb -0.13 -2.54 -0.08 0.00 2.01 0.00 0.00 34.83 34.09 1bga s MET 396 CO -0.04 -0.35 1.67 0.00 -0.01 0.00 0.00 175.02 176.30 1bga s ALA 397 N 1.30 3.67 -0.30 3.03 0.00 -0.41 -3.14 121.76 125.92 1bga s ALA 397 Ca 0.00 1.18 -0.29 0.00 0.00 0.00 0.00 51.96 52.85 1bga s ALA 397 Cb -0.15 -3.71 -0.01 0.00 0.00 0.00 0.00 23.12 19.25 1bga s ALA 397 CO -0.10 -1.18 1.46 -0.46 0.00 0.00 0.00 175.76 175.49 1bga s TRP 398 N 2.96 2.37 0.00 0.00 -0.11 0.36 -2.14 118.94 122.38 1bga s TRP 398 Ca 0.75 0.70 0.00 0.00 1.22 0.00 0.00 56.10 58.77 1bga s TRP 398 Cb -0.39 -4.03 0.00 0.00 -1.50 0.00 0.00 33.47 27.55 1bga s TRP 398 CO 0.32 -2.26 0.00 0.43 -4.62 0.00 0.00 176.95 170.83 1bga n SER 399 N 8.32 -1.62 -0.17 5.86 7.64 -1.05 -4.56 113.62 128.04 1bga n SER 399 Ca 0.17 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.94 1bga n SER 399 Cb 0.46 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 1bga n SER 399 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1bga h LEU 400 N 0.00 1.02 -8.76 -3.43 5.85 -1.72 -2.19 115.31 106.08 1bga h LEU 400 Ca 0.00 -0.37 -0.55 0.00 0.84 0.00 0.00 57.88 57.80 1bga h LEU 400 Cb 0.00 -0.28 -0.20 0.00 0.37 0.00 0.00 40.66 40.55 1bga h LEU 400 CO 0.00 1.16 -0.81 -0.76 -0.34 0.00 0.00 178.44 177.70 1bga s LEU 401 N -9.16 2.37 0.46 2.25 1.43 -1.26 -0.73 118.68 114.04 1bga s LEU 401 Ca -0.12 -0.77 -0.23 0.00 -1.03 0.00 0.00 54.13 51.98 1bga s LEU 401 Cb 0.12 -0.87 -0.07 0.00 0.03 0.00 0.00 46.19 45.40 1bga s LEU 401 CO 0.87 0.02 1.21 -1.81 0.23 0.00 0.00 176.35 176.86 1bga s ASP 402 N -2.28 6.07 0.00 2.29 1.01 -0.98 -4.01 116.67 118.77 1bga s ASP 402 Ca 0.11 2.41 0.00 0.00 0.71 0.00 0.00 52.55 55.79 1bga s ASP 402 Cb -0.08 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.24 1bga s ASP 402 CO 0.05 -1.00 0.00 -0.46 0.21 0.00 0.00 175.17 173.98 1bga n ASN 403 N -0.47 0.00 -4.56 0.27 0.23 -1.26 -4.76 115.26 104.71 1bga n ASN 403 Ca 0.07 -0.86 -0.41 0.00 -0.53 0.00 0.00 54.58 52.85 1bga n ASN 403 Cb 0.47 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.14 1bga n ASN 403 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1bga s PHE 404 N -5.20 2.20 -1.58 -2.53 5.36 -1.03 -4.47 117.98 110.73 1bga s PHE 404 Ca 0.00 0.37 -0.09 0.00 -0.96 0.00 0.00 56.93 56.24 1bga s PHE 404 Cb 0.00 -4.42 -0.07 0.00 -0.34 0.00 0.00 43.02 38.20 1bga s PHE 404 CO 0.00 -2.05 2.90 -1.91 -1.46 0.00 0.00 175.22 172.71 1bga n GLU 405 N 8.94 3.80 0.00 10.12 4.07 0.16 -4.65 120.64 143.09 1bga n GLU 405 Ca 0.11 -2.34 0.00 0.00 -0.06 0.00 0.00 57.16 54.86 1bga n GLU 405 Cb 0.50 -2.77 0.00 0.00 -0.06 0.00 0.00 31.44 29.10 1bga n GLU 405 CO 0.00 0.00 0.00 0.91 -0.06 0.00 0.00 177.13 177.98 1bga n TRP 406 N 3.34 0.00 0.18 4.31 7.02 -1.26 -0.51 117.44 130.52 1bga n TRP 406 Ca 0.77 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 57.34 1bga n TRP 406 Cb 0.24 0.00 0.50 0.00 -2.42 0.00 0.00 31.31 29.62 1bga n TRP 406 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1bga n ALA 407 N 9.11 1.12 0.62 6.99 0.00 -1.26 -1.13 120.51 135.97 1bga n ALA 407 Ca 0.00 0.16 0.12 0.00 0.00 0.00 0.00 53.44 53.72 1bga n ALA 407 Cb 0.00 -1.28 0.21 0.00 0.00 0.00 0.00 19.45 18.38 1bga n ALA 407 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bga n GLU 408 N -2.14 0.26 0.00 0.00 -0.58 0.34 -1.53 120.64 116.98 1bga n GLU 408 Ca -0.01 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1bga n GLU 408 Cb 0.06 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.25 1bga n GLU 408 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bga n GLY 409 N 1.35 0.41 0.57 0.62 0.00 -0.28 -3.00 105.19 104.85 1bga n GLY 409 Ca 0.04 -0.89 0.13 0.00 0.00 0.00 0.00 46.02 45.30 1bga n GLY 409 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bga n TYR 410 N 3.74 0.06 0.33 1.61 4.01 -1.26 0.40 117.16 126.05 1bga n TYR 410 Ca 0.00 -0.03 0.13 0.00 -0.16 0.00 0.00 57.90 57.84 1bga n TYR 410 Cb 0.00 0.00 0.58 0.00 -0.31 0.00 0.00 39.34 39.61 1bga n TYR 410 CO 0.00 0.00 0.00 -0.97 -0.46 0.00 0.00 176.86 175.43 1bga h ASN 411 N 2.64 0.00 -3.35 7.72 -1.24 -1.85 -3.41 115.58 116.08 1bga h ASN 411 Ca 0.00 0.00 -0.65 0.00 0.71 0.00 0.00 56.30 56.36 1bga h ASN 411 Cb 0.56 0.00 -0.36 0.00 0.73 0.00 0.00 38.32 39.25 1bga h ASN 411 CO 0.00 0.00 -0.83 -0.04 -1.29 0.00 0.00 177.43 175.27 1bga s MET 412 N -3.46 2.46 -0.23 6.67 -1.94 -1.26 -5.00 119.30 116.54 1bga s MET 412 Ca 0.02 -0.92 -0.13 0.00 -1.71 0.00 0.00 55.69 52.95 1bga s MET 412 Cb 0.09 -2.54 -0.05 0.00 2.01 0.00 0.00 34.83 34.34 1bga s MET 412 CO 0.37 -0.36 0.26 1.03 -0.01 0.00 0.00 175.02 176.31 1bga s ARG 413 N 1.30 4.10 0.00 2.03 0.52 -1.26 -4.65 118.95 120.99 1bga s ARG 413 Ca 0.00 -0.08 0.06 0.00 -0.52 0.00 0.00 55.73 55.18 1bga s ARG 413 Cb -0.15 -3.55 0.04 0.00 0.52 0.00 0.00 34.95 31.80 1bga s ARG 413 CO -0.10 -0.01 0.64 1.19 0.02 0.00 0.00 175.30 177.05 1bga n PHE 414 N 4.46 0.00 -2.17 -0.53 3.01 -1.26 -1.88 117.46 119.09 1bga n PHE 414 Ca -0.12 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.05 1bga n PHE 414 Cb 0.52 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.00 1bga n PHE 414 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1bga s GLY 415 N -0.56 1.60 0.08 1.37 0.00 -1.26 -4.43 107.32 104.13 1bga s GLY 415 Ca 0.06 -0.30 0.23 0.00 0.00 0.00 0.00 44.72 44.71 1bga s GLY 415 CO 0.08 -0.05 1.02 1.03 0.00 0.00 0.00 173.10 175.18 1bga n MET 416 N -2.60 0.39 -4.30 2.90 2.81 -0.82 -4.75 117.12 110.75 1bga n MET 416 Ca 0.04 0.02 -0.33 0.00 -1.81 0.00 0.00 57.70 55.62 1bga n MET 416 Cb 0.55 -1.65 -0.16 0.00 -0.71 0.00 0.00 33.22 31.25 1bga n MET 416 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1bga s ILE 417 N -3.26 2.03 0.27 2.02 1.01 0.09 -0.42 121.20 122.94 1bga s ILE 417 Ca 0.02 -0.94 -0.30 0.00 0.00 0.00 0.00 60.65 59.44 1bga s ILE 417 Cb 0.13 -1.83 -0.09 0.00 0.01 0.00 0.00 42.46 40.68 1bga s ILE 417 CO 0.80 0.54 1.07 -2.28 0.00 0.00 0.00 174.94 175.07 1bga s HIS 418 N 1.14 3.65 -0.12 3.97 5.65 0.64 -2.33 115.29 127.88 1bga s HIS 418 Ca 0.01 1.73 0.01 0.00 0.25 0.00 0.00 55.06 57.06 1bga s HIS 418 Cb -0.14 -3.23 0.02 0.00 -1.18 0.00 0.00 32.58 28.05 1bga s HIS 418 CO -0.09 -0.38 -0.15 0.08 -0.65 0.00 0.00 174.74 173.55 1bga s VAL 419 N -1.10 1.51 -0.56 0.89 1.01 -1.26 -0.02 120.40 120.88 1bga s VAL 419 Ca 0.44 -0.63 -0.22 0.00 0.00 0.00 0.00 61.98 61.57 1bga s VAL 419 Cb -0.31 -1.40 0.05 0.00 0.00 0.00 0.00 36.38 34.73 1bga s VAL 419 CO 0.39 0.45 0.83 -0.62 0.00 0.00 0.00 175.10 176.14 1bga s ASP 420 N 1.18 6.27 0.05 3.32 -1.08 -0.78 -4.91 116.67 120.71 1bga s ASP 420 Ca -0.02 -0.70 0.05 0.00 -0.52 0.00 0.00 52.55 51.35 1bga s ASP 420 Cb -0.14 -2.38 0.23 0.00 -1.46 0.00 0.00 42.92 39.17 1bga s ASP 420 CO -0.05 -1.14 1.14 0.49 0.52 0.00 0.00 175.17 176.13 1bga n PHE 421 N 7.01 0.12 0.09 -5.34 3.72 -1.26 0.11 117.46 121.91 1bga n PHE 421 Ca -0.03 0.06 -0.16 0.00 -0.05 0.00 0.00 57.45 57.28 1bga n PHE 421 Cb 0.46 -0.60 -0.14 0.00 -0.94 0.00 0.00 39.48 38.26 1bga n PHE 421 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bga h ARG 422 N 0.00 0.27 0.00 -1.08 3.08 -1.97 -3.39 114.38 111.29 1bga h ARG 422 Ca 0.00 -0.45 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1bga h ARG 422 Cb 0.02 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1bga h ARG 422 CO 0.00 1.18 -0.75 0.25 -1.07 0.00 0.00 179.97 179.59 1bga n THR 423 N -3.50 0.00 -1.00 2.04 -2.24 -0.40 -4.99 114.28 104.19 1bga n THR 423 Ca -0.11 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1bga n THR 423 Cb 1.03 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 1bga n THR 423 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bga n GLN 424 N -1.40 -0.85 -2.22 -0.78 1.13 0.30 -4.98 117.38 108.57 1bga n GLN 424 Ca -0.00 0.21 -0.42 0.00 -1.94 0.00 0.00 57.00 54.85 1bga n GLN 424 Cb 0.10 -3.86 -0.03 0.00 0.11 0.00 0.00 30.24 26.56 1bga n GLN 424 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1bga s VAL 425 N -1.59 3.41 -0.13 5.09 1.01 -1.23 -4.76 120.40 122.21 1bga s VAL 425 Ca 0.00 1.03 -0.13 0.00 0.00 0.00 0.00 61.98 62.88 1bga s VAL 425 Cb 0.00 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 1bga s VAL 425 CO 0.00 0.09 0.30 -0.13 0.00 0.00 0.00 175.10 175.36 1bga s ARG 426 N 0.89 4.11 -0.29 2.72 3.00 -1.26 -1.86 118.95 126.26 1bga s ARG 426 Ca 0.62 0.13 -0.01 0.00 0.00 0.00 0.00 55.73 56.47 1bga s ARG 426 Cb -0.36 -3.37 0.09 0.00 0.00 0.00 0.00 34.95 31.32 1bga s ARG 426 CO 0.31 0.37 0.09 0.99 0.00 0.00 0.00 175.30 177.06 1bga s THR 427 N 0.06 0.80 0.16 0.02 2.01 0.97 -4.95 115.64 114.70 1bga s THR 427 Ca 0.18 -1.27 -0.34 0.00 0.31 0.00 0.00 61.69 60.57 1bga s THR 427 Cb -0.14 -1.56 -0.14 0.00 0.01 0.00 0.00 72.50 70.67 1bga s THR 427 CO 0.06 -0.61 1.55 -2.65 -0.69 0.00 0.00 174.62 172.28 1bga n PRO 428 N 4.89 2.07 -1.92 4.92 -0.02 -1.26 -0.26 135.00 143.41 1bga n PRO 428 Ca -0.03 0.75 -0.29 0.00 -2.02 0.00 0.00 63.50 61.90 1bga n PRO 428 Cb 0.43 -2.50 0.12 0.00 -0.02 0.00 0.00 33.50 31.52 1bga n PRO 428 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1bga s LYS 429 N 0.84 1.57 0.48 -0.52 1.02 0.44 -4.61 119.74 118.96 1bga s LYS 429 Ca 0.79 -0.07 0.14 0.00 0.02 0.00 0.00 55.97 56.86 1bga s LYS 429 Cb -0.70 -1.93 1.11 0.00 -0.52 0.00 0.00 37.83 35.79 1bga s LYS 429 CO 0.39 -1.83 2.07 0.93 -0.92 0.00 0.00 175.35 175.99 1bga h GLU 430 N -1.21 0.07 -0.19 1.68 4.39 -1.47 -0.97 114.58 116.87 1bga h GLU 430 Ca -0.45 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.19 1bga h GLU 430 Cb 1.30 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.92 1bga h GLU 430 CO 0.57 0.12 -0.08 0.66 -1.16 0.00 0.00 179.01 179.13 1bga h SER 431 N 0.07 0.28 0.12 1.42 4.64 -1.82 -1.93 113.55 116.32 1bga h SER 431 Ca 0.02 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1bga h SER 431 Cb 0.13 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1bga h SER 431 CO 0.01 0.39 -0.06 0.22 -0.87 0.00 0.00 176.83 176.52 1bga h TYR 432 N 0.29 -0.14 -0.26 4.77 5.03 -1.31 0.25 116.97 125.58 1bga h TYR 432 Ca 0.06 -0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.30 1bga h TYR 432 Cb 0.32 0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.63 1bga h TYR 432 CO 0.01 -0.08 -0.15 1.88 -1.32 0.00 0.00 178.16 178.50 1bga h TYR 433 N -0.17 0.49 -0.17 -3.82 0.05 -1.45 0.23 116.97 112.12 1bga h TYR 433 Ca -0.02 -0.08 -0.03 0.00 0.05 0.00 0.00 58.73 58.66 1bga h TYR 433 Cb 0.13 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 1bga h TYR 433 CO -0.07 0.59 -0.00 2.35 -1.05 0.00 0.00 178.16 179.98 1bga h TRP 434 N 0.42 0.33 -0.65 4.88 7.01 -1.09 -2.77 115.95 124.08 1bga h TRP 434 Ca 0.08 -0.06 -0.05 0.00 2.11 0.00 0.00 58.89 60.97 1bga h TRP 434 Cb 0.51 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.46 1bga h TRP 434 CO 0.02 0.51 0.23 -0.92 -2.79 0.00 0.00 178.44 175.49 1bga h TYR 435 N 0.05 1.02 -0.96 2.65 3.20 0.07 -1.94 116.97 121.06 1bga h TYR 435 Ca 0.05 -0.09 0.16 0.00 3.14 0.00 0.00 58.73 61.99 1bga h TYR 435 Cb 0.38 -0.30 -0.09 0.00 1.54 0.00 0.00 36.73 38.27 1bga h TYR 435 CO 0.03 0.82 0.61 -0.09 -1.64 0.00 0.00 178.16 177.89 1bga h ARG 436 N 0.93 0.75 -0.13 1.82 2.43 -0.49 -0.61 114.38 119.09 1bga h ARG 436 Ca 0.21 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 1bga h ARG 436 Cb 0.25 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1bga h ARG 436 CO -0.01 0.50 -0.06 -0.91 -1.51 0.00 0.00 179.97 177.97 1bga h ASN 437 N 0.77 0.28 0.29 -3.80 2.35 -1.08 -1.49 115.58 112.91 1bga h ASN 437 Ca 0.51 -0.41 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1bga h ASN 437 Cb 0.76 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.06 1bga h ASN 437 CO -0.27 0.63 -0.14 0.58 -1.65 0.00 0.00 177.43 176.58 1bga h VAL 438 N -0.07 0.72 -0.07 2.81 2.07 -0.74 0.59 116.25 121.56 1bga h VAL 438 Ca 0.03 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 1bga h VAL 438 Cb 0.53 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1bga h VAL 438 CO 0.02 0.01 -0.33 -0.37 0.02 0.00 0.00 177.57 176.92 1bga h VAL 439 N -0.41 1.26 0.11 2.57 -1.51 -1.22 0.45 116.25 117.50 1bga h VAL 439 Ca -0.04 -1.23 -0.28 0.00 -1.23 0.00 0.00 66.70 63.93 1bga h VAL 439 Cb 0.31 1.57 0.01 0.00 -2.13 0.00 0.00 31.29 31.06 1bga h VAL 439 CO 0.07 0.36 -1.20 0.28 -1.23 0.00 0.00 177.57 175.85 1bga h SER 440 N 0.11 0.61 1.20 4.19 0.02 -1.15 -3.28 113.55 115.26 1bga h SER 440 Ca 0.01 -0.58 -0.17 0.00 -0.84 0.00 0.00 61.79 60.21 1bga h SER 440 Cb 0.64 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1bga h SER 440 CO 0.05 1.42 -0.80 0.78 -1.14 0.00 0.00 176.83 177.14 1bga h ASN 441 N 0.17 0.00 -0.52 3.07 2.35 -0.68 -3.48 115.58 116.49 1bga h ASN 441 Ca -0.15 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.40 1bga h ASN 441 Cb 1.88 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 40.18 1bga h ASN 441 CO 0.21 0.79 -0.19 -3.20 -1.65 0.00 0.00 177.43 173.39 1bga n ASN 442 N -3.29 -4.12 -3.78 5.81 4.05 0.16 -5.00 115.26 109.09 1bga n ASN 442 Ca 0.01 0.23 -0.13 0.00 0.45 0.00 0.00 54.58 55.13 1bga n ASN 442 Cb 0.85 -2.54 -0.09 0.00 1.23 0.00 0.00 39.78 39.24 1bga n ASN 442 CO 0.00 0.00 0.00 -1.66 -3.05 0.00 0.00 177.26 172.55 1bga s TRP 443 N -2.37 -0.15 0.13 1.20 1.48 -1.20 -1.42 118.94 116.61 1bga s TRP 443 Ca 0.00 0.21 0.10 0.00 -1.06 0.00 0.00 56.10 55.35 1bga s TRP 443 Cb 0.00 0.08 -0.04 0.00 -1.16 0.00 0.00 33.47 32.34 1bga s TRP 443 CO 0.00 -0.37 -0.20 -1.17 -4.06 0.00 0.00 176.95 171.15 1bga s LEU 444 N -1.32 2.61 -0.05 -4.66 2.96 0.48 -4.57 118.68 114.13 1bga s LEU 444 Ca -0.14 -0.63 0.00 0.00 -0.22 0.00 0.00 54.13 53.15 1bga s LEU 444 Cb -0.06 -1.44 0.02 0.00 0.50 0.00 0.00 46.19 45.21 1bga s LEU 444 CO 0.04 0.17 -0.03 -0.70 -1.32 0.00 0.00 176.35 174.51 1bga s GLU 445 N -2.21 0.72 -0.17 1.98 2.12 -1.26 0.56 118.70 120.44 1bga s GLU 445 Ca 0.18 -0.04 -0.09 0.00 0.36 0.00 0.00 54.97 55.37 1bga s GLU 445 Cb -0.10 -0.82 -0.05 0.00 0.26 0.00 0.00 34.13 33.43 1bga s GLU 445 CO 0.09 -0.13 0.15 0.95 -0.54 0.00 0.00 175.26 175.78 1bga s THR 446 N 1.13 5.43 0.11 -1.70 -4.23 0.36 -4.99 115.64 111.74 1bga s THR 446 Ca -0.08 0.23 0.03 0.00 -1.18 0.00 0.00 61.69 60.69 1bga s THR 446 Cb -0.14 -3.46 -0.04 0.00 1.34 0.00 0.00 72.50 70.20 1bga s THR 446 CO -0.01 0.49 -0.08 -0.13 -0.54 0.00 0.00 174.62 174.36 1bga s ARG 447 N -0.09 0.87 0.00 3.99 0.52 -1.26 -2.03 118.95 120.95 1bga s ARG 447 Ca 0.11 -1.32 0.19 0.00 -0.52 0.00 0.00 55.73 54.19 1bga s ARG 447 Cb -0.12 -0.33 1.13 0.00 0.52 0.00 0.00 34.95 36.16 1bga s ARG 447 CO 0.01 0.01 1.53 -2.13 0.02 0.00 0.00 175.30 174.74