#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 4.43 -0.33 12.58 1.01 -1.26 -0.38 121.20 137.25 1bga s ILE 3 Ca 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 60.65 60.52 1bga s ILE 3 Cb 0.00 -2.97 0.09 0.00 0.01 0.00 0.00 42.46 39.59 1bga s ILE 3 CO 0.00 0.48 0.03 -0.36 0.00 0.00 0.00 174.94 175.09 1bga s PHE 4 N 0.34 3.62 -0.01 3.97 0.40 0.17 -4.98 117.98 121.50 1bga s PHE 4 Ca 0.00 -2.87 -0.29 0.00 -0.60 0.00 0.00 56.93 53.18 1bga s PHE 4 Cb -0.13 -2.75 -0.03 0.00 0.51 0.00 0.00 43.02 40.61 1bga s PHE 4 CO 0.01 -0.94 0.92 -1.14 0.70 0.00 0.00 175.22 174.77 1bga s GLN 5 N 0.95 4.54 0.30 0.44 2.00 -1.26 -0.21 119.66 126.41 1bga s GLN 5 Ca 0.08 1.30 0.04 0.00 -2.00 0.00 0.00 55.36 54.79 1bga s GLN 5 Cb -0.19 -3.45 -0.02 0.00 0.80 0.00 0.00 33.01 30.14 1bga s GLN 5 CO -0.08 -0.01 0.44 -0.06 -0.50 0.00 0.00 175.29 175.08 1bga s PHE 6 N 0.90 3.38 0.47 1.67 0.40 -0.58 -5.00 117.98 119.22 1bga s PHE 6 Ca 0.49 0.04 -0.24 0.00 -0.60 0.00 0.00 56.93 56.62 1bga s PHE 6 Cb -0.20 -1.77 -0.07 0.00 0.51 0.00 0.00 43.02 41.48 1bga s PHE 6 CO 0.26 0.23 1.33 -2.14 0.70 0.00 0.00 175.22 175.60 1bga s PRO 7 N -4.13 3.60 0.30 0.24 0.02 -1.26 -4.91 135.00 128.86 1bga s PRO 7 Ca 0.38 2.19 0.06 0.00 0.02 0.00 0.00 61.00 63.65 1bga s PRO 7 Cb -0.09 -2.52 0.81 0.00 0.02 0.00 0.00 34.50 32.72 1bga s PRO 7 CO 0.32 -0.81 1.67 0.37 -0.33 0.00 0.00 177.00 178.22 1bga h GLN 8 N 2.10 0.32 -0.66 5.54 5.75 -1.97 0.08 115.11 126.27 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 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.75 1bga h GLN 8 CO 0.60 0.21 0.00 -0.25 -2.65 0.00 0.00 178.83 176.74 1bga n ASP 9 N -5.10 4.13 -4.69 -0.69 8.00 -1.26 -4.98 116.55 111.96 1bga n ASP 9 Ca 0.24 -2.25 -0.44 0.00 0.71 0.00 0.00 54.79 53.06 1bga n ASP 9 Cb 0.74 -0.52 -0.02 0.00 -0.02 0.00 0.00 41.12 41.30 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 2.36 -3.32 1.24 7.35 0.01 -4.92 117.46 121.39 1bga n PHE 10 Ca 0.23 0.38 -0.42 0.00 -0.76 0.00 0.00 57.45 56.89 1bga n PHE 10 Cb 0.73 -2.50 -0.09 0.00 0.35 0.00 0.00 39.48 37.98 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 -0.43 3.37 -0.12 -4.13 -2.45 -0.73 -5.01 119.30 109.80 1bga s MET 11 Ca 0.67 -0.50 -0.08 0.00 -1.25 0.00 0.00 55.69 54.53 1bga s MET 11 Cb -0.61 -3.88 -0.04 0.00 1.25 0.00 0.00 34.83 31.55 1bga s MET 11 CO 0.49 -0.70 0.15 -1.58 1.05 0.00 0.00 175.02 174.43 1bga s TRP 12 N 2.18 3.58 0.07 4.11 0.52 -1.26 -0.84 118.94 127.30 1bga s TRP 12 Ca 0.14 0.53 -0.04 0.00 0.02 0.00 0.00 56.10 56.75 1bga s TRP 12 Cb -0.16 -1.98 0.01 0.00 -1.15 0.00 0.00 33.47 30.19 1bga s TRP 12 CO 0.13 0.68 0.18 0.41 0.02 0.00 0.00 176.95 178.38 1bga n GLY 13 N 2.16 1.63 3.25 0.98 0.00 0.13 -0.86 105.19 112.47 1bga n GLY 13 Ca -0.19 -1.04 -0.14 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.73 0.19 0.07 2.61 -4.23 -1.23 -1.29 115.64 109.04 1bga s THR 14 Ca 0.04 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.48 1bga s THR 14 Cb -0.01 -2.55 -0.01 0.00 1.34 0.00 0.00 72.50 71.27 1bga s THR 14 CO 0.02 0.00 0.13 0.00 -0.54 0.00 0.00 174.62 174.23 1bga s ALA 15 N -3.99 -0.04 0.29 3.99 0.00 -0.89 -1.44 121.76 119.68 1bga s ALA 15 Ca 0.39 -0.72 -0.09 0.00 0.00 0.00 0.00 51.96 51.53 1bga s ALA 15 Cb 0.07 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.58 1bga s ALA 15 CO 0.13 -0.44 0.49 0.95 0.00 0.00 0.00 175.76 176.90 1bga s THR 16 N -3.61 0.00 0.01 0.00 -4.23 -0.13 -2.54 115.64 105.13 1bga s THR 16 Ca 0.03 -1.45 0.03 0.00 -1.18 0.00 0.00 61.69 59.12 1bga s THR 16 Cb 0.04 -2.43 -0.01 0.00 1.34 0.00 0.00 72.50 71.44 1bga s THR 16 CO -0.09 0.00 -0.09 0.00 -0.54 0.00 0.00 174.62 173.89 1bga s ALA 17 N -3.53 0.77 0.14 3.99 0.00 -1.26 -3.65 121.76 118.21 1bga s ALA 17 Ca 0.25 -0.50 -0.29 0.00 0.00 0.00 0.00 51.96 51.43 1bga s ALA 17 Cb -0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 1bga s ALA 17 CO 0.13 0.16 1.58 0.00 0.00 0.00 0.00 175.76 177.63 1bga h ALA 18 N 5.58 -0.55 0.00 0.00 0.00 -1.90 -2.02 119.26 120.36 1bga h ALA 18 Ca -0.32 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1bga h ALA 18 Cb 1.18 0.80 -0.00 0.00 0.00 0.00 0.00 17.79 19.77 1bga h ALA 18 CO 0.48 -0.91 -0.05 -0.92 0.00 0.00 0.00 179.25 177.85 1bga h TYR 19 N -0.46 0.00 0.00 0.00 3.20 -1.88 0.96 116.97 118.79 1bga h TYR 19 Ca 0.09 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.81 1bga h TYR 19 Cb 0.61 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 1bga h TYR 19 CO -0.51 0.05 -0.68 1.96 -1.64 0.00 0.00 178.16 177.34 1bga h GLN 20 N 0.00 0.00 0.00 1.82 4.20 -1.64 -3.42 115.11 116.07 1bga h GLN 20 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 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 0.68 -0.96 0.44 -0.67 0.00 0.00 178.83 178.33 1bga n ILE 21 N -3.27 0.00 -2.12 2.54 -5.35 -0.91 -2.41 119.36 107.84 1bga n ILE 21 Ca 0.01 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 62.08 1bga n ILE 21 Cb 0.81 -0.71 -0.03 0.00 -1.74 0.00 0.00 39.64 37.97 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 -1.96 4.31 -0.59 6.28 2.02 0.28 -1.14 118.70 127.91 1bga s GLU 22 Ca 0.00 2.14 0.06 0.00 0.02 0.00 0.00 54.97 57.20 1bga s GLU 22 Cb 0.00 -3.20 0.25 0.00 0.10 0.00 0.00 34.13 31.28 1bga s GLU 22 CO 0.00 -0.42 0.71 0.41 0.02 0.00 0.00 175.26 175.98 1bga n GLY 23 N 3.08 4.45 2.72 -1.39 0.00 -1.20 -4.59 105.19 108.26 1bga n GLY 23 Ca 0.10 -2.54 -0.09 0.00 0.00 0.00 0.00 46.02 43.49 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 0.94 -0.86 0.28 4.61 0.00 -1.18 -4.56 120.51 119.73 1bga n ALA 24 Ca 0.28 -1.49 0.18 0.00 0.00 0.00 0.00 53.44 52.41 1bga n ALA 24 Cb 0.43 -1.19 0.96 0.00 0.00 0.00 0.00 19.45 19.65 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 3.23 0.00 -0.04 0.00 -0.00 -1.82 -2.07 116.97 116.28 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 0.26 0.00 0.00 1.04 -0.00 0.00 0.00 178.16 179.46 1bga n GLN 26 N -3.56 0.50 -2.60 0.10 6.02 -1.26 -4.64 117.38 111.95 1bga n GLN 26 Ca -0.01 -0.99 -0.32 0.00 -0.01 0.00 0.00 57.00 55.66 1bga n GLN 26 Cb 0.18 -1.07 -0.05 0.00 1.02 0.00 0.00 30.24 30.32 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 4.07 -1.75 -1.09 2.12 -0.78 -4.05 118.70 116.72 1bga s GLU 27 Ca 0.05 1.02 -0.19 0.00 0.36 0.00 0.00 54.97 56.21 1bga s GLU 27 Cb 0.03 -2.16 0.18 0.00 0.26 0.00 0.00 34.13 32.44 1bga s GLU 27 CO 0.05 -0.16 0.72 -0.25 -0.54 0.00 0.00 175.26 175.08 1bga n ASP 28 N -1.15 -2.79 -0.46 -1.70 8.00 -1.26 -1.66 116.55 115.53 1bga n ASP 28 Ca 0.07 -1.08 -0.06 0.00 0.71 0.00 0.00 54.79 54.43 1bga n ASP 28 Cb 0.54 -2.43 -0.02 0.00 -0.02 0.00 0.00 41.12 39.18 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 -1.33 0.82 3.73 0.44 0.00 -1.26 -4.50 105.19 103.09 1bga n GLY 29 Ca 0.07 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.54 4.38 0.50 1.61 3.52 -0.66 -4.69 118.95 121.06 1bga s ARG 30 Ca 0.00 2.03 -0.02 0.00 -0.13 0.00 0.00 55.73 57.61 1bga s ARG 30 Cb 0.00 -3.22 -0.00 0.00 -1.56 0.00 0.00 34.95 30.17 1bga s ARG 30 CO 0.00 -0.29 0.77 0.20 -0.81 0.00 0.00 175.30 175.16 1bga s GLY 31 N 0.58 1.58 0.44 8.12 0.00 0.72 -4.62 107.32 114.14 1bga s GLY 31 Ca 0.59 -0.88 -0.23 0.00 0.00 0.00 0.00 44.72 44.20 1bga s GLY 31 CO 0.35 -0.67 1.09 1.08 0.00 0.00 0.00 173.10 174.96 1bga s LEU 32 N -4.73 4.03 0.38 0.66 1.43 -1.26 -4.73 118.68 114.45 1bga s LEU 32 Ca 0.50 2.12 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 41.80 1bga s LEU 32 CO 0.41 -0.73 0.26 -0.94 0.23 0.00 0.00 176.35 175.58 1bga s SER 33 N -1.56 4.88 0.61 2.29 1.04 -1.26 -0.48 113.70 119.22 1bga s SER 33 Ca 0.62 -0.76 0.36 0.00 0.48 0.00 0.00 55.95 56.65 1bga s SER 33 Cb -0.24 -0.69 2.00 0.00 0.10 0.00 0.00 66.02 67.20 1bga s SER 33 CO 0.29 -0.47 2.27 0.16 0.98 0.00 0.00 173.24 176.47 1bga h ILE 34 N 1.30 0.30 0.02 -1.02 3.07 -0.82 -1.48 117.51 118.88 1bga h ILE 34 Ca -0.43 -0.10 -0.21 0.00 1.55 0.00 0.00 64.86 65.67 1bga h ILE 34 Cb 1.26 1.07 -0.02 0.00 -0.27 0.00 0.00 36.82 38.86 1bga h ILE 34 CO 0.62 0.02 -0.97 -0.50 -1.05 0.00 0.00 178.15 176.26 1bga h TRP 35 N 0.00 0.15 -0.00 0.16 4.06 -1.83 0.16 115.95 118.64 1bga h TRP 35 Ca -0.00 -0.10 -0.00 0.00 2.06 0.00 0.00 58.89 60.85 1bga h TRP 35 Cb 0.07 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 28.22 1bga h TRP 35 CO 0.00 1.00 0.00 -0.44 -3.56 0.00 0.00 178.44 175.44 1bga h ASP 36 N 0.04 0.00 -0.11 -3.49 5.19 -1.67 -0.51 116.42 115.86 1bga h ASP 36 Ca -0.04 -0.24 0.04 0.00 -0.62 0.00 0.00 57.03 56.18 1bga h ASP 36 Cb 1.67 -0.00 -0.05 0.00 0.18 0.00 0.00 39.33 41.13 1bga h ASP 36 CO 0.14 0.24 -0.16 0.74 -3.12 0.00 0.00 179.24 177.08 1bga h THR 37 N -0.23 0.58 0.20 0.35 2.02 -1.43 0.25 112.91 114.65 1bga h THR 37 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1bga h THR 37 Cb 0.24 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1bga h THR 37 CO 0.00 0.00 -0.21 0.15 0.37 0.00 0.00 175.52 175.83 1bga h PHE 38 N -0.21 -0.56 0.00 3.16 3.57 -0.88 -2.11 116.94 119.91 1bga h PHE 38 Ca 0.09 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1bga h PHE 38 Cb 0.34 0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 1bga h PHE 38 CO -0.27 -0.32 -0.15 0.00 -2.23 0.00 0.00 178.31 175.35 1bga h ALA 39 N 0.28 1.63 0.00 2.41 0.00 -0.91 -1.24 119.26 121.42 1bga h ALA 39 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1bga h ALA 39 Cb 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1bga h ALA 39 CO -0.06 0.19 0.00 0.72 0.00 0.00 0.00 179.25 180.09 1bga n HIS 40 N -4.18 0.00 -3.67 0.00 8.25 0.06 -4.73 115.22 110.95 1bga n HIS 40 Ca -0.02 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.07 1bga n HIS 40 Cb 0.22 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.24 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 5.37 0.25 1.59 2.01 -0.47 -5.05 115.64 117.33 1bga s THR 41 Ca 0.43 0.21 -0.31 0.00 0.31 0.00 0.00 61.69 62.33 1bga s THR 41 Cb 0.20 -3.50 -0.13 0.00 0.01 0.00 0.00 72.50 69.08 1bga s THR 41 CO 0.33 0.37 1.55 -2.65 -0.69 0.00 0.00 174.62 173.53 1bga n PRO 42 N 4.08 2.42 0.00 4.92 -0.02 -1.26 -2.27 135.00 142.86 1bga n PRO 42 Ca -0.15 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1bga n PRO 42 Cb 0.52 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 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 2.57 1.86 0.13 -1.23 0.00 -1.26 -4.92 105.19 102.33 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 2.79 0.38 -6.49 1.61 1.79 -1.71 -3.46 116.57 111.48 1bga h LYS 44 Ca 0.00 -0.65 -0.68 0.00 -2.18 0.00 0.00 60.65 57.15 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 1.96 0.03 0.50 1.01 -1.26 -4.80 120.40 115.33 1bga s VAL 45 Ca -0.14 -1.09 -0.37 0.00 0.00 0.00 0.00 61.98 60.38 1bga s VAL 45 Cb 0.03 -1.63 -0.16 0.00 0.00 0.00 0.00 36.38 34.62 1bga s VAL 45 CO 0.86 0.52 1.46 0.33 0.00 0.00 0.00 175.10 178.27 1bga n PHE 46 N 2.38 1.74 -1.22 5.22 7.35 -0.57 -1.35 117.46 131.01 1bga n PHE 46 Ca -0.16 0.55 -0.08 0.00 -0.76 0.00 0.00 57.45 57.00 1bga n PHE 46 Cb 0.52 -2.39 -0.03 0.00 0.35 0.00 0.00 39.48 37.92 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 3.30 -5.65 -0.76 -2.13 4.05 -1.26 -2.18 115.26 110.63 1bga n ASN 47 Ca 0.20 0.19 -0.10 0.00 0.45 0.00 0.00 54.58 55.32 1bga n ASN 47 Cb 0.20 -3.82 -0.04 0.00 1.23 0.00 0.00 39.78 37.34 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 0.26 1.11 3.69 8.20 0.00 -0.46 -4.98 105.19 113.02 1bga n GLY 48 Ca -0.08 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.73 3.23 0.35 1.61 1.01 -0.93 -4.95 116.67 114.28 1bga s ASP 49 Ca 0.00 2.03 -0.13 0.00 0.71 0.00 0.00 52.55 55.16 1bga s ASP 49 Cb 0.00 -2.53 0.04 0.00 1.01 0.00 0.00 42.92 41.44 1bga s ASP 49 CO 0.00 -2.88 0.69 0.54 0.21 0.00 0.00 175.17 173.73 1bga s ASN 50 N -2.88 0.17 -0.28 0.27 2.20 -1.26 -4.81 114.94 108.34 1bga s ASN 50 Ca 0.65 -1.14 0.10 0.00 -0.94 0.00 0.00 52.86 51.54 1bga s ASN 50 Cb -0.21 0.78 0.73 0.00 -2.00 0.00 0.00 41.25 40.54 1bga s ASN 50 CO 0.58 -1.52 1.72 0.61 -2.94 0.00 0.00 177.10 175.55 1bga n GLY 51 N -0.52 3.32 0.30 0.45 0.00 -1.26 -4.46 105.19 103.01 1bga n GLY 51 Ca -0.05 -0.91 0.05 0.00 0.00 0.00 0.00 46.02 45.11 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 2.90 0.51 0.00 1.61 4.21 -1.91 -3.34 115.58 119.56 1bga h ASN 52 Ca 0.18 0.08 -0.07 0.00 1.21 0.00 0.00 56.30 57.70 1bga h ASN 52 Cb 2.14 -0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 39.33 1bga h ASN 52 CO 0.63 0.24 -1.26 0.52 -1.29 0.00 0.00 177.43 176.27 1bga n VAL 53 N -4.86 0.26 0.00 2.81 0.31 -1.26 -3.13 118.33 112.46 1bga n VAL 53 Ca 0.15 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1bga n VAL 53 Cb 0.38 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 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 -2.66 0.00 0.70 3.52 0.00 -1.25 0.09 120.51 120.90 1bga n ALA 54 Ca -0.08 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.48 1bga n ALA 54 Cb 0.59 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.23 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 1.32 -4.64 0.04 0.00 2.03 0.11 -4.80 116.55 110.61 1bga n ASP 56 Ca 0.17 -0.48 0.08 0.00 0.52 0.00 0.00 54.79 55.08 1bga n ASP 56 Cb 0.58 -3.77 0.34 0.00 -0.72 0.00 0.00 41.12 37.56 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 -2.51 0.19 0.04 1.67 7.64 -0.29 -0.93 113.62 119.43 1bga n SER 57 Ca -0.02 0.55 0.01 0.00 1.01 0.00 0.00 58.87 60.42 1bga n SER 57 Cb 0.55 -0.59 0.34 0.00 -1.01 0.00 0.00 64.21 63.51 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 0.44 0.00 1.43 3.20 -1.87 -2.35 116.97 117.81 1bga h TYR 58 Ca 0.00 -0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.70 1bga h TYR 58 Cb 0.26 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 1bga h TYR 58 CO 0.00 0.46 -1.85 0.72 -1.64 0.00 0.00 178.16 175.85 1bga n HIS 59 N -4.30 0.00 -0.48 -3.82 8.25 -0.60 -4.63 115.22 109.65 1bga n HIS 59 Ca 0.01 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.57 1bga n HIS 59 Cb 0.24 -0.53 0.31 0.00 1.12 0.00 0.00 29.99 31.13 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 -2.28 3.18 -0.23 -0.41 1.74 -0.11 -4.60 116.66 113.95 1bga n ARG 60 Ca -0.13 -2.69 0.17 0.00 -0.77 0.00 0.00 57.85 54.43 1bga n ARG 60 Cb 0.68 -1.68 0.48 0.00 -1.02 0.00 0.00 32.46 30.93 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 3.82 0.58 -0.60 -1.55 -0.00 -1.67 -1.77 116.97 115.78 1bga h TYR 61 Ca 0.00 0.02 -0.05 0.00 -0.00 0.00 0.00 58.73 58.70 1bga h TYR 61 Cb 1.17 -0.18 -0.03 0.00 -0.00 0.00 0.00 36.73 37.69 1bga h TYR 61 CO 0.57 0.18 0.18 0.93 -0.00 0.00 0.00 178.16 180.03 1bga h GLU 62 N 0.47 0.94 -0.26 0.10 5.08 -1.88 0.09 114.58 119.11 1bga h GLU 62 Ca 0.44 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 1bga h GLU 62 Cb 1.00 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1bga h GLU 62 CO -0.17 0.84 -0.01 1.49 -1.00 0.00 0.00 179.01 180.16 1bga h GLU 63 N 0.86 0.46 -0.60 2.33 4.81 -1.69 -1.47 114.58 119.28 1bga h GLU 63 Ca 0.19 -0.15 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1bga h GLU 63 Cb 0.30 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.59 1bga h GLU 63 CO -0.01 0.64 0.34 -0.44 -0.73 0.00 0.00 179.01 178.81 1bga h ASP 64 N 0.24 0.52 0.06 1.04 3.32 -1.27 -0.41 116.42 119.91 1bga h ASP 64 Ca 0.07 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 1bga h ASP 64 Cb 0.43 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1bga h ASP 64 CO 0.01 0.35 -0.24 0.40 -1.72 0.00 0.00 179.24 178.05 1bga h ILE 65 N 0.65 1.24 -0.36 0.35 2.04 -0.86 0.14 117.51 120.71 1bga h ILE 65 Ca 0.26 -1.13 -0.08 0.00 1.00 0.00 0.00 64.86 64.91 1bga h ILE 65 Cb 0.12 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1bga h ILE 65 CO -0.15 0.35 -0.08 -0.09 0.00 0.00 0.00 178.15 178.18 1bga h ARG 66 N 0.28 0.69 -0.46 2.37 2.43 -0.36 -0.86 114.38 118.47 1bga h ARG 66 Ca 0.05 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 58.93 1bga h ARG 66 Cb 0.58 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 1bga h ARG 66 CO 0.04 0.84 0.21 -0.07 -1.51 0.00 0.00 179.97 179.48 1bga h LEU 67 N 0.49 0.62 -0.28 3.80 3.38 -0.53 -1.74 115.31 121.03 1bga h LEU 67 Ca 0.09 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1bga h LEU 67 Cb 0.58 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1bga h LEU 67 CO 0.03 0.59 0.00 1.15 0.09 0.00 0.00 178.44 180.30 1bga n MET 68 N -4.62 0.16 0.09 1.13 0.00 0.45 -1.90 117.12 112.43 1bga n MET 68 Ca 0.01 0.28 -0.16 0.00 0.00 0.00 0.00 57.70 57.83 1bga n MET 68 Cb 0.13 -1.74 -0.10 0.00 0.00 0.00 0.00 33.22 31.50 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 0.37 0.00 3.17 1.63 -0.40 -3.07 116.57 118.27 1bga h LYS 69 Ca 0.00 -0.51 -0.08 0.00 -0.85 0.00 0.00 60.65 59.21 1bga h LYS 69 Cb 0.48 0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.27 1bga h LYS 69 CO 0.00 1.20 -0.39 0.93 -3.45 0.00 0.00 179.45 177.74 1bga h GLU 70 N 0.15 0.00 0.00 1.90 5.08 -0.82 -2.59 114.58 118.30 1bga h GLU 70 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1bga h GLU 70 Cb 1.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.08 1bga h GLU 70 CO 0.20 0.39 0.00 1.25 -1.00 0.00 0.00 179.01 179.85 1bga h LEU 71 N 0.00 0.00 0.33 1.33 5.85 -1.28 -3.46 115.31 118.08 1bga h LEU 71 Ca -0.00 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 1bga h LEU 71 Cb 0.91 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 1bga h LEU 71 CO 0.05 0.00 -0.11 0.61 -0.34 0.00 0.00 178.44 178.66 1bga n GLY 72 N -0.35 0.69 3.80 3.75 0.00 -0.98 -4.31 105.19 107.79 1bga n GLY 72 Ca -0.00 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.21 3.70 -0.17 -0.61 1.10 -1.24 -4.62 121.20 117.15 1bga s ILE 73 Ca 0.00 0.91 0.10 0.00 -0.51 0.00 0.00 60.65 61.15 1bga s ILE 73 Cb 0.00 -3.38 -0.23 0.00 0.15 0.00 0.00 42.46 39.00 1bga s ILE 73 CO 0.00 -0.37 0.17 0.54 -2.11 0.00 0.00 174.94 173.17 1bga n ARG 74 N -1.63 0.68 -4.18 3.50 1.74 -0.04 -4.80 116.66 111.92 1bga n ARG 74 Ca 0.09 0.13 -0.11 0.00 -0.77 0.00 0.00 57.85 57.19 1bga n ARG 74 Cb 0.52 -1.61 -0.10 0.00 -1.02 0.00 0.00 32.46 30.26 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 -2.53 0.49 -0.10 0.55 -4.23 -0.91 -0.34 115.64 108.58 1bga s THR 75 Ca -0.16 -1.93 -0.02 0.00 -1.18 0.00 0.00 61.69 58.40 1bga s THR 75 Cb 0.07 -1.92 0.03 0.00 1.34 0.00 0.00 72.50 72.02 1bga s THR 75 CO 0.77 -0.63 0.00 -0.47 -0.54 0.00 0.00 174.62 173.75 1bga s TYR 76 N -3.77 0.83 -0.18 3.99 5.04 -0.78 -3.48 117.35 119.00 1bga s TYR 76 Ca 0.19 -0.38 -0.16 0.00 -2.44 0.00 0.00 57.07 54.29 1bga s TYR 76 Cb 0.06 -0.90 -0.04 0.00 0.35 0.00 0.00 41.96 41.44 1bga s TYR 76 CO -0.00 -0.41 0.38 0.50 -1.34 0.00 0.00 175.55 174.68 1bga s ARG 77 N 1.92 4.23 0.07 4.97 3.52 -0.52 -1.17 118.95 131.97 1bga s ARG 77 Ca 0.04 0.21 -0.01 0.00 -0.13 0.00 0.00 55.73 55.84 1bga s ARG 77 Cb -0.13 -3.49 -0.04 0.00 -1.56 0.00 0.00 34.95 29.73 1bga s ARG 77 CO -0.06 0.07 0.00 -0.59 -0.81 0.00 0.00 175.30 173.91 1bga s PHE 78 N 0.97 0.58 0.22 5.12 -0.71 -0.91 -0.96 117.98 122.28 1bga s PHE 78 Ca 0.19 -1.08 0.08 0.00 -1.04 0.00 0.00 56.93 55.08 1bga s PHE 78 Cb -0.14 -0.39 -0.04 0.00 -1.21 0.00 0.00 43.02 41.23 1bga s PHE 78 CO 0.07 -0.42 0.05 -1.54 -1.34 0.00 0.00 175.22 172.04 1bga s SER 79 N -2.95 4.94 -0.17 1.98 1.04 -1.24 -0.68 113.70 116.62 1bga s SER 79 Ca 0.11 -0.41 -0.10 0.00 0.48 0.00 0.00 55.95 56.03 1bga s SER 79 Cb 0.08 -1.09 -0.05 0.00 0.10 0.00 0.00 66.02 65.06 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 -1.99 5.41 -0.69 5.02 1.01 -0.19 -4.07 120.40 124.90 1bga s VAL 80 Ca 0.30 0.25 -0.27 0.00 0.00 0.00 0.00 61.98 62.26 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 1.23 -0.55 0.00 0.00 0.00 175.10 176.46 1bga s SER 81 N 0.03 6.23 0.16 3.32 0.15 -1.26 -4.68 113.70 117.64 1bga s SER 81 Ca 0.11 -0.36 -0.25 0.00 0.70 0.00 0.00 55.95 56.15 1bga s SER 81 Cb -0.12 -2.55 0.02 0.00 -1.71 0.00 0.00 66.02 61.67 1bga s SER 81 CO 0.00 -1.72 1.59 -0.25 1.20 0.00 0.00 173.24 174.06 1bga h TRP 82 N 9.87 -1.08 0.00 3.44 2.91 -1.85 -0.24 115.95 129.00 1bga h TRP 82 Ca -0.27 0.06 0.00 0.00 1.13 0.00 0.00 58.89 59.81 1bga h TRP 82 Cb 1.05 0.52 0.00 0.00 -0.51 0.00 0.00 29.16 30.23 1bga h TRP 82 CO 1.09 -0.42 0.00 -0.35 -1.03 0.00 0.00 178.44 177.73 1bga n PRO 83 N -5.42 0.11 -0.05 2.65 -0.04 -1.26 0.02 135.00 131.01 1bga n PRO 83 Ca -0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.38 1bga n PRO 83 Cb 0.35 -1.45 -0.14 0.00 -0.04 0.00 0.00 33.50 32.21 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 -0.95 0.66 -0.05 0.54 1.74 -0.12 -0.20 116.66 118.29 1bga n ARG 84 Ca 0.02 0.12 -0.21 0.00 -0.77 0.00 0.00 57.85 57.01 1bga n ARG 84 Cb 0.01 -1.65 -0.13 0.00 -1.02 0.00 0.00 32.46 29.67 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 0.90 -2.73 0.55 1.08 -0.27 -3.31 117.51 113.73 1bga h ILE 85 Ca -0.38 -2.28 -0.60 0.00 -0.39 0.00 0.00 64.86 61.21 1bga h ILE 85 Cb 2.02 2.46 -0.40 0.00 -3.07 0.00 0.00 36.82 37.83 1bga h ILE 85 CO 0.05 0.57 -0.79 -0.36 -0.69 0.00 0.00 178.15 176.92 1bga s PHE 86 N -2.44 2.04 0.44 1.37 0.08 0.21 -0.40 117.98 119.27 1bga s PHE 86 Ca -0.25 -2.63 0.27 0.00 0.12 0.00 0.00 56.93 54.44 1bga s PHE 86 Cb 0.05 -1.68 1.32 0.00 -0.57 0.00 0.00 43.02 42.15 1bga s PHE 86 CO 0.68 -0.73 1.70 -1.35 -0.10 0.00 0.00 175.22 175.42 1bga h PRO 87 N 5.85 0.19 0.00 0.24 0.11 -1.74 0.64 132.00 137.29 1bga h PRO 87 Ca 0.16 -0.01 -0.23 0.00 0.11 0.00 0.00 66.00 66.03 1bga h PRO 87 Cb 0.87 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.90 1bga h PRO 87 CO 0.50 0.12 -1.50 -0.97 -0.21 0.00 0.00 178.00 175.94 1bga h ASN 88 N 0.19 0.00 0.00 -2.05 -1.24 -1.90 -3.39 115.58 107.19 1bga h ASN 88 Ca 0.71 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.72 1bga h ASN 88 Cb 2.17 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.22 1bga h ASN 88 CO -0.32 0.80 0.00 0.61 -1.29 0.00 0.00 177.43 177.23 1bga n GLY 89 N 1.46 2.92 0.02 1.57 0.00 0.22 -4.18 105.19 107.20 1bga n GLY 89 Ca -0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 46.02 45.63 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 0.26 3.90 -1.99 1.61 8.00 -1.26 -4.81 116.55 122.25 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 0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 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 2.94 -2.99 3.89 0.44 0.00 -1.26 -4.99 105.19 103.22 1bga n GLY 91 Ca -0.07 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 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 3.66 0.34 1.61 1.03 -1.26 -5.04 118.70 119.04 1bga s GLU 92 Ca 0.00 0.32 -0.28 0.00 0.03 0.00 0.00 54.97 55.04 1bga s GLU 92 Cb 0.00 -2.40 -0.10 0.00 -0.80 0.00 0.00 34.13 30.83 1bga s GLU 92 CO 0.00 -0.10 1.28 0.08 -1.33 0.00 0.00 175.26 175.19 1bga s VAL 93 N -2.52 2.81 -0.52 1.83 1.01 -1.26 -4.66 120.40 117.09 1bga s VAL 93 Ca 0.49 0.80 -0.17 0.00 0.00 0.00 0.00 61.98 63.10 1bga s VAL 93 Cb -0.10 -3.50 0.10 0.00 0.00 0.00 0.00 36.38 32.87 1bga s VAL 93 CO 0.37 0.17 0.52 0.21 0.00 0.00 0.00 175.10 176.38 1bga s ASN 94 N -0.60 6.18 0.54 3.32 3.84 0.46 -4.93 114.94 123.76 1bga s ASN 94 Ca 0.50 -1.45 0.23 0.00 0.21 0.00 0.00 52.86 52.36 1bga s ASN 94 Cb -0.38 -2.23 1.50 0.00 -0.55 0.00 0.00 41.25 39.59 1bga s ASN 94 CO 0.50 -0.84 2.17 -0.61 -2.79 0.00 0.00 177.10 175.53 1bga h GLN 95 N 8.91 0.00 -0.64 0.43 5.75 -1.88 -1.97 115.11 125.71 1bga h GLN 95 Ca -0.29 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.16 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 0.99 0.04 0.20 1.49 -2.65 0.00 0.00 178.83 178.89 1bga h GLU 96 N 0.00 0.99 -0.03 1.69 4.57 -1.89 -0.15 114.58 119.77 1bga h GLU 96 Ca -0.00 -0.21 -0.00 0.00 -1.18 0.00 0.00 59.36 57.97 1bga h GLU 96 Cb 0.08 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.53 1bga h GLU 96 CO 0.00 0.87 0.01 0.78 -1.18 0.00 0.00 179.01 179.50 1bga h GLY 97 N 0.92 0.04 0.91 1.92 0.00 -1.45 -2.32 103.07 103.10 1bga h GLY 97 Ca 0.21 -0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.55 1bga h GLY 97 CO -0.01 0.02 0.64 1.41 0.00 0.00 0.00 176.54 178.60 1bga h LEU 98 N -0.03 1.08 -0.81 3.11 3.38 -1.30 -2.45 115.31 118.28 1bga h LEU 98 Ca 0.01 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1bga h LEU 98 Cb 0.07 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 1bga h LEU 98 CO -0.00 0.75 0.52 0.44 0.09 0.00 0.00 178.44 180.24 1bga h ASP 99 N 1.26 0.86 -0.02 -0.43 3.32 -0.74 -1.03 116.42 119.64 1bga h ASP 99 Ca 0.38 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.45 1bga h ASP 99 Cb -0.04 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.28 1bga h ASP 99 CO -0.11 0.60 -0.17 0.22 -1.72 0.00 0.00 179.24 178.06 1bga h TYR 100 N 1.02 -0.43 0.00 4.55 3.20 -0.93 -0.01 116.97 124.37 1bga h TYR 100 Ca 0.32 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.18 1bga h TYR 100 Cb -0.00 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.46 1bga h TYR 100 CO -0.03 -0.24 -0.11 1.88 -1.64 0.00 0.00 178.16 178.02 1bga h TYR 101 N -0.26 0.00 -0.17 -3.82 0.05 -1.40 -1.02 116.97 110.35 1bga h TYR 101 Ca 0.06 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.65 1bga h TYR 101 Cb 0.34 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.08 1bga h TYR 101 CO -0.23 0.11 -0.66 0.45 -1.05 0.00 0.00 178.16 176.79 1bga h HIS 102 N 0.00 0.83 -0.34 4.88 3.86 0.18 -0.22 115.15 124.35 1bga h HIS 102 Ca -0.00 -0.33 -0.03 0.00 -1.16 0.00 0.00 60.37 58.85 1bga h HIS 102 Cb 0.33 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 1bga h HIS 102 CO 0.00 1.12 0.10 0.00 0.86 0.00 0.00 177.93 180.01 1bga h ARG 103 N 0.46 0.53 0.67 2.45 3.08 0.16 -0.55 114.38 121.18 1bga h ARG 103 Ca -0.02 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 1bga h ARG 103 Cb 1.24 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 31.22 1bga h ARG 103 CO 0.13 0.56 -0.32 0.28 -1.07 0.00 0.00 179.97 179.54 1bga h VAL 104 N 0.39 0.25 -0.65 2.04 2.07 -1.19 -2.27 116.25 116.89 1bga h VAL 104 Ca 0.11 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.48 1bga h VAL 104 Cb 0.26 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 1bga h VAL 104 CO -0.00 0.02 0.37 0.58 0.02 0.00 0.00 177.57 178.56 1bga h VAL 105 N -1.06 0.99 -0.65 2.57 2.07 -1.05 -0.22 116.25 118.90 1bga h VAL 105 Ca -0.09 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1bga h VAL 105 Cb 0.73 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1bga h VAL 105 CO 0.15 0.13 0.35 0.44 0.02 0.00 0.00 177.57 178.65 1bga h ASP 106 N 0.69 0.82 -0.37 0.57 3.32 -1.13 0.45 116.42 120.78 1bga h ASP 106 Ca 0.29 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1bga h ASP 106 Cb 0.15 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1bga h ASP 106 CO -0.16 0.69 0.18 0.25 -1.72 0.00 0.00 179.24 178.48 1bga h LEU 107 N 0.89 0.48 0.12 1.55 5.85 -0.79 0.25 115.31 123.67 1bga h LEU 107 Ca 0.23 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1bga h LEU 107 Cb 0.06 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1bga h LEU 107 CO -0.03 0.47 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.32 1bga h LEU 108 N 0.46 -0.39 -0.93 2.25 3.38 -0.63 -1.02 115.31 118.43 1bga h LEU 108 Ca 0.13 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.19 1bga h LEU 108 Cb 0.11 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 1bga h LEU 108 CO -0.02 -0.22 0.60 0.78 0.09 0.00 0.00 178.44 179.67 1bga h ASN 109 N -0.31 0.98 -0.07 -0.43 2.35 -0.65 0.13 115.58 117.58 1bga h ASN 109 Ca 0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1bga h ASN 109 Cb 0.31 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1bga h ASN 109 CO -0.05 0.65 0.03 0.44 -1.65 0.00 0.00 177.43 176.84 1bga h ASP 110 N 1.13 0.13 -0.50 5.81 3.32 0.08 -1.59 116.42 124.80 1bga h ASP 110 Ca 0.39 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1bga h ASP 110 Cb 0.08 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1bga h ASP 110 CO -0.14 0.14 0.00 0.59 -1.72 0.00 0.00 179.24 178.10 1bga n ASN 111 N -4.47 3.32 -1.19 6.45 3.02 0.38 -4.93 115.26 117.84 1bga n ASN 111 Ca -0.01 -2.20 -0.15 0.00 -0.03 0.00 0.00 54.58 52.19 1bga n ASN 111 Cb 0.12 -0.44 -0.05 0.00 -0.61 0.00 0.00 39.78 38.79 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 1.07 1.26 3.52 7.41 0.00 -0.60 -4.99 105.19 112.87 1bga n GLY 112 Ca 0.18 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.56 4.56 -0.20 -0.61 1.01 -0.66 -4.88 121.20 117.86 1bga s ILE 113 Ca 0.00 -0.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.26 1bga s ILE 113 Cb 0.00 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.36 1bga s ILE 113 CO 0.00 0.37 1.09 -1.61 0.00 0.00 0.00 174.94 174.79 1bga s GLU 114 N 1.23 4.27 0.32 2.79 2.02 0.54 -3.64 118.70 126.23 1bga s GLU 114 Ca 0.05 1.43 -0.29 0.00 0.02 0.00 0.00 54.97 56.18 1bga s GLU 114 Cb -0.14 -3.66 -0.10 0.00 0.10 0.00 0.00 34.13 30.33 1bga s GLU 114 CO 0.04 -0.62 1.30 -2.14 0.02 0.00 0.00 175.26 173.86 1bga s PRO 115 N 3.15 4.37 -0.37 0.39 0.02 -1.26 -1.87 135.00 139.42 1bga s PRO 115 Ca 0.47 2.19 0.02 0.00 0.02 0.00 0.00 61.00 63.70 1bga s PRO 115 Cb -0.17 -3.08 0.11 0.00 0.02 0.00 0.00 34.50 31.38 1bga s PRO 115 CO 0.09 -0.17 0.13 0.12 -0.33 0.00 0.00 177.00 176.84 1bga s PHE 116 N -1.10 2.75 -0.18 6.54 2.19 -0.32 -3.96 117.98 123.91 1bga s PHE 116 Ca 0.49 -2.54 -0.24 0.00 0.33 0.00 0.00 56.93 54.96 1bga s PHE 116 Cb -0.39 -2.36 -0.02 0.00 -1.31 0.00 0.00 43.02 38.94 1bga s PHE 116 CO 0.52 -0.87 0.80 0.00 1.83 0.00 0.00 175.22 177.49 1bga s THR 118 N 2.18 4.61 0.08 0.00 2.01 0.15 -0.49 115.64 124.18 1bga s THR 118 Ca 0.36 -0.94 -0.21 0.00 0.31 0.00 0.00 61.69 61.21 1bga s THR 118 Cb -0.16 -3.62 -0.11 0.00 0.01 0.00 0.00 72.50 68.61 1bga s THR 118 CO 0.11 -0.30 1.60 -0.07 -0.69 0.00 0.00 174.62 175.27 1bga h LEU 119 N 8.47 0.21 -7.97 4.42 3.38 -1.36 -0.49 115.31 121.97 1bga h LEU 119 Ca -0.25 -0.19 -0.67 0.00 0.09 0.00 0.00 57.88 56.86 1bga h LEU 119 Cb 1.10 -0.06 -0.36 0.00 0.09 0.00 0.00 40.66 41.44 1bga h LEU 119 CO 0.70 0.34 -0.82 -0.47 0.09 0.00 0.00 178.44 178.28 1bga s TYR 120 N -5.45 3.07 -0.45 1.13 5.04 -0.45 -4.04 117.35 116.20 1bga s TYR 120 Ca -0.14 -2.00 0.09 0.00 -2.44 0.00 0.00 57.07 52.58 1bga s TYR 120 Cb 0.06 -1.94 0.38 0.00 0.35 0.00 0.00 41.96 40.82 1bga s TYR 120 CO 0.70 -0.84 0.93 1.58 -1.34 0.00 0.00 175.55 176.58 1bga n HIS 121 N 4.53 2.45 0.00 4.97 -0.00 -1.26 -2.06 115.22 123.84 1bga n HIS 121 Ca -0.17 -3.54 0.00 0.00 0.46 0.00 0.00 57.72 54.47 1bga n HIS 121 Cb 0.45 -0.36 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 -0.14 0.00 -2.02 1.57 8.01 -1.26 -4.85 117.44 118.75 1bga n TRP 122 Ca 0.28 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 56.05 1bga n TRP 122 Cb 0.59 -0.01 -0.00 0.00 -2.01 0.00 0.00 31.31 29.88 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 6.12 -4.72 -0.99 5.68 -1.26 -4.68 116.55 116.70 1bga n ASP 123 Ca 0.00 -3.01 -0.42 0.00 -0.50 0.00 0.00 54.79 50.86 1bga n ASP 123 Cb 0.00 -1.49 -0.03 0.00 -1.14 0.00 0.00 41.12 38.46 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 -0.26 4.38 0.23 -2.12 2.96 -1.26 -4.28 118.68 118.33 1bga s LEU 124 Ca 0.48 2.37 -0.32 0.00 -0.22 0.00 0.00 54.13 56.45 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 -0.04 -0.66 1.56 -2.65 -1.32 0.00 0.00 176.35 173.24 1bga n PRO 125 N 3.75 2.41 -0.30 0.98 -0.02 -1.26 -0.16 135.00 140.39 1bga n PRO 125 Ca 0.11 0.86 0.12 0.00 -2.02 0.00 0.00 63.50 62.57 1bga n PRO 125 Cb 0.42 -2.62 0.35 0.00 -0.02 0.00 0.00 33.50 31.63 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 5.22 0.73 -0.71 -0.52 5.75 -1.01 -2.27 115.11 122.29 1bga h GLN 126 Ca -0.45 -0.04 0.12 0.00 -0.15 0.00 0.00 58.65 58.13 1bga h GLN 126 Cb 1.24 -0.16 -0.09 0.00 1.07 0.00 0.00 27.48 29.54 1bga h GLN 126 CO 0.83 0.48 0.29 0.00 -2.65 0.00 0.00 178.83 177.78 1bga h ALA 127 N 1.59 0.97 -0.22 3.38 0.00 -1.80 0.11 119.26 123.29 1bga h ALA 127 Ca 0.49 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.38 1bga h ALA 127 Cb 0.75 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1bga h ALA 127 CO -0.25 -0.18 -0.36 -0.07 0.00 0.00 0.00 179.25 178.39 1bga h LEU 128 N 0.46 0.51 -1.08 0.00 3.38 -1.58 -2.25 115.31 114.75 1bga h LEU 128 Ca 0.38 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 1bga h LEU 128 Cb 0.52 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1bga h LEU 128 CO -0.36 0.83 -0.25 -0.61 0.09 0.00 0.00 178.44 178.14 1bga h GLN 129 N 0.41 0.34 -0.72 1.13 5.75 -0.88 0.60 115.11 121.74 1bga h GLN 129 Ca 0.04 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 58.41 1bga h GLN 129 Cb 0.82 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.31 1bga h GLN 129 CO 0.07 0.58 0.40 -0.44 -2.65 0.00 0.00 178.83 176.78 1bga h ASP 130 N 0.31 0.89 -0.06 -0.69 3.32 -0.28 -0.52 116.42 119.39 1bga h ASP 130 Ca 0.05 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1bga h ASP 130 Cb 0.61 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1bga h ASP 130 CO 0.04 0.71 0.00 0.00 -1.72 0.00 0.00 179.24 178.28 1bga n ALA 131 N -2.43 2.57 0.00 3.45 0.00 -0.60 -4.83 120.51 118.66 1bga n ALA 131 Ca 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1bga n ALA 131 Cb 0.09 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 0.85 1.64 7.00 0.00 0.00 -0.21 -4.76 105.19 109.72 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 -0.17 2.67 0.00 -0.02 0.00 0.20 -2.10 105.19 105.78 1bga n GLY 133 Ca 0.00 -0.41 0.04 0.00 0.00 0.00 0.00 46.02 45.65 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 12.22 0.00 0.54 1.61 7.02 -1.26 -1.22 117.44 136.34 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 -0.47 0.40 0.00 -2.42 0.00 0.00 31.31 28.82 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 1.58 0.00 -6.82 6.99 0.00 -1.73 -3.36 103.07 99.73 1bga h GLY 135 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.68 1bga h GLY 135 CO 0.00 0.00 -0.65 0.21 0.00 0.00 0.00 176.54 176.10 1bga s ASN 136 N -4.72 4.93 0.29 0.19 3.84 -0.36 -4.93 114.94 114.19 1bga s ASN 136 Ca 0.09 -0.20 0.18 0.00 0.21 0.00 0.00 52.86 53.14 1bga s ASN 136 Cb 0.11 -1.86 1.00 0.00 -0.55 0.00 0.00 41.25 39.95 1bga s ASN 136 CO 0.57 0.03 1.55 0.54 -2.79 0.00 0.00 177.10 177.00 1bga n ARG 137 N 4.49 0.12 0.20 0.43 1.74 -1.26 -1.05 116.66 121.33 1bga n ARG 137 Ca -0.17 0.61 0.05 0.00 -0.77 0.00 0.00 57.85 57.57 1bga n ARG 137 Cb 0.52 -1.94 0.43 0.00 -1.02 0.00 0.00 32.46 30.44 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 -0.15 5.56 2.43 -1.94 -1.59 114.38 118.68 1bga h ARG 138 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1bga h ARG 138 Cb 0.09 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1bga h ARG 138 CO 0.00 0.31 -0.13 1.15 -1.51 0.00 0.00 179.97 179.79 1bga h THR 139 N 0.00 1.18 -0.84 0.20 2.02 -1.32 -1.56 112.91 112.58 1bga h THR 139 Ca -0.00 -0.78 0.05 0.00 0.77 0.00 0.00 66.41 66.45 1bga h THR 139 Cb 0.58 1.20 -0.06 0.00 -1.74 0.00 0.00 68.15 68.14 1bga h THR 139 CO 0.04 0.24 0.53 0.40 0.37 0.00 0.00 175.52 177.10 1bga h ILE 140 N 0.23 1.07 -0.28 3.11 2.04 -1.43 0.10 117.51 122.36 1bga h ILE 140 Ca 0.05 -0.34 -0.18 0.00 1.00 0.00 0.00 64.86 65.39 1bga h ILE 140 Cb 0.37 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1bga h ILE 140 CO 0.02 0.18 -0.52 1.56 0.00 0.00 0.00 178.15 179.39 1bga h GLN 141 N 0.98 0.84 -0.69 2.37 4.20 -1.35 -1.91 115.11 119.55 1bga h GLN 141 Ca 0.36 -0.54 0.04 0.00 0.06 0.00 0.00 58.65 58.57 1bga h GLN 141 Cb 0.12 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.92 1bga h GLN 141 CO -0.16 1.17 0.42 0.00 -0.67 0.00 0.00 178.83 179.59 1bga h ALA 142 N 0.67 0.91 -0.33 3.87 0.00 -0.56 -1.92 119.26 121.91 1bga h ALA 142 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1bga h ALA 142 Cb 1.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1bga h ALA 142 CO 0.12 0.17 0.11 0.35 0.00 0.00 0.00 179.25 180.00 1bga h PHE 143 N 0.81 0.52 -0.68 0.00 3.57 -0.62 -1.84 116.94 118.70 1bga h PHE 143 Ca 0.29 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.76 1bga h PHE 143 Cb 0.07 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 1bga h PHE 143 CO -0.05 0.51 0.45 0.28 -2.23 0.00 0.00 178.31 177.27 1bga h VAL 144 N 0.37 1.13 -0.26 1.41 2.07 -1.02 0.18 116.25 120.14 1bga h VAL 144 Ca 0.11 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1bga h VAL 144 Cb 0.23 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 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 0.86 0.38 -0.08 1.57 4.15 -1.00 -0.18 115.11 120.81 1bga h GLN 145 Ca 0.26 -0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.64 1bga h GLN 145 Cb -0.01 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.58 1bga h GLN 145 CO -0.07 0.42 -0.13 0.35 -1.93 0.00 0.00 178.83 177.48 1bga h PHE 146 N 0.27 -0.32 -0.18 3.99 3.57 -0.45 -0.74 116.94 123.07 1bga h PHE 146 Ca 0.09 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.63 1bga h PHE 146 Cb 0.18 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 1bga h PHE 146 CO -0.01 -0.19 -0.01 0.00 -2.23 0.00 0.00 178.31 175.87 1bga h ALA 147 N 0.86 0.15 -0.36 2.41 0.00 -0.47 -2.30 119.26 119.55 1bga h ALA 147 Ca 0.07 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1bga h ALA 147 Cb 0.28 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1bga h ALA 147 CO -0.18 -0.45 0.16 0.93 0.00 0.00 0.00 179.25 179.71 1bga h GLU 148 N 0.04 0.32 -0.48 0.00 5.08 -0.80 0.11 114.58 118.85 1bga h GLU 148 Ca 0.09 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.51 1bga h GLU 148 Cb 0.11 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.22 1bga h GLU 148 CO -0.16 0.21 0.05 1.15 -1.00 0.00 0.00 179.01 179.27 1bga h THR 149 N 0.33 0.68 -0.35 1.13 2.02 -0.84 0.11 112.91 115.99 1bga h THR 149 Ca 0.15 -0.06 -0.07 0.00 0.77 0.00 0.00 66.41 67.21 1bga h THR 149 Cb 0.09 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1bga h THR 149 CO -0.13 0.03 -0.05 0.24 0.37 0.00 0.00 175.52 175.99 1bga h MET 150 N 0.17 0.65 -0.70 6.66 2.86 -0.96 0.15 114.93 123.76 1bga h MET 150 Ca 0.24 -0.23 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1bga h MET 150 Cb 0.34 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 1bga h MET 150 CO -0.35 0.79 0.44 0.74 1.06 0.00 0.00 176.91 179.59 1bga h PHE 151 N 0.45 0.83 0.01 -0.22 0.04 -0.38 0.10 116.94 117.77 1bga h PHE 151 Ca 0.09 0.02 -0.19 0.00 2.80 0.00 0.00 57.97 60.70 1bga h PHE 151 Cb 0.53 -0.27 0.02 0.00 2.20 0.00 0.00 35.95 38.43 1bga h PHE 151 CO 0.05 0.48 -0.73 0.00 -0.60 0.00 0.00 178.31 177.50 1bga h ARG 152 N 0.87 0.48 -0.61 1.51 3.08 -0.90 -2.61 114.38 116.19 1bga h ARG 152 Ca 0.28 -0.53 -0.04 0.00 0.07 0.00 0.00 59.98 59.76 1bga h ARG 152 Cb 0.00 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1bga h ARG 152 CO -0.10 1.17 0.22 0.93 -1.07 0.00 0.00 179.97 181.12 1bga h GLU 153 N 0.01 0.94 -0.46 0.04 4.39 -0.48 -3.21 114.58 115.80 1bga h GLU 153 Ca -0.09 -0.19 -0.12 0.00 0.34 0.00 0.00 59.36 59.30 1bga h GLU 153 Cb 1.44 -0.14 -0.07 0.00 -0.10 0.00 0.00 28.75 29.87 1bga h GLU 153 CO 0.14 0.81 0.08 1.19 -1.16 0.00 0.00 179.01 180.08 1bga n PHE 154 N -4.42 1.55 0.00 4.33 3.01 0.34 -4.92 117.46 117.35 1bga n PHE 154 Ca 0.04 -1.16 0.00 0.00 1.01 0.00 0.00 57.45 57.34 1bga n PHE 154 Cb 0.19 -0.49 0.00 0.00 -0.01 0.00 0.00 39.48 39.16 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 -0.50 0.00 1.36 1.38 -0.00 -0.98 -1.08 115.22 115.39 1bga n HIS 155 Ca 0.31 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.49 1bga n HIS 155 Cb 1.11 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.98 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 -0.28 0.37 0.09 1.57 0.00 -1.26 -3.54 105.19 102.14 1bga n GLY 156 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.20 0.68 -5.14 1.61 5.02 -0.24 -4.93 118.16 114.96 1bga n LYS 157 Ca 0.00 0.01 -0.32 0.00 -2.02 0.00 0.00 58.31 55.98 1bga n LYS 157 Cb 0.13 -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 -2.55 2.43 0.00 -0.18 1.01 -1.09 -4.71 121.20 116.11 1bga s ILE 158 Ca -0.09 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.61 1bga s ILE 158 Cb 0.07 -1.90 0.00 0.00 0.01 0.00 0.00 42.46 40.64 1bga s ILE 158 CO 0.83 0.58 0.44 0.00 0.00 0.00 0.00 174.94 176.79 1bga n GLN 159 N 2.62 -0.22 -3.96 2.79 1.13 -1.26 -4.45 117.38 114.04 1bga n GLN 159 Ca -0.17 -0.44 -0.19 0.00 -1.94 0.00 0.00 57.00 54.26 1bga n GLN 159 Cb 0.52 -0.94 -0.17 0.00 0.11 0.00 0.00 30.24 29.76 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 0.49 0.04 1.08 3.76 -1.25 -1.14 115.29 118.17 1bga s HIS 160 Ca 0.00 -0.08 0.03 0.00 -0.15 0.00 0.00 55.06 54.87 1bga s HIS 160 Cb 0.00 -0.55 -0.02 0.00 1.11 0.00 0.00 32.58 33.11 1bga s HIS 160 CO 0.00 -0.18 -0.10 -1.58 -0.85 0.00 0.00 174.74 172.03 1bga s TRP 161 N 1.21 0.82 -0.02 1.40 0.52 -0.28 -0.93 118.94 121.67 1bga s TRP 161 Ca -0.07 -0.44 0.03 0.00 0.02 0.00 0.00 56.10 55.64 1bga s TRP 161 Cb -0.13 -0.49 -0.00 0.00 -1.15 0.00 0.00 33.47 31.70 1bga s TRP 161 CO -0.02 -0.03 -0.10 -0.51 0.02 0.00 0.00 176.95 176.30 1bga s LEU 162 N -1.43 1.88 -0.05 2.99 1.43 0.36 -1.30 118.68 122.56 1bga s LEU 162 Ca -0.06 -0.20 -0.03 0.00 -1.03 0.00 0.00 54.13 52.81 1bga s LEU 162 Cb -0.09 -0.58 -0.02 0.00 0.03 0.00 0.00 46.19 45.53 1bga s LEU 162 CO 0.01 0.10 0.19 0.71 0.23 0.00 0.00 176.35 177.58 1bga h THR 163 N 5.19 0.00 -3.96 5.49 1.35 -1.35 -1.47 112.91 118.16 1bga h THR 163 Ca -0.33 -0.51 -0.67 0.00 -0.55 0.00 0.00 66.41 64.35 1bga h THR 163 Cb 1.17 0.00 -0.23 0.00 -1.73 0.00 0.00 68.15 67.37 1bga h THR 163 CO 0.49 0.00 -0.86 -0.36 -0.25 0.00 0.00 175.52 174.53 1bga s PHE 164 N -1.81 2.22 -0.22 4.73 0.40 -1.26 -1.34 117.98 120.71 1bga s PHE 164 Ca -0.02 -0.39 -0.01 0.00 -0.60 0.00 0.00 56.93 55.92 1bga s PHE 164 Cb 0.00 -1.22 0.02 0.00 0.51 0.00 0.00 43.02 42.33 1bga s PHE 164 CO 0.05 0.29 -0.11 1.21 0.70 0.00 0.00 175.22 177.36 1bga s ASN 165 N -1.93 3.85 -0.78 1.36 3.84 -0.88 -1.58 114.94 118.81 1bga s ASN 165 Ca 0.12 -0.70 -0.02 0.00 0.21 0.00 0.00 52.86 52.47 1bga s ASN 165 Cb -0.10 -1.60 -0.03 0.00 -0.55 0.00 0.00 41.25 38.97 1bga s ASN 165 CO 0.05 -0.06 0.71 -0.62 -2.79 0.00 0.00 177.10 174.40 1bga n GLU 166 N 4.67 -1.55 -0.08 0.43 1.02 0.52 -4.79 120.64 120.86 1bga n GLU 166 Ca -0.19 1.12 0.16 0.00 -0.02 0.00 0.00 57.16 58.23 1bga n GLU 166 Cb 0.49 -5.35 0.56 0.00 -0.02 0.00 0.00 31.44 27.12 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 -0.20 0.27 -0.41 3.49 0.11 -1.87 -0.76 132.00 132.63 1bga h PRO 167 Ca -0.24 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 1bga h PRO 167 Cb 1.12 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1bga h PRO 167 CO 0.32 0.18 0.22 2.35 -0.21 0.00 0.00 178.00 180.86 1bga h TRP 168 N 0.28 0.56 -0.40 0.65 7.01 -1.88 0.10 115.95 122.27 1bga h TRP 168 Ca 0.30 -0.02 -0.12 0.00 2.11 0.00 0.00 58.89 61.17 1bga h TRP 168 Cb 0.80 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.67 1bga h TRP 168 CO -0.00 0.44 -0.22 0.00 -2.79 0.00 0.00 178.44 175.87 1bga h ILE 170 N 0.66 1.11 0.00 0.00 2.04 -1.14 -1.10 117.51 119.08 1bga h ILE 170 Ca 0.09 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1bga h ILE 170 Cb 0.78 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1bga h ILE 170 CO 0.06 0.15 -0.27 0.00 0.00 0.00 0.00 178.15 178.08 1bga h ALA 171 N 1.26 0.00 0.15 1.87 0.00 -0.91 -3.38 119.26 118.25 1bga h ALA 171 Ca 0.25 -0.35 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 1bga h ALA 171 Cb -0.02 0.27 0.02 0.00 0.00 0.00 0.00 17.79 18.07 1bga h ALA 171 CO -0.09 0.27 -0.91 0.74 0.00 0.00 0.00 179.25 179.27 1bga h PHE 172 N -0.66 0.63 -0.47 0.00 0.04 -0.99 -1.19 116.94 114.29 1bga h PHE 172 Ca 0.00 -0.45 -0.11 0.00 2.80 0.00 0.00 57.97 60.21 1bga h PHE 172 Cb 0.27 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 1bga h PHE 172 CO -0.12 1.34 -0.14 1.25 -0.60 0.00 0.00 178.31 180.05 1bga h LEU 173 N -0.27 0.89 0.20 1.54 5.85 -1.40 0.67 115.31 122.80 1bga h LEU 173 Ca -0.16 -0.29 -0.32 0.00 0.84 0.00 0.00 57.88 57.95 1bga h LEU 173 Cb 1.71 -0.24 0.04 0.00 0.37 0.00 0.00 40.66 42.53 1bga h LEU 173 CO 0.17 1.03 -1.39 0.28 -0.34 0.00 0.00 178.44 178.19 1bga h SER 174 N 0.79 0.87 0.00 1.25 0.02 -1.32 -1.07 113.55 114.09 1bga h SER 174 Ca 0.12 -0.88 0.00 0.00 -0.84 0.00 0.00 61.79 60.19 1bga h SER 174 Cb 0.67 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1bga h SER 174 CO 0.05 1.68 -1.19 0.59 -1.14 0.00 0.00 176.83 176.82 1bga n ASN 175 N -3.75 1.15 -0.09 3.07 3.02 -0.45 -0.58 115.26 117.62 1bga n ASN 175 Ca -0.16 -0.41 -0.18 0.00 -0.03 0.00 0.00 54.58 53.80 1bga n ASN 175 Cb 1.06 1.34 -0.07 0.00 -0.61 0.00 0.00 39.78 41.50 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 -1.68 0.41 0.08 3.52 1.56 0.09 0.36 117.12 121.46 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 0.31 -1.23 0.06 0.00 2.15 0.00 0.00 33.22 34.51 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 -3.60 0.75 -1.10 -0.89 4.77 -0.39 -4.11 117.00 112.43 1bga n LEU 177 Ca -0.36 0.24 -0.14 0.00 -0.03 0.00 0.00 56.01 55.72 1bga n LEU 177 Cb 0.79 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.71 1bga n LEU 177 CO 0.07 -0.10 -0.14 0.61 -1.33 0.00 0.00 177.39 176.50 1bga n GLY 178 N 1.26 1.46 0.07 -0.72 0.00 -0.26 -4.88 105.19 102.12 1bga n GLY 178 Ca 0.01 -0.23 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 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 1.61 -2.20 1.61 2.07 -1.47 -3.41 116.25 114.46 1bga h VAL 179 Ca -0.30 -3.32 -0.59 0.00 0.82 0.00 0.00 66.70 63.31 1bga h VAL 179 Cb 1.02 2.81 -0.12 0.00 -1.52 0.00 0.00 31.29 33.48 1bga h VAL 179 CO 0.43 0.92 -0.72 -1.00 0.02 0.00 0.00 177.57 177.22 1bga s HIS 180 N -2.69 2.44 0.45 1.57 3.76 -1.21 -4.76 115.29 114.84 1bga s HIS 180 Ca -0.00 -0.29 -0.25 0.00 -0.15 0.00 0.00 55.06 54.37 1bga s HIS 180 Cb 0.10 -1.07 -0.09 0.00 1.11 0.00 0.00 32.58 32.63 1bga s HIS 180 CO 0.82 0.68 1.32 0.00 -0.85 0.00 0.00 174.74 176.72 1bga n ALA 181 N -0.72 1.53 1.77 -1.40 0.00 -1.26 0.47 120.51 120.90 1bga n ALA 181 Ca -0.05 0.24 0.07 0.00 0.00 0.00 0.00 53.44 53.69 1bga n ALA 181 Cb 0.60 -2.31 0.43 0.00 0.00 0.00 0.00 19.45 18.17 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 -0.17 0.89 -2.13 0.00 -0.04 -1.26 -4.74 135.00 127.55 1bga n PRO 182 Ca 0.07 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.47 1bga n PRO 182 Cb 0.41 -1.26 -0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.58 0.16 3.93 0.55 0.00 0.18 -5.03 105.19 105.55 1bga n GLY 183 Ca 0.11 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.60 3.27 -0.41 0.99 1.43 0.25 -4.56 118.68 118.06 1bga s LEU 184 Ca 0.00 0.57 0.09 0.00 -1.03 0.00 0.00 54.13 53.76 1bga s LEU 184 Cb -0.00 -3.39 0.28 0.00 0.03 0.00 0.00 46.19 43.11 1bga s LEU 184 CO 0.01 -1.06 0.60 0.35 0.23 0.00 0.00 176.35 176.48 1bga n THR 185 N -2.51 -0.23 -3.67 5.49 -2.24 -0.87 -1.10 114.28 109.16 1bga n THR 185 Ca 0.04 -4.29 -0.17 0.00 -2.27 0.00 0.00 64.05 57.37 1bga n THR 185 Cb 0.58 -1.55 -0.16 0.00 -2.10 0.00 0.00 70.33 67.10 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 -1.65 0.75 0.12 3.42 3.84 0.16 -4.90 114.94 116.69 1bga s ASN 186 Ca 0.37 0.33 -0.26 0.00 0.21 0.00 0.00 52.86 53.51 1bga s ASN 186 Cb 0.21 0.27 -0.05 0.00 -0.55 0.00 0.00 41.25 41.14 1bga s ASN 186 CO -0.10 -0.24 1.63 0.25 -2.79 0.00 0.00 177.10 175.85 1bga h LEU 187 N 8.36 -0.78 -0.83 3.21 6.46 -1.89 -0.77 115.31 129.07 1bga h LEU 187 Ca -0.13 0.11 0.05 0.00 -0.12 0.00 0.00 57.88 57.79 1bga h LEU 187 Cb 1.12 0.32 -0.06 0.00 -0.73 0.00 0.00 40.66 41.31 1bga h LEU 187 CO 0.14 -0.33 0.51 -0.61 -0.62 0.00 0.00 178.44 177.54 1bga h GLN 188 N -0.39 0.93 -0.74 1.25 5.75 -1.94 -0.38 115.11 119.58 1bga h GLN 188 Ca 0.07 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.49 1bga h GLN 188 Cb 0.49 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.79 1bga h GLN 188 CO -0.24 0.61 0.40 1.15 -2.65 0.00 0.00 178.83 178.10 1bga h THR 189 N 0.95 1.23 -0.63 2.39 2.02 -1.78 0.17 112.91 117.26 1bga h THR 189 Ca 0.35 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 1bga h THR 189 Cb 0.13 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 1bga h THR 189 CO -0.16 0.25 0.27 0.00 0.37 0.00 0.00 175.52 176.26 1bga h ALA 190 N 1.20 0.82 -0.63 6.16 0.00 -0.11 -0.86 119.26 125.84 1bga h ALA 190 Ca 0.26 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1bga h ALA 190 Cb 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1bga h ALA 190 CO -0.04 0.42 0.03 0.82 0.00 0.00 0.00 179.25 180.48 1bga h ILE 191 N 0.88 1.27 -0.29 0.00 2.04 -0.50 -0.37 117.51 120.53 1bga h ILE 191 Ca 0.21 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 1bga h ILE 191 Cb 0.18 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1bga h ILE 191 CO -0.02 0.41 0.15 0.44 0.00 0.00 0.00 178.15 179.14 1bga h ASP 192 N 1.00 0.37 -0.22 1.72 3.32 -0.26 0.02 116.42 122.37 1bga h ASP 192 Ca 0.18 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.14 1bga h ASP 192 Cb 0.53 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 1bga h ASP 192 CO 0.03 0.37 0.11 0.58 -1.72 0.00 0.00 179.24 178.60 1bga h VAL 193 N 0.35 0.99 -0.60 -1.35 2.07 -0.96 0.61 116.25 117.36 1bga h VAL 193 Ca 0.10 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.58 1bga h VAL 193 Cb 0.09 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1bga h VAL 193 CO -0.01 0.04 0.34 1.23 0.02 0.00 0.00 177.57 179.19 1bga h GLY 194 N 0.23 0.86 0.84 2.17 0.00 -0.81 -1.07 103.07 105.29 1bga h GLY 194 Ca 0.09 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 1bga h GLY 194 CO -0.07 0.19 -0.06 0.84 0.00 0.00 0.00 176.54 177.44 1bga h HIS 195 N 0.66 0.53 -0.17 5.60 6.17 -0.53 -2.66 115.15 124.76 1bga h HIS 195 Ca 0.25 -0.12 -0.09 0.00 0.71 0.00 0.00 60.37 61.13 1bga h HIS 195 Cb 0.09 -0.13 -0.01 0.00 2.52 0.00 0.00 27.41 29.88 1bga h HIS 195 CO -0.07 0.70 -0.28 0.45 0.71 0.00 0.00 177.93 179.44 1bga h HIS 196 N 0.21 0.35 -0.07 5.26 3.86 -0.71 -1.58 115.15 122.46 1bga h HIS 196 Ca 0.06 -0.07 -0.12 0.00 -1.16 0.00 0.00 60.37 59.08 1bga h HIS 196 Cb 0.53 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 1bga h HIS 196 CO 0.05 0.57 -0.50 1.37 0.86 0.00 0.00 177.93 180.28 1bga h LEU 197 N 0.28 0.20 -0.48 2.43 8.10 -1.17 -0.42 115.31 124.25 1bga h LEU 197 Ca 0.04 -0.10 -0.09 0.00 0.11 0.00 0.00 57.88 57.85 1bga h LEU 197 Cb 0.64 -0.06 -0.02 0.00 -0.44 0.00 0.00 40.66 40.79 1bga h LEU 197 CO 0.05 0.67 -0.04 -0.07 -4.11 0.00 0.00 178.44 174.94 1bga h LEU 198 N 0.15 0.86 -0.33 0.17 3.38 -1.03 0.22 115.31 118.73 1bga h LEU 198 Ca 0.01 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1bga h LEU 198 Cb 0.93 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1bga h LEU 198 CO 0.07 0.98 0.09 0.58 0.09 0.00 0.00 178.44 180.25 1bga h VAL 199 N 0.73 1.22 -0.64 1.22 2.07 -1.08 -0.35 116.25 119.41 1bga h VAL 199 Ca 0.13 -0.72 0.06 0.00 0.82 0.00 0.00 66.70 67.00 1bga h VAL 199 Cb 0.56 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 1bga h VAL 199 CO 0.03 0.24 0.34 0.00 0.02 0.00 0.00 177.57 178.20 1bga h ALA 200 N 0.92 0.86 0.44 1.67 0.00 -0.85 -0.78 119.26 121.52 1bga h ALA 200 Ca 0.10 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1bga h ALA 200 Cb 0.28 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1bga h ALA 200 CO -0.00 -0.01 -0.24 1.25 0.00 0.00 0.00 179.25 180.25 1bga h HIS 201 N 0.62 -0.63 -0.35 0.00 6.17 -0.18 -1.46 115.15 119.32 1bga h HIS 201 Ca 0.29 -0.01 0.07 0.00 0.71 0.00 0.00 60.37 61.43 1bga h HIS 201 Cb 0.22 0.22 -0.07 0.00 2.52 0.00 0.00 27.41 30.30 1bga h HIS 201 CO -0.09 -0.38 -0.08 0.78 0.71 0.00 0.00 177.93 178.87 1bga h GLY 202 N -0.63 0.26 0.91 5.26 0.00 -0.38 -1.99 103.07 106.50 1bga h GLY 202 Ca -0.05 0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.41 1bga h GLY 202 CO 0.07 -0.13 0.47 1.41 0.00 0.00 0.00 176.54 178.36 1bga h LEU 203 N 0.01 0.79 -1.21 3.11 3.38 -1.09 -2.21 115.31 118.09 1bga h LEU 203 Ca 0.17 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1bga h LEU 203 Cb 0.26 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1bga h LEU 203 CO -0.36 0.55 0.10 0.28 0.09 0.00 0.00 178.44 179.11 1bga h SER 204 N 0.94 0.60 -0.48 -0.43 0.02 -0.70 -0.70 113.55 112.80 1bga h SER 204 Ca 0.29 -0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 61.04 1bga h SER 204 Cb -0.02 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1bga h SER 204 CO -0.10 0.60 -0.12 0.58 -1.14 0.00 0.00 176.83 176.66 1bga h VAL 205 N 0.64 1.27 0.18 2.27 2.07 -0.97 0.28 116.25 121.99 1bga h VAL 205 Ca 0.15 -1.25 0.01 0.00 0.82 0.00 0.00 66.70 66.42 1bga h VAL 205 Cb 0.24 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1bga h VAL 205 CO -0.00 0.43 -0.27 0.03 0.02 0.00 0.00 177.57 177.78 1bga h ARG 206 N 0.79 -0.50 -0.96 1.57 3.08 -0.77 0.71 114.38 118.30 1bga h ARG 206 Ca 0.12 0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.32 1bga h ARG 206 Cb 0.67 0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.76 1bga h ARG 206 CO 0.05 -0.33 0.61 0.00 -1.07 0.00 0.00 179.97 179.23 1bga h ARG 207 N -0.52 0.92 -0.41 0.04 2.47 -0.94 0.25 114.38 116.19 1bga h ARG 207 Ca 0.02 -0.06 0.02 0.00 -1.26 0.00 0.00 59.98 58.70 1bga h ARG 207 Cb 0.52 -0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 28.60 1bga h ARG 207 CO -0.12 0.61 0.22 0.35 0.56 0.00 0.00 179.97 181.59 1bga h PHE 208 N 0.95 0.42 0.01 3.04 3.57 0.12 0.85 116.94 125.90 1bga h PHE 208 Ca 0.46 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.97 1bga h PHE 208 Cb 0.45 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1bga h PHE 208 CO -0.00 0.23 -0.01 0.00 -2.23 0.00 0.00 178.31 176.30 1bga h ARG 209 N 0.45 -0.02 -0.73 1.11 2.47 0.71 -2.34 114.38 116.04 1bga h ARG 209 Ca 0.17 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.89 1bga h ARG 209 Cb 0.05 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.33 1bga h ARG 209 CO -0.10 0.29 0.44 0.93 0.56 0.00 0.00 179.97 182.09 1bga h GLU 210 N -0.33 1.00 0.00 0.04 5.08 -0.33 -1.19 114.58 118.86 1bga h GLU 210 Ca -0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1bga h GLU 210 Cb 0.32 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1bga h GLU 210 CO 0.00 0.71 0.00 1.28 -1.00 0.00 0.00 179.01 180.01 1bga n LEU 211 N -4.51 0.25 -2.12 1.33 4.77 0.27 -4.88 117.00 112.11 1bga n LEU 211 Ca 0.07 0.55 -0.17 0.00 -0.03 0.00 0.00 56.01 56.42 1bga n LEU 211 Cb 0.06 -0.49 0.01 0.00 -2.33 0.00 0.00 43.42 40.66 1bga n LEU 211 CO 0.37 -0.25 -0.13 0.61 -1.33 0.00 0.00 177.39 176.67 1bga n GLY 212 N 0.54 -0.30 3.72 -0.72 0.00 -0.45 -4.95 105.19 103.03 1bga n GLY 212 Ca 0.04 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 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 -4.12 4.57 -2.69 2.61 -1.04 -0.92 -4.96 114.28 107.73 1bga n THR 213 Ca -0.15 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 61.00 1bga n THR 213 Cb 0.63 -1.51 -0.06 0.00 -1.82 0.00 0.00 70.33 67.57 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 -1.24 6.93 0.00 8.00 1.04 -1.26 -4.92 113.70 122.25 1bga s SER 214 Ca 0.79 1.87 0.00 0.00 0.48 0.00 0.00 55.95 59.09 1bga s SER 214 Cb -0.39 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.16 1bga s SER 214 CO 0.43 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.90 1bga n GLY 215 N 0.06 -1.81 3.48 7.32 0.00 -1.26 -4.52 105.19 108.46 1bga n GLY 215 Ca 0.05 -1.93 -0.25 0.00 0.00 0.00 0.00 46.02 43.90 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 1.71 0.01 1.61 -2.07 -0.30 -4.97 119.66 115.65 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 -1.84 -0.01 0.00 -1.09 0.00 0.00 33.01 30.07 1bga s GLN 216 CO 0.00 0.35 -0.02 -1.50 -1.32 0.00 0.00 175.29 172.81 1bga s ILE 217 N -2.27 0.06 0.00 3.63 2.07 -1.26 -1.12 121.20 122.31 1bga s ILE 217 Ca 0.28 -0.49 0.00 0.00 -1.41 0.00 0.00 60.65 59.03 1bga s ILE 217 Cb -0.06 -0.15 0.00 0.00 0.13 0.00 0.00 42.46 42.38 1bga s ILE 217 CO 0.14 -0.27 0.00 0.61 -1.91 0.00 0.00 174.94 173.51 1bga n GLY 218 N 2.29 3.04 3.16 1.50 0.00 -0.42 -0.85 105.19 113.90 1bga n GLY 218 Ca -0.18 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.80 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 0.89 -0.58 -0.61 2.07 -1.24 -0.95 121.20 117.98 1bga s ILE 219 Ca 0.00 -1.56 0.04 0.00 -1.41 0.00 0.00 60.65 57.72 1bga s ILE 219 Cb 0.00 -1.26 0.15 0.00 0.13 0.00 0.00 42.46 41.48 1bga s ILE 219 CO 0.00 -0.53 0.38 0.00 -1.91 0.00 0.00 174.94 172.88 1bga s ALA 220 N -2.29 3.09 0.47 1.50 0.00 -0.62 -0.30 121.76 123.60 1bga s ALA 220 Ca 0.03 -3.31 -0.22 0.00 0.00 0.00 0.00 51.96 48.46 1bga s ALA 220 Cb -0.04 -2.04 -0.08 0.00 0.00 0.00 0.00 23.12 20.96 1bga s ALA 220 CO -0.00 -2.06 1.08 -1.25 0.00 0.00 0.00 175.76 173.53 1bga s PRO 221 N -0.69 3.80 0.06 0.00 0.04 -1.14 -0.35 135.00 136.73 1bga s PRO 221 Ca 0.23 1.52 -0.25 0.00 0.04 0.00 0.00 61.00 62.54 1bga s PRO 221 Cb -0.11 -2.25 -0.06 0.00 0.04 0.00 0.00 34.50 32.12 1bga s PRO 221 CO -0.11 -0.46 0.77 0.54 0.04 0.00 0.00 177.00 177.79 1bga s ASN 222 N -1.72 7.24 -0.13 6.66 4.22 -1.26 -2.54 114.94 127.40 1bga s ASN 222 Ca 0.65 1.48 -0.07 0.00 -2.14 0.00 0.00 52.86 52.78 1bga s ASN 222 Cb -0.21 -2.47 -0.04 0.00 1.28 0.00 0.00 41.25 39.80 1bga s ASN 222 CO 0.26 0.04 0.14 -0.69 -2.04 0.00 0.00 177.10 174.80 1bga s VAL 223 N -0.18 5.49 0.24 3.54 1.01 -0.00 -4.47 120.40 126.02 1bga s VAL 223 Ca 0.38 0.20 0.10 0.00 0.00 0.00 0.00 61.98 62.67 1bga s VAL 223 Cb -0.21 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1bga s VAL 223 CO 0.23 0.60 -0.11 -0.94 0.00 0.00 0.00 175.10 174.89 1bga s SER 224 N -0.89 4.09 -0.16 3.32 1.04 -1.26 -4.70 113.70 115.13 1bga s SER 224 Ca 0.14 -0.77 -0.06 0.00 0.48 0.00 0.00 55.95 55.75 1bga s SER 224 Cb -0.12 -0.60 0.08 0.00 0.10 0.00 0.00 66.02 65.48 1bga s SER 224 CO 0.03 0.05 0.35 0.86 0.98 0.00 0.00 173.24 175.51 1bga s TRP 225 N -2.17 -0.61 0.00 5.02 -0.11 -1.26 -4.80 118.94 115.01 1bga s TRP 225 Ca 0.28 1.26 0.05 0.00 1.22 0.00 0.00 56.10 58.91 1bga s TRP 225 Cb -0.07 0.15 -0.01 0.00 -1.50 0.00 0.00 33.47 32.04 1bga s TRP 225 CO 0.16 -0.41 -0.15 0.00 -4.62 0.00 0.00 176.95 171.93 1bga s ALA 226 N 2.39 1.27 -0.04 5.86 0.00 -1.26 -1.30 121.76 128.68 1bga s ALA 226 Ca -0.01 -0.72 0.07 0.00 0.00 0.00 0.00 51.96 51.30 1bga s ALA 226 Cb -0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 1bga s ALA 226 CO -0.11 0.29 -0.25 0.08 0.00 0.00 0.00 175.76 175.78 1bga s VAL 227 N -0.49 1.98 0.33 0.00 1.01 -0.13 -4.91 120.40 118.18 1bga s VAL 227 Ca 0.05 -1.05 -0.28 0.00 0.00 0.00 0.00 61.98 60.70 1bga s VAL 227 Cb -0.06 -1.66 -0.10 0.00 0.00 0.00 0.00 36.38 34.56 1bga s VAL 227 CO 0.00 0.56 1.22 -2.16 0.00 0.00 0.00 175.10 174.72 1bga s PRO 228 N -0.37 4.40 -0.02 2.72 0.04 -1.26 -0.82 135.00 139.69 1bga s PRO 228 Ca 0.03 2.04 -0.26 0.00 0.04 0.00 0.00 61.00 62.85 1bga s PRO 228 Cb -0.11 -3.05 -0.20 0.00 0.04 0.00 0.00 34.50 31.18 1bga s PRO 228 CO 0.01 -0.08 1.25 -0.92 0.04 0.00 0.00 177.00 177.29 1bga h TYR 229 N 3.40 -0.04 -1.33 0.56 3.20 -1.48 -3.46 116.97 117.83 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 0.43 -0.40 -1.54 -1.64 0.00 0.00 178.16 175.57 1bga s SER 230 N -5.63 4.73 0.00 -2.11 1.04 -1.26 -5.01 113.70 105.46 1bga s SER 230 Ca -0.16 -0.98 0.24 0.00 0.48 0.00 0.00 55.95 55.53 1bga s SER 230 Cb 0.02 -0.32 1.25 0.00 0.10 0.00 0.00 66.02 67.07 1bga s SER 230 CO 0.65 -0.72 1.82 0.35 0.98 0.00 0.00 173.24 176.33 1bga n THR 231 N -1.49 0.04 -1.89 2.02 -2.24 -1.26 -4.69 114.28 104.78 1bga n THR 231 Ca 0.01 -0.09 -0.37 0.00 -2.27 0.00 0.00 64.05 61.33 1bga n THR 231 Cb 0.63 -0.14 0.05 0.00 -2.10 0.00 0.00 70.33 68.77 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 -1.73 5.02 0.32 3.42 1.04 -1.26 -4.89 113.70 115.62 1bga s SER 232 Ca 0.35 2.54 0.06 0.00 0.48 0.00 0.00 55.95 59.38 1bga s SER 232 Cb 0.17 -2.61 0.56 0.00 0.10 0.00 0.00 66.02 64.24 1bga s SER 232 CO 0.28 -1.72 1.79 -0.08 0.98 0.00 0.00 173.24 174.49 1bga h GLU 233 N 0.90 0.32 -0.51 4.02 4.57 -1.98 -1.54 114.58 120.35 1bga h GLU 233 Ca -0.51 -0.11 -0.09 0.00 -1.18 0.00 0.00 59.36 57.47 1bga h GLU 233 Cb 1.31 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.86 1bga h GLU 233 CO 0.55 0.55 -0.03 1.05 -1.18 0.00 0.00 179.01 179.95 1bga h GLU 234 N 0.29 0.93 -0.56 1.92 4.11 -1.97 0.15 114.58 119.45 1bga h GLU 234 Ca 0.05 -0.31 -0.10 0.00 0.07 0.00 0.00 59.36 59.06 1bga h GLU 234 Cb 0.60 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1bga h GLU 234 CO 0.04 0.96 -0.05 -0.44 0.07 0.00 0.00 179.01 179.60 1bga h ASP 235 N 0.79 0.99 -0.88 3.06 5.19 -1.81 -0.80 116.42 122.95 1bga h ASP 235 Ca 0.14 -0.30 -0.02 0.00 -0.62 0.00 0.00 57.03 56.24 1bga h ASP 235 Cb 0.57 -0.27 -0.04 0.00 0.18 0.00 0.00 39.33 39.77 1bga h ASP 235 CO 0.03 1.07 0.47 0.50 -3.12 0.00 0.00 179.24 178.19 1bga h LYS 236 N 0.91 1.24 -0.34 3.56 3.64 -0.96 -1.88 116.57 122.74 1bga h LYS 236 Ca 0.15 -0.15 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 1bga h LYS 236 Cb 0.59 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1bga h LYS 236 CO 0.04 0.91 -0.11 0.00 -2.27 0.00 0.00 179.45 178.02 1bga h ALA 237 N 1.28 0.48 -0.73 5.00 0.00 -0.30 -2.02 119.26 122.96 1bga h ALA 237 Ca 0.31 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1bga h ALA 237 Cb 0.04 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 1bga h ALA 237 CO -0.05 0.35 0.39 0.00 0.00 0.00 0.00 179.25 179.94 1bga h ALA 238 N 0.80 1.01 -0.16 0.00 0.00 -0.80 -0.19 119.26 119.91 1bga h ALA 238 Ca 0.08 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1bga h ALA 238 Cb 0.62 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1bga h ALA 238 CO 0.04 0.03 -0.39 0.00 0.00 0.00 0.00 179.25 178.93 1bga h ALA 240 N 1.29 0.85 -0.31 0.00 0.00 -0.42 -0.17 119.26 120.50 1bga h ALA 240 Ca 0.03 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1bga h ALA 240 Cb 0.82 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1bga h ALA 240 CO 0.07 0.58 0.02 0.00 0.00 0.00 0.00 179.25 179.92 1bga h ARG 241 N 0.96 0.54 -0.39 0.00 3.08 -0.80 0.43 114.38 118.19 1bga h ARG 241 Ca 0.20 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1bga h ARG 241 Cb 0.39 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1bga h ARG 241 CO 0.01 0.66 0.25 1.15 -1.07 0.00 0.00 179.97 180.97 1bga h THR 242 N 0.34 1.11 0.09 2.04 2.02 -1.13 -2.11 112.91 115.27 1bga h THR 242 Ca 0.09 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1bga h THR 242 Cb 0.40 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1bga h THR 242 CO 0.01 0.10 -0.04 0.40 0.37 0.00 0.00 175.52 176.37 1bga h ILE 243 N 0.52 1.14 -0.45 3.11 2.04 -0.96 -3.34 117.51 119.56 1bga h ILE 243 Ca 0.14 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 1bga h ILE 243 Cb -0.04 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 1bga h ILE 243 CO -0.03 0.21 0.21 0.28 0.00 0.00 0.00 178.15 178.82 1bga h SER 244 N -0.53 0.56 -0.14 1.72 0.02 -0.85 -2.95 113.55 111.38 1bga h SER 244 Ca -0.01 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.81 1bga h SER 244 Cb 0.44 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1bga h SER 244 CO 0.02 0.49 -0.15 0.25 -1.14 0.00 0.00 176.83 176.30 1bga h LEU 245 N 0.63 0.51 -0.06 5.07 5.85 -1.50 0.40 115.31 126.20 1bga h LEU 245 Ca 0.16 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 1bga h LEU 245 Cb 0.08 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1bga h LEU 245 CO -0.02 0.68 -0.21 0.45 -0.34 0.00 0.00 178.44 178.99 1bga h HIS 246 N 0.47 0.33 0.00 1.25 3.86 -1.65 -3.39 115.15 116.03 1bga h HIS 246 Ca 0.08 -0.14 -0.03 0.00 -1.16 0.00 0.00 60.37 59.13 1bga h HIS 246 Cb 0.53 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.95 1bga h HIS 246 CO 0.02 0.84 -0.69 -1.13 0.86 0.00 0.00 177.93 177.82 1bga n SER 247 N -4.53 1.54 -0.31 2.45 3.41 -1.14 -4.61 113.62 110.42 1bga n SER 247 Ca -0.08 0.24 0.08 0.00 -0.26 0.00 0.00 58.87 58.85 1bga n SER 247 Cb 0.44 -0.56 0.29 0.00 -0.26 0.00 0.00 64.21 64.12 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 -0.57 0.82 -0.03 4.04 3.32 -1.41 0.30 116.42 122.90 1bga h ASP 248 Ca -0.04 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1bga h ASP 248 Cb 0.64 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 1bga h ASP 248 CO -0.02 0.45 0.03 -0.25 -1.72 0.00 0.00 179.24 177.72 1bga h TRP 249 N 0.88 0.00 0.00 4.55 7.01 -0.45 0.11 115.95 128.06 1bga h TRP 249 Ca 0.46 0.00 -0.21 0.00 2.11 0.00 0.00 58.89 61.24 1bga h TRP 249 Cb 0.52 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.54 1bga h TRP 249 CO -0.00 0.00 -1.88 1.19 -2.79 0.00 0.00 178.44 174.96 1bga n PHE 250 N -3.89 0.00 0.01 2.65 3.72 -0.44 -4.57 117.46 114.94 1bga n PHE 250 Ca -0.02 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.29 1bga n PHE 250 Cb 0.11 -0.61 -0.13 0.00 -0.94 0.00 0.00 39.48 37.91 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 0.03 -0.45 4.37 3.38 -0.16 -3.21 115.31 119.27 1bga h LEU 251 Ca -0.32 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.53 1bga h LEU 251 Cb 1.68 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.41 1bga h LEU 251 CO 0.02 1.04 -0.02 -0.61 0.09 0.00 0.00 178.44 178.95 1bga h GLN 252 N 0.00 0.80 -0.47 1.13 4.15 -1.00 0.12 115.11 119.86 1bga h GLN 252 Ca -0.21 -0.27 -0.01 0.00 0.77 0.00 0.00 58.65 58.94 1bga h GLN 252 Cb 1.95 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 29.55 1bga h GLN 252 CO 0.10 0.88 0.27 -1.35 -1.93 0.00 0.00 178.83 176.79 1bga h PRO 253 N 0.65 0.64 -0.59 -2.39 0.11 -1.20 0.97 132.00 130.18 1bga h PRO 253 Ca 0.12 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.14 1bga h PRO 253 Cb 0.53 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 1bga h PRO 253 CO 0.03 0.49 0.26 0.82 -0.21 0.00 0.00 178.00 179.39 1bga h ILE 254 N 0.62 1.22 0.00 4.15 2.04 -1.52 -2.05 117.51 121.97 1bga h ILE 254 Ca 0.17 -0.65 -0.37 0.00 1.00 0.00 0.00 64.86 65.01 1bga h ILE 254 Cb 0.03 0.56 -0.07 0.00 -0.74 0.00 0.00 36.82 36.59 1bga h ILE 254 CO -0.03 0.26 -2.35 -1.22 0.00 0.00 0.00 178.15 174.80 1bga n TYR 255 N -4.50 0.07 -0.01 1.37 4.01 0.41 -4.34 117.16 114.17 1bga n TYR 255 Ca 0.03 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1bga n TYR 255 Cb 0.14 -1.01 0.01 0.00 -0.31 0.00 0.00 39.34 38.17 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 -2.83 2.81 -1.40 -0.72 6.02 0.33 -5.01 117.38 116.57 1bga n GLN 256 Ca -0.33 -1.48 -0.14 0.00 -0.01 0.00 0.00 57.00 55.04 1bga n GLN 256 Cb 1.13 -1.01 -0.06 0.00 1.02 0.00 0.00 30.24 31.32 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 -0.42 1.42 3.38 1.08 0.00 -0.63 -4.90 105.19 105.11 1bga n GLY 257 Ca 0.01 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.76 -0.31 0.24 1.61 1.04 -1.16 -4.90 113.70 107.47 1bga s SER 258 Ca 0.00 -0.29 -0.09 0.00 0.48 0.00 0.00 55.95 56.05 1bga s SER 258 Cb 0.00 0.52 -0.07 0.00 0.10 0.00 0.00 66.02 66.57 1bga s SER 258 CO 0.00 -0.92 0.56 -0.31 0.98 0.00 0.00 173.24 173.55 1bga s TYR 259 N -3.81 3.43 -0.23 5.02 2.02 -1.26 -1.01 117.35 121.51 1bga s TYR 259 Ca 0.04 0.85 -0.29 0.00 -0.37 0.00 0.00 57.07 57.30 1bga s TYR 259 Cb 0.01 -2.25 -0.06 0.00 -0.40 0.00 0.00 41.96 39.26 1bga s TYR 259 CO -0.10 0.25 2.21 -2.30 -1.57 0.00 0.00 175.55 174.04 1bga n PRO 260 N -0.25 1.83 -0.28 -1.71 -0.02 -1.26 -4.85 135.00 128.46 1bga n PRO 260 Ca 0.00 0.50 0.07 0.00 -2.02 0.00 0.00 63.50 62.05 1bga n PRO 260 Cb 0.53 -3.11 0.21 0.00 -0.02 0.00 0.00 33.50 31.11 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 14.54 0.53 -0.27 -0.52 5.75 -1.98 0.77 115.11 133.92 1bga h GLN 261 Ca -0.39 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.07 1bga h GLN 261 Cb 1.25 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.67 1bga h GLN 261 CO 0.97 0.35 0.13 0.27 -2.65 0.00 0.00 178.83 177.90 1bga h PHE 262 N 0.54 0.36 0.08 3.99 -0.00 -1.99 0.45 116.94 120.37 1bga h PHE 262 Ca 0.45 -0.00 -0.25 0.00 -0.00 0.00 0.00 57.97 58.17 1bga h PHE 262 Cb 0.66 -0.12 -0.01 0.00 -0.00 0.00 0.00 35.95 36.49 1bga h PHE 262 CO -0.12 0.28 -1.13 -0.07 -0.00 0.00 0.00 178.31 177.27 1bga h LEU 263 N 0.38 0.29 -0.38 2.10 3.38 -1.44 -0.36 115.31 119.29 1bga h LEU 263 Ca 0.10 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1bga h LEU 263 Cb 0.05 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1bga h LEU 263 CO -0.01 1.22 0.18 0.58 0.09 0.00 0.00 178.44 180.49 1bga h VAL 264 N 0.06 1.17 -0.39 1.22 2.07 0.50 -0.56 116.25 120.32 1bga h VAL 264 Ca -0.09 -0.49 -0.10 0.00 0.82 0.00 0.00 66.70 66.85 1bga h VAL 264 Cb 1.85 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1bga h VAL 264 CO 0.17 0.18 -0.15 0.44 0.02 0.00 0.00 177.57 178.23 1bga h ASP 265 N 0.47 0.72 0.05 0.57 3.32 -0.11 -0.44 116.42 120.99 1bga h ASP 265 Ca 0.13 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 1bga h ASP 265 Cb 0.12 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1bga h ASP 265 CO -0.02 0.88 -0.02 -0.25 -1.72 0.00 0.00 179.24 178.11 1bga h TRP 266 N 0.65 -0.06 -0.20 4.55 2.91 -0.63 -1.94 115.95 121.22 1bga h TRP 266 Ca 0.10 -0.00 -0.11 0.00 1.13 0.00 0.00 58.89 60.01 1bga h TRP 266 Cb 0.63 0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 29.28 1bga h TRP 266 CO 0.03 0.01 -0.36 0.74 -1.03 0.00 0.00 178.44 177.83 1bga h PHE 267 N -0.12 0.50 -0.98 2.65 0.04 -0.98 -2.63 116.94 115.41 1bga h PHE 267 Ca -0.01 -0.13 0.06 0.00 2.80 0.00 0.00 57.97 60.69 1bga h PHE 267 Cb 0.10 -0.11 -0.06 0.00 2.20 0.00 0.00 35.95 38.08 1bga h PHE 267 CO -0.06 0.74 0.64 0.00 -0.60 0.00 0.00 178.31 179.03 1bga h ALA 268 N 1.25 1.40 0.00 2.45 0.00 -0.83 0.17 119.26 123.71 1bga h ALA 268 Ca 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1bga h ALA 268 Cb 0.81 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1bga h ALA 268 CO 0.07 0.47 -0.08 0.93 0.00 0.00 0.00 179.25 180.63 1bga h GLU 269 N 1.18 0.00 -0.49 0.00 4.39 -0.98 0.94 114.58 119.62 1bga h GLU 269 Ca 0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.11 1bga h GLU 269 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1bga h GLU 269 CO -0.15 0.08 0.00 1.04 -1.16 0.00 0.00 179.01 178.82 1bga n GLN 270 N -3.60 2.29 -0.88 2.33 6.02 0.47 -4.94 117.38 119.07 1bga n GLN 270 Ca -0.02 -1.99 0.00 0.00 -0.01 0.00 0.00 57.00 54.99 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 1.40 0.54 3.61 1.08 0.00 0.32 -5.03 105.19 107.11 1bga n GLY 271 Ca 0.19 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 3.06 0.02 4.61 0.00 -0.49 -4.98 121.76 121.98 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 -1.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 1bga s ALA 272 CO 0.00 0.64 -0.03 0.95 0.00 0.00 0.00 175.76 177.32 1bga s THR 273 N -1.11 0.18 0.03 0.00 -4.23 -1.26 -2.89 115.64 106.35 1bga s THR 273 Ca 0.20 -0.66 -0.30 0.00 -1.18 0.00 0.00 61.69 59.74 1bga s THR 273 Cb -0.11 -0.26 -0.05 0.00 1.34 0.00 0.00 72.50 73.41 1bga s THR 273 CO 0.11 -0.31 1.27 -0.69 -0.54 0.00 0.00 174.62 174.46 1bga s VAL 274 N -0.98 3.92 -1.19 2.29 1.01 -1.26 -4.89 120.40 119.30 1bga s VAL 274 Ca -0.10 1.34 -0.15 0.00 0.00 0.00 0.00 61.98 63.08 1bga s VAL 274 Cb -0.07 -3.86 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 1bga s VAL 274 CO -0.00 0.06 2.24 -0.81 0.00 0.00 0.00 175.10 176.58 1bga n PRO 275 N 4.56 2.45 -2.96 2.72 -0.04 -1.26 -4.94 135.00 135.52 1bga n PRO 275 Ca 0.11 -2.12 -0.41 0.00 -0.04 0.00 0.00 63.50 61.03 1bga n PRO 275 Cb 0.45 -2.96 -0.05 0.00 -0.04 0.00 0.00 33.50 30.90 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 3.63 4.89 0.30 0.52 1.01 -1.26 -5.01 121.20 125.28 1bga s ILE 276 Ca 0.53 1.44 0.03 0.00 0.00 0.00 0.00 60.65 62.65 1bga s ILE 276 Cb 0.14 -4.06 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 1bga s ILE 276 CO -0.01 -0.02 0.46 -1.10 0.00 0.00 0.00 174.94 174.27 1bga s GLN 277 N 2.60 3.42 0.39 2.79 -0.21 -1.26 -5.03 119.66 122.36 1bga s GLN 277 Ca 0.33 -0.60 -0.27 0.00 0.02 0.00 0.00 55.36 54.83 1bga s GLN 277 Cb -0.15 -2.78 -0.10 0.00 1.00 0.00 0.00 33.01 30.97 1bga s GLN 277 CO 0.08 0.26 1.45 -0.51 -2.12 0.00 0.00 175.29 174.45 1bga s ASP 278 N -4.03 6.28 0.00 5.90 1.11 -1.26 -1.78 116.67 122.89 1bga s ASP 278 Ca 0.38 2.98 0.00 0.00 0.18 0.00 0.00 52.55 56.09 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 -0.91 0.00 0.61 1.18 0.00 0.00 175.17 176.38 1bga n GLY 279 N 0.52 3.16 0.48 0.21 0.00 -1.26 -4.93 105.19 103.37 1bga n GLY 279 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.29 -0.67 1.61 3.32 -1.75 -1.92 116.42 115.72 1bga h ASP 280 Ca 0.00 0.10 0.15 0.00 0.02 0.00 0.00 57.03 57.30 1bga h ASP 280 Cb 0.00 0.42 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 1bga h ASP 280 CO 0.00 -0.65 0.46 0.24 -1.72 0.00 0.00 179.24 177.57 1bga h MET 281 N -1.00 0.24 -0.30 3.56 2.86 -1.92 0.63 114.93 119.00 1bga h MET 281 Ca -0.07 -0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 57.41 1bga h MET 281 Cb 0.85 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 1bga h MET 281 CO -0.03 0.16 -0.40 -0.44 1.06 0.00 0.00 176.91 177.27 1bga h ASP 282 N 0.24 0.78 -0.27 1.22 3.32 -1.85 -1.61 116.42 118.25 1bga h ASP 282 Ca 0.32 -0.35 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 1bga h ASP 282 Cb 0.93 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1bga h ASP 282 CO -0.07 1.08 -0.09 0.40 -1.72 0.00 0.00 179.24 178.84 1bga h ILE 283 N 0.60 1.29 -0.27 0.35 2.04 -0.19 -3.08 117.51 118.25 1bga h ILE 283 Ca 0.05 -1.13 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 1bga h ILE 283 Cb 0.94 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 1bga h ILE 283 CO 0.09 0.36 0.10 0.40 0.00 0.00 0.00 178.15 179.09 1bga h ILE 284 N 0.28 1.11 0.00 -0.67 2.04 -0.85 -2.64 117.51 116.79 1bga h ILE 284 Ca 0.07 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1bga h ILE 284 Cb 0.57 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1bga h ILE 284 CO 0.03 0.14 0.00 0.61 0.00 0.00 0.00 178.15 178.93 1bga n GLY 285 N -1.28 -0.34 3.68 5.37 0.00 -0.62 -4.40 105.19 107.61 1bga n GLY 285 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.36 2.31 -1.65 1.61 4.07 -0.99 -4.86 120.64 120.76 1bga n GLU 286 Ca 0.00 0.84 -0.48 0.00 -0.06 0.00 0.00 57.16 57.46 1bga n GLU 286 Cb 0.05 -2.67 -0.05 0.00 -0.06 0.00 0.00 31.44 28.71 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 5.18 1.83 -4.27 5.31 -0.02 -1.26 -4.99 135.00 136.77 1bga n PRO 287 Ca 0.19 0.66 -0.27 0.00 -2.02 0.00 0.00 63.50 62.06 1bga n PRO 287 Cb 0.31 -2.39 -0.09 0.00 -0.02 0.00 0.00 33.50 31.30 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 1.09 3.27 0.13 4.25 -4.36 -1.26 -5.01 121.20 119.30 1bga s ILE 288 Ca 0.82 -1.57 0.12 0.00 -0.26 0.00 0.00 60.65 59.76 1bga s ILE 288 Cb -0.77 -2.61 -0.03 0.00 1.25 0.00 0.00 42.46 40.30 1bga s ILE 288 CO 0.42 -0.07 1.52 0.44 0.24 0.00 0.00 174.94 177.49 1bga h ASP 289 N 3.00 0.00 -5.72 4.36 3.32 -1.38 -3.49 116.42 116.52 1bga h ASP 289 Ca -0.47 0.00 0.30 0.00 0.02 0.00 0.00 57.03 56.88 1bga h ASP 289 Cb 1.20 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.66 1bga h ASP 289 CO 0.54 0.65 0.80 0.00 -1.72 0.00 0.00 179.24 179.51 1bga s MET 290 N -3.24 0.57 0.16 3.56 0.23 -1.23 -4.55 119.30 114.80 1bga s MET 290 Ca 0.01 -0.34 0.06 0.00 -1.03 0.00 0.00 55.69 54.38 1bga s MET 290 Cb 0.11 0.18 -0.04 0.00 -1.53 0.00 0.00 34.83 33.54 1bga s MET 290 CO 0.76 -0.26 -0.13 0.96 -2.03 0.00 0.00 175.02 174.32 1bga s ILE 291 N -2.32 1.40 0.01 3.16 -4.36 -0.78 -3.60 121.20 114.70 1bga s ILE 291 Ca 0.20 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.60 1bga s ILE 291 Cb 0.02 -1.81 -0.04 0.00 1.25 0.00 0.00 42.46 41.88 1bga s ILE 291 CO -0.01 -0.60 0.02 -0.83 0.24 0.00 0.00 174.94 173.76 1bga s GLY 292 N -3.00 1.92 -0.10 6.27 0.00 0.59 -1.49 107.32 111.52 1bga s GLY 292 Ca 0.16 -0.95 0.03 0.00 0.00 0.00 0.00 44.72 43.96 1bga s GLY 292 CO 0.03 -0.83 -0.18 -0.42 0.00 0.00 0.00 173.10 171.70 1bga s ILE 293 N -1.14 1.65 -0.27 0.90 -1.09 0.99 -2.88 121.20 119.36 1bga s ILE 293 Ca 0.21 -0.77 -0.04 0.00 -2.23 0.00 0.00 60.65 57.83 1bga s ILE 293 Cb -0.12 -1.47 0.02 0.00 -1.58 0.00 0.00 42.46 39.31 1bga s ILE 293 CO 0.12 0.47 0.00 0.20 -1.23 0.00 0.00 174.94 174.51 1bga s ASN 294 N 0.64 4.69 -0.01 3.58 0.01 -1.05 -0.56 114.94 122.24 1bga s ASN 294 Ca -0.13 -0.80 0.04 0.00 -0.71 0.00 0.00 52.86 51.26 1bga s ASN 294 Cb -0.16 -1.76 -0.01 0.00 0.41 0.00 0.00 41.25 39.72 1bga s ASN 294 CO 0.04 -0.16 -0.15 -0.47 -1.51 0.00 0.00 177.10 174.86 1bga s TYR 295 N 1.40 1.31 0.00 2.20 6.14 -0.47 -0.82 117.35 127.11 1bga s TYR 295 Ca 0.01 -0.25 0.00 0.00 0.64 0.00 0.00 57.07 57.47 1bga s TYR 295 Cb -0.17 -0.84 0.00 0.00 0.42 0.00 0.00 41.96 41.37 1bga s TYR 295 CO -0.01 -0.03 0.00 0.66 0.64 0.00 0.00 175.55 176.81 1bga n TYR 296 N 2.73 0.00 -4.06 4.97 4.01 -1.26 -4.15 117.16 119.41 1bga n TYR 296 Ca -0.14 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.48 1bga n TYR 296 Cb 0.55 0.16 -0.04 0.00 -0.31 0.00 0.00 39.34 39.70 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 -2.11 -0.67 -3.77 7.72 2.88 -1.26 -4.81 113.62 111.59 1bga n SER 297 Ca 0.00 -2.37 -0.11 0.00 -1.33 0.00 0.00 58.87 55.05 1bga n SER 297 Cb 0.13 1.38 -0.08 0.00 -0.75 0.00 0.00 64.21 64.89 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 -2.73 0.77 0.13 -1.46 1.75 -1.26 -4.46 119.30 112.04 1bga s MET 298 Ca 0.23 -0.50 -0.01 0.00 -1.25 0.00 0.00 55.69 54.16 1bga s MET 298 Cb 0.00 0.33 -0.04 0.00 2.84 0.00 0.00 34.83 37.97 1bga s MET 298 CO 0.17 -0.24 0.06 -1.54 -0.65 0.00 0.00 175.02 172.81 1bga s SER 299 N -2.00 0.31 -0.25 1.11 1.04 -0.42 -4.84 113.70 108.64 1bga s SER 299 Ca -0.06 -1.19 -0.02 0.00 0.48 0.00 0.00 55.95 55.17 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 -0.03 -0.73 -0.06 -0.69 0.98 0.00 0.00 173.24 172.72 1bga s VAL 300 N -4.04 2.96 0.29 5.02 1.01 -1.26 -0.95 120.40 123.42 1bga s VAL 300 Ca 0.23 -0.95 0.10 0.00 0.00 0.00 0.00 61.98 61.36 1bga s VAL 300 Cb 0.07 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 1bga s VAL 300 CO 0.01 0.23 -0.05 0.20 0.00 0.00 0.00 175.10 175.49 1bga s ASN 301 N 1.35 4.21 0.04 3.32 -0.87 0.00 -0.12 114.94 122.87 1bga s ASN 301 Ca 0.01 -0.82 -0.01 0.00 -1.57 0.00 0.00 52.86 50.47 1bga s ASN 301 Cb -0.16 -0.63 -0.03 0.00 -0.02 0.00 0.00 41.25 40.40 1bga s ASN 301 CO -0.04 -0.04 -0.03 0.00 -2.57 0.00 0.00 177.10 174.42 1bga s ARG 302 N -3.64 0.48 0.16 -0.60 1.70 0.42 -1.18 118.95 116.29 1bga s ARG 302 Ca 0.32 -0.96 -0.30 0.00 -0.47 0.00 0.00 55.73 54.31 1bga s ARG 302 Cb -0.05 0.17 -0.08 0.00 -0.57 0.00 0.00 34.95 34.42 1bga s ARG 302 CO 0.18 -0.08 1.29 0.12 -1.08 0.00 0.00 175.30 175.73 1bga s PHE 303 N -2.87 3.31 -0.23 5.89 5.36 -1.26 -0.28 117.98 127.89 1bga s PHE 303 Ca -0.03 1.21 -0.04 0.00 -0.96 0.00 0.00 56.93 57.11 1bga s PHE 303 Cb 0.00 -3.56 0.12 0.00 -0.34 0.00 0.00 43.02 39.24 1bga s PHE 303 CO -0.06 -1.78 0.40 1.21 -1.46 0.00 0.00 175.22 173.52 1bga s ASN 304 N 0.58 0.03 0.64 6.13 3.84 -0.62 -4.82 114.94 120.72 1bga s ASN 304 Ca 0.58 0.47 0.34 0.00 0.21 0.00 0.00 52.86 54.46 1bga s ASN 304 Cb -0.35 1.23 1.85 0.00 -0.55 0.00 0.00 41.25 43.43 1bga s ASN 304 CO 0.35 -0.28 2.10 1.55 -2.79 0.00 0.00 177.10 178.03 1bga h PRO 305 N 8.17 0.00 -0.00 0.43 0.13 -1.95 0.80 132.00 139.57 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 -0.65 0.39 -0.23 0.00 0.00 178.00 177.74 1bga n GLU 306 N -3.28 0.25 -1.38 0.86 -0.58 -1.26 -4.71 120.64 110.54 1bga n GLU 306 Ca -0.01 -0.18 -0.39 0.00 -0.42 0.00 0.00 57.16 56.16 1bga n GLU 306 Cb 0.29 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.64 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 -1.22 6.99 -0.47 0.62 0.00 0.27 -4.94 120.51 121.77 1bga n ALA 307 Ca 0.06 -3.55 0.05 0.00 0.00 0.00 0.00 53.44 50.00 1bga n ALA 307 Cb 0.35 -3.41 -0.01 0.00 0.00 0.00 0.00 19.45 16.38 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 -2.04 0.13 0.00 0.00 -1.26 -2.30 105.19 103.43 1bga n GLY 308 Ca 0.71 -1.38 0.10 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 -1.80 0.67 0.78 1.61 -1.74 -1.26 -1.41 117.46 114.31 1bga n PHE 309 Ca 0.00 0.31 0.09 0.00 -0.56 0.00 0.00 57.45 57.29 1bga n PHE 309 Cb 0.18 -1.00 0.00 0.00 1.52 0.00 0.00 39.48 40.18 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 -2.16 1.78 -4.11 5.98 4.32 -1.26 -4.99 117.00 116.57 1bga n LEU 310 Ca 0.00 -0.78 -0.31 0.00 -0.02 0.00 0.00 56.01 54.91 1bga n LEU 310 Cb 0.12 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.88 1bga n LEU 310 CO 0.13 0.34 -0.18 0.00 -1.22 0.00 0.00 177.39 176.46 1bga n GLN 311 N -0.02 -2.94 -3.90 3.23 6.02 -0.50 -4.90 117.38 114.36 1bga n GLN 311 Ca 0.07 0.35 -0.30 0.00 -0.01 0.00 0.00 57.00 57.12 1bga n GLN 311 Cb 0.38 -4.64 -0.16 0.00 1.02 0.00 0.00 30.24 26.83 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 -3.94 3.76 -0.05 1.08 0.15 -1.10 -1.59 113.70 112.01 1bga s SER 312 Ca 0.30 -1.19 -0.18 0.00 0.70 0.00 0.00 55.95 55.59 1bga s SER 312 Cb -0.17 -1.09 -0.05 0.00 -1.71 0.00 0.00 66.02 63.00 1bga s SER 312 CO 0.92 -0.26 0.49 -0.70 1.20 0.00 0.00 173.24 174.89 1bga s GLU 313 N 1.46 4.21 -0.18 5.44 2.12 0.61 -4.86 118.70 127.50 1bga s GLU 313 Ca -0.04 0.52 -0.16 0.00 0.36 0.00 0.00 54.97 55.65 1bga s GLU 313 Cb -0.19 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 1bga s GLU 313 CO -0.08 0.39 0.40 -2.00 -0.54 0.00 0.00 175.26 173.43 1bga s GLU 314 N -0.15 4.22 0.00 4.30 2.12 -1.26 -0.44 118.70 127.50 1bga s GLU 314 Ca 0.26 0.24 -0.19 0.00 0.36 0.00 0.00 54.97 55.64 1bga s GLU 314 Cb -0.17 -3.50 -0.06 0.00 0.26 0.00 0.00 34.13 30.67 1bga s GLU 314 CO 0.13 0.05 0.55 0.42 -0.54 0.00 0.00 175.26 175.87 1bga s ILE 315 N 1.02 4.91 -0.68 -3.70 -1.09 0.82 -4.99 121.20 117.49 1bga s ILE 315 Ca 0.20 1.15 -0.24 0.00 -2.23 0.00 0.00 60.65 59.53 1bga s ILE 315 Cb -0.14 -3.88 0.06 0.00 -1.58 0.00 0.00 42.46 36.91 1bga s ILE 315 CO 0.08 0.46 1.05 0.21 -1.23 0.00 0.00 174.94 175.51 1bga s ASN 316 N -0.44 6.17 0.00 3.58 3.04 -1.26 -4.53 114.94 121.50 1bga s ASN 316 Ca 0.29 -0.84 0.25 0.00 0.04 0.00 0.00 52.86 52.59 1bga s ASN 316 Cb -0.18 -2.46 1.46 0.00 -1.54 0.00 0.00 41.25 38.54 1bga s ASN 316 CO 0.16 -1.56 1.87 0.23 -3.04 0.00 0.00 177.10 174.76 1bga n MET 317 N 8.18 0.86 -0.72 0.43 2.81 -1.26 -4.88 117.12 122.54 1bga n MET 317 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1bga n MET 317 Cb 0.46 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 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 0.68 0.86 3.76 3.03 0.00 -1.26 -5.03 105.19 107.23 1bga n GLY 318 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 3.64 0.49 0.99 1.43 -1.26 -4.98 118.68 118.99 1bga s LEU 319 Ca 0.00 2.30 -0.23 0.00 -1.03 0.00 0.00 54.13 55.17 1bga s LEU 319 Cb 0.00 -4.59 -0.06 0.00 0.03 0.00 0.00 46.19 41.57 1bga s LEU 319 CO 0.00 -1.54 1.26 -2.84 0.23 0.00 0.00 176.35 173.46 1bga s PRO 320 N -3.42 3.53 0.34 1.29 0.02 -1.26 -4.87 135.00 130.63 1bga s PRO 320 Ca 0.75 2.02 0.08 0.00 0.02 0.00 0.00 61.00 63.87 1bga s PRO 320 Cb -0.28 -2.39 -0.07 0.00 0.02 0.00 0.00 34.50 31.79 1bga s PRO 320 CO 0.33 -0.81 -0.06 0.14 -0.33 0.00 0.00 177.00 176.27 1bga s VAL 321 N -1.41 1.98 0.92 3.83 -7.23 -1.26 -2.62 120.40 114.62 1bga s VAL 321 Ca 0.66 -2.14 -0.15 0.00 -1.81 0.00 0.00 61.98 58.54 1bga s VAL 321 Cb -0.35 -2.66 0.17 0.00 0.56 0.00 0.00 36.38 34.10 1bga s VAL 321 CO 0.42 -0.18 1.28 0.42 -0.31 0.00 0.00 175.10 176.73 1bga s THR 322 N -2.77 2.00 -0.66 5.32 -4.23 0.56 -4.86 115.64 111.00 1bga s THR 322 Ca 0.32 -0.00 0.16 0.00 -1.18 0.00 0.00 61.69 60.99 1bga s THR 322 Cb 0.04 -3.00 0.16 0.00 1.34 0.00 0.00 72.50 71.04 1bga s THR 322 CO 0.15 0.00 1.49 0.47 -0.54 0.00 0.00 174.62 176.19 1bga n ASP 323 N -3.65 0.33 -0.54 3.99 8.00 0.78 -0.53 116.55 124.93 1bga n ASP 323 Ca 0.13 0.61 0.12 0.00 0.71 0.00 0.00 54.79 56.36 1bga n ASP 323 Cb 0.60 -0.67 0.13 0.00 -0.02 0.00 0.00 41.12 41.16 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 -1.90 0.00 -0.17 0.53 3.06 -1.26 -4.97 119.36 114.65 1bga n ILE 324 Ca 0.01 -0.28 0.00 0.00 -2.50 0.00 0.00 62.75 59.98 1bga n ILE 324 Cb 0.12 1.08 0.00 0.00 0.54 0.00 0.00 39.64 41.39 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 1.37 0.91 3.72 4.50 0.00 0.31 -5.08 105.19 110.91 1bga n GLY 325 Ca 0.12 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 3.47 0.42 1.61 0.51 -1.26 -4.73 118.94 116.96 1bga s TRP 326 Ca 0.00 0.71 -0.25 0.00 -2.12 0.00 0.00 56.10 54.44 1bga s TRP 326 Cb 0.00 -2.45 -0.08 0.00 -0.81 0.00 0.00 33.47 30.13 1bga s TRP 326 CO 0.00 0.17 1.17 -1.25 -0.51 0.00 0.00 176.95 176.53 1bga s PRO 327 N 0.66 3.98 -0.24 4.98 0.04 -1.26 -0.32 135.00 142.83 1bga s PRO 327 Ca 0.20 1.82 -0.10 0.00 0.04 0.00 0.00 61.00 62.96 1bga s PRO 327 Cb -0.14 -2.60 -0.05 0.00 0.04 0.00 0.00 34.50 31.75 1bga s PRO 327 CO 0.07 -0.38 0.16 0.14 0.04 0.00 0.00 177.00 177.03 1bga s VAL 328 N -1.45 5.31 -0.35 -0.36 -7.23 -1.08 -4.51 120.40 110.74 1bga s VAL 328 Ca 0.59 0.16 0.05 0.00 -1.81 0.00 0.00 61.98 60.97 1bga s VAL 328 Cb -0.30 -3.48 0.17 0.00 0.56 0.00 0.00 36.38 33.33 1bga s VAL 328 CO 0.37 0.34 0.50 -0.70 -0.31 0.00 0.00 175.10 175.30 1bga s GLU 329 N 1.13 0.62 0.50 4.82 2.12 -1.26 -4.87 118.70 121.75 1bga s GLU 329 Ca 0.07 -0.18 0.27 0.00 0.36 0.00 0.00 54.97 55.50 1bga s GLU 329 Cb -0.14 -0.20 1.30 0.00 0.26 0.00 0.00 34.13 35.35 1bga s GLU 329 CO 0.05 -1.13 1.99 0.66 -0.54 0.00 0.00 175.26 176.29 1bga h SER 330 N 7.50 0.00 -1.01 -1.70 4.64 -1.94 -3.16 113.55 117.89 1bga h SER 330 Ca 0.00 0.00 0.27 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 0.15 0.69 0.08 -0.87 0.00 0.00 176.83 177.05 1bga h ARG 331 N 0.00 0.23 -0.95 4.77 0.11 -1.97 -0.10 114.38 116.47 1bga h ARG 331 Ca -0.00 -0.01 0.22 0.00 0.10 0.00 0.00 59.98 60.28 1bga h ARG 331 Cb 0.48 -0.05 -0.08 0.00 1.11 0.00 0.00 29.97 31.43 1bga h ARG 331 CO 0.02 0.15 0.62 0.78 0.10 0.00 0.00 179.97 181.64 1bga h GLY 332 N 0.23 1.05 0.97 0.08 0.00 -1.92 0.24 103.07 103.72 1bga h GLY 332 Ca 0.53 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.56 1bga h GLY 332 CO -0.15 -0.04 -0.06 -2.00 0.00 0.00 0.00 176.54 174.29 1bga h LEU 333 N 0.45 0.76 -0.17 3.11 6.46 -1.26 -0.64 115.31 124.01 1bga h LEU 333 Ca 0.51 -0.34 -0.00 0.00 -0.12 0.00 0.00 57.88 57.92 1bga h LEU 333 Cb 1.22 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.93 1bga h LEU 333 CO -0.22 0.93 0.09 0.22 -0.62 0.00 0.00 178.44 178.83 1bga h TYR 334 N 0.58 0.24 -0.09 1.25 3.20 -0.70 -1.99 116.97 119.47 1bga h TYR 334 Ca 0.11 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1bga h TYR 334 Cb 0.57 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.76 1bga h TYR 334 CO 0.05 0.25 0.06 0.93 -1.64 0.00 0.00 178.16 177.80 1bga h GLU 335 N 0.16 0.11 -0.46 1.82 4.39 -0.86 -2.55 114.58 117.20 1bga h GLU 335 Ca 0.06 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.65 1bga h GLU 335 Cb 0.10 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1bga h GLU 335 CO -0.01 0.08 -0.12 -0.24 -1.16 0.00 0.00 179.01 177.57 1bga h VAL 336 N 0.11 1.26 -0.46 3.13 3.04 -1.10 -0.90 116.25 121.33 1bga h VAL 336 Ca 0.03 -1.20 -0.05 0.00 -1.01 0.00 0.00 66.70 64.47 1bga h VAL 336 Cb -0.01 1.03 -0.02 0.00 -2.01 0.00 0.00 31.29 30.29 1bga h VAL 336 CO -0.01 0.41 0.08 -0.07 -1.01 0.00 0.00 177.57 176.98 1bga h LEU 337 N 0.75 0.66 -0.21 3.16 3.38 -1.27 0.10 115.31 121.88 1bga h LEU 337 Ca 0.12 -0.12 -0.22 0.00 0.09 0.00 0.00 57.88 57.76 1bga h LEU 337 Cb 0.62 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.20 1bga h LEU 337 CO 0.04 0.68 -0.75 0.45 0.09 0.00 0.00 178.44 178.95 1bga h HIS 338 N 0.68 1.01 -0.70 1.13 3.86 -1.23 -3.18 115.15 116.73 1bga h HIS 338 Ca 0.15 -0.44 0.02 0.00 -1.16 0.00 0.00 60.37 58.94 1bga h HIS 338 Cb 0.31 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.58 1bga h HIS 338 CO 0.01 1.26 0.45 -0.92 0.86 0.00 0.00 177.93 179.59 1bga h TYR 339 N 0.52 0.85 0.00 2.45 3.20 -0.60 -1.80 116.97 121.59 1bga h TYR 339 Ca -0.04 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1bga h TYR 339 Cb 1.37 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.36 1bga h TYR 339 CO 0.08 0.51 0.00 1.28 -1.64 0.00 0.00 178.16 178.39 1bga n LEU 340 N -4.63 0.00 0.00 2.82 4.77 -0.03 -2.05 117.00 117.88 1bga n LEU 340 Ca 0.07 0.47 0.06 0.00 -0.03 0.00 0.00 56.01 56.57 1bga n LEU 340 Cb 0.05 -0.47 0.29 0.00 -2.33 0.00 0.00 43.42 40.96 1bga n LEU 340 CO 0.35 -0.36 0.63 0.00 -1.33 0.00 0.00 177.39 176.68 1bga n GLN 341 N -1.47 0.16 0.20 3.23 1.13 -0.68 -1.92 117.38 118.04 1bga n GLN 341 Ca 0.02 0.18 0.14 0.00 -1.94 0.00 0.00 57.00 55.40 1bga n GLN 341 Cb 0.08 -1.50 0.66 0.00 0.11 0.00 0.00 30.24 29.59 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 -0.58 -1.09 2.10 -1.62 -0.17 116.57 115.21 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 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 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 -2.53 0.77 0.00 0.07 4.01 -0.81 -5.07 117.16 113.60 1bga n TYR 343 Ca 0.00 -0.45 0.00 0.00 -0.16 0.00 0.00 57.90 57.29 1bga n TYR 343 Cb 0.17 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 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 1.34 1.47 2.72 2.72 0.00 -0.08 -4.66 105.19 108.71 1bga n GLY 344 Ca 0.20 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 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 4.71 -4.82 1.61 2.85 -1.26 -4.46 115.26 113.86 1bga n ASN 345 Ca 0.00 -2.89 -0.31 0.00 -0.11 0.00 0.00 54.58 51.26 1bga n ASN 345 Cb 0.00 -1.60 0.04 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 2.28 4.02 0.02 -1.44 -4.36 -1.26 -4.73 121.20 115.72 1bga s ILE 346 Ca 0.47 0.69 -0.30 0.00 -0.26 0.00 0.00 60.65 61.25 1bga s ILE 346 Cb 0.13 -3.41 -0.05 0.00 1.25 0.00 0.00 42.46 40.39 1bga s ILE 346 CO -0.06 -0.82 1.27 -1.81 0.24 0.00 0.00 174.94 173.76 1bga s ASP 347 N -3.67 6.99 -0.03 4.36 1.11 -1.26 -4.34 116.67 119.83 1bga s ASP 347 Ca 0.59 2.02 0.04 0.00 0.18 0.00 0.00 52.55 55.38 1bga s ASP 347 Cb -0.14 -2.57 -0.01 0.00 1.07 0.00 0.00 42.92 41.27 1bga s ASP 347 CO 0.53 -0.58 -0.15 -0.63 1.18 0.00 0.00 175.17 175.52 1bga s ILE 348 N 1.70 1.22 -0.06 0.77 1.01 -0.30 -1.87 121.20 123.67 1bga s ILE 348 Ca 0.60 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 60.68 1bga s ILE 348 Cb -0.29 -1.04 -0.01 0.00 0.01 0.00 0.00 42.46 41.13 1bga s ILE 348 CO 0.27 0.35 -0.25 -0.31 0.00 0.00 0.00 174.94 175.00 1bga s TYR 349 N -0.12 2.44 -0.76 3.97 1.51 -0.56 0.64 117.35 124.47 1bga s TYR 349 Ca 0.01 -0.75 -0.25 0.00 -1.01 0.00 0.00 57.07 55.07 1bga s TYR 349 Cb -0.08 -1.60 0.05 0.00 -0.11 0.00 0.00 41.96 40.21 1bga s TYR 349 CO 0.01 -0.24 1.20 0.42 -1.11 0.00 0.00 175.55 175.83 1bga s ILE 350 N -0.11 3.98 -0.29 2.71 -1.09 0.18 -0.00 121.20 126.57 1bga s ILE 350 Ca -0.05 -0.06 0.27 0.00 -2.23 0.00 0.00 60.65 58.57 1bga s ILE 350 Cb -0.14 -4.86 0.35 0.00 -1.58 0.00 0.00 42.46 36.22 1bga s ILE 350 CO 0.04 -1.73 1.76 0.71 -1.23 0.00 0.00 174.94 174.49 1bga h THR 351 N 6.10 0.00 -2.42 2.92 1.35 -1.12 0.43 112.91 120.16 1bga h THR 351 Ca -0.20 -0.72 -0.07 0.00 -0.55 0.00 0.00 66.41 64.87 1bga h THR 351 Cb 1.05 1.70 -0.24 0.00 -1.73 0.00 0.00 68.15 68.93 1bga h THR 351 CO 1.26 0.00 -0.16 -1.61 -0.25 0.00 0.00 175.52 174.76 1bga s GLU 352 N -3.36 0.54 -0.30 4.72 2.02 -1.17 -4.57 118.70 116.58 1bga s GLU 352 Ca 0.05 0.89 -0.12 0.00 0.02 0.00 0.00 54.97 55.81 1bga s GLU 352 Cb 0.07 0.11 0.14 0.00 0.10 0.00 0.00 34.13 34.55 1bga s GLU 352 CO 0.60 -0.13 0.77 1.21 0.02 0.00 0.00 175.26 177.73 1bga s ASN 353 N 1.15 -0.94 0.05 -0.19 3.84 -1.19 -1.37 114.94 116.30 1bga s ASN 353 Ca -0.07 1.30 -0.10 0.00 0.21 0.00 0.00 52.86 54.20 1bga s ASN 353 Cb -0.06 2.02 0.03 0.00 -0.55 0.00 0.00 41.25 42.69 1bga s ASN 353 CO -0.11 -0.18 0.46 0.61 -2.79 0.00 0.00 177.10 175.09 1bga n GLY 354 N 5.19 0.83 3.15 1.21 0.00 -1.26 -0.60 105.19 113.71 1bga n GLY 354 Ca -0.12 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.43 -0.43 -0.57 4.61 0.00 -1.26 -4.87 121.76 117.80 1bga s ALA 355 Ca 0.10 -0.07 -0.23 0.00 0.00 0.00 0.00 51.96 51.76 1bga s ALA 355 Cb -0.01 0.14 0.05 0.00 0.00 0.00 0.00 23.12 23.30 1bga s ALA 355 CO 0.01 -0.25 0.93 0.00 0.00 0.00 0.00 175.76 176.45 1bga s ILE 357 N 3.90 1.37 -1.37 0.00 -1.09 -0.78 -0.15 121.20 123.08 1bga s ILE 357 Ca 0.27 -1.01 0.00 0.00 -2.23 0.00 0.00 60.65 57.68 1bga s ILE 357 Cb -0.14 -1.61 0.00 0.00 -1.58 0.00 0.00 42.46 39.13 1bga s ILE 357 CO 0.17 -0.03 0.69 0.59 -1.23 0.00 0.00 174.94 175.13 1bga n ASN 358 N 4.75 0.65 -4.68 3.58 3.02 -1.26 -4.63 115.26 116.69 1bga n ASN 358 Ca -0.12 -2.00 -0.42 0.00 -0.03 0.00 0.00 54.58 52.01 1bga n ASN 358 Cb 0.45 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 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 -0.18 2.30 -4.58 6.41 8.00 -1.26 -4.98 116.55 122.26 1bga n ASP 359 Ca 0.00 1.14 -0.26 0.00 0.71 0.00 0.00 54.79 56.38 1bga n ASP 359 Cb 0.16 -1.45 -0.02 0.00 -0.02 0.00 0.00 41.12 39.79 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 0.31 0.77 -2.40 -1.24 -0.58 -1.26 -4.94 120.64 111.30 1bga n GLU 360 Ca 0.07 -3.26 -0.43 0.00 -0.42 0.00 0.00 57.16 53.12 1bga n GLU 360 Cb 0.38 0.51 -0.02 0.00 -0.57 0.00 0.00 31.44 31.73 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 -2.58 4.22 -0.09 2.62 1.01 -1.26 -4.36 120.40 119.96 1bga s VAL 361 Ca 0.20 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.63 1bga s VAL 361 Cb -0.02 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.38 1bga s VAL 361 CO 0.13 -0.21 -0.07 -0.69 0.00 0.00 0.00 175.10 174.26 1bga s VAL 362 N 3.75 0.90 -1.42 2.92 1.01 0.73 -4.77 120.40 123.52 1bga s VAL 362 Ca 0.56 -0.25 -0.09 0.00 0.00 0.00 0.00 61.98 62.20 1bga s VAL 362 Cb -0.21 -0.92 0.04 0.00 0.00 0.00 0.00 36.38 35.29 1bga s VAL 362 CO 0.17 0.34 1.01 0.59 0.00 0.00 0.00 175.10 177.21 1bga n ASN 363 N 4.67 -4.52 0.00 3.32 3.02 -1.26 -2.12 115.26 118.37 1bga n ASN 363 Ca -0.15 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 1bga n ASN 363 Cb 0.50 -4.38 0.00 0.00 -0.61 0.00 0.00 39.78 35.29 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 0.59 3.25 7.41 0.00 -1.26 -5.00 105.19 108.45 1bga n GLY 364 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.26 0.99 -0.36 1.61 -2.85 -0.90 -5.05 119.74 112.92 1bga s LYS 365 Ca 0.00 -1.14 -0.03 0.00 -1.00 0.00 0.00 55.97 53.80 1bga s LYS 365 Cb 0.00 0.34 0.08 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 3.30 -1.49 1.79 1.01 -1.26 -0.19 120.40 119.62 1bga s VAL 366 Ca 0.13 -1.64 -0.10 0.00 0.00 0.00 0.00 61.98 60.37 1bga s VAL 366 Cb 0.05 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.38 1bga s VAL 366 CO -0.04 -0.39 2.55 1.67 0.00 0.00 0.00 175.10 178.89 1bga n GLN 367 N 4.65 3.70 -1.49 2.72 -0.06 -1.26 -1.33 117.38 124.30 1bga n GLN 367 Ca -0.08 -2.71 -0.40 0.00 -2.00 0.00 0.00 57.00 51.81 1bga n GLN 367 Cb 0.43 -2.89 -0.02 0.00 -4.06 0.00 0.00 30.24 23.70 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 3.77 7.50 -0.04 1.69 5.75 -1.26 -4.67 116.55 129.30 1bga n ASP 368 Ca 0.65 -2.70 0.08 0.00 -0.01 0.00 0.00 54.79 52.81 1bga n ASP 368 Cb 0.28 -1.56 0.46 0.00 -1.03 0.00 0.00 41.12 39.27 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 5.21 0.42 0.74 -1.12 3.32 -1.98 -1.19 116.42 121.81 1bga h ASP 369 Ca 0.78 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.79 1bga h ASP 369 Cb 0.37 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1bga h ASP 369 CO 1.78 0.28 -0.20 0.03 -1.72 0.00 0.00 179.24 179.42 1bga h ARG 370 N 0.48 0.00 0.13 3.56 3.08 -1.99 -0.21 114.38 119.43 1bga h ARG 370 Ca 0.21 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.99 1bga h ARG 370 Cb 0.22 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.30 1bga h ARG 370 CO -0.05 0.20 -1.14 -0.09 -1.07 0.00 0.00 179.97 177.81 1bga h ARG 371 N 0.00 0.55 -0.81 0.04 2.43 -1.61 -1.52 114.38 113.46 1bga h ARG 371 Ca -0.00 -0.76 0.00 0.00 -0.81 0.00 0.00 59.98 58.41 1bga h ARG 371 Cb 0.62 0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 30.39 1bga h ARG 371 CO 0.03 1.34 0.52 0.82 -1.51 0.00 0.00 179.97 181.17 1bga h ILE 372 N 0.12 1.21 0.37 1.20 2.04 -1.13 -0.44 117.51 120.89 1bga h ILE 372 Ca -0.18 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 1bga h ILE 372 Cb 1.84 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1bga h ILE 372 CO 0.22 0.21 -0.18 -1.28 0.00 0.00 0.00 178.15 177.12 1bga h SER 373 N 1.10 -0.42 -0.23 1.72 0.87 -1.04 -0.61 113.55 114.95 1bga h SER 373 Ca 0.29 -0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.88 1bga h SER 373 Cb -0.10 0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 61.91 1bga h SER 373 CO -0.06 -0.24 -0.14 0.22 -0.53 0.00 0.00 176.83 176.08 1bga h TYR 374 N -0.56 -0.35 -0.73 2.24 5.03 -1.01 -2.29 116.97 119.30 1bga h TYR 374 Ca -0.05 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.29 1bga h TYR 374 Cb 0.42 0.19 -0.04 0.00 1.55 0.00 0.00 36.73 38.86 1bga h TYR 374 CO -0.03 -0.21 0.46 0.52 -1.32 0.00 0.00 178.16 177.58 1bga h MET 375 N -0.13 0.97 -0.16 1.82 2.86 -0.92 -2.52 114.93 116.85 1bga h MET 375 Ca 0.13 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.73 1bga h MET 375 Cb 0.32 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 1bga h MET 375 CO -0.31 0.67 -0.05 1.96 1.06 0.00 0.00 176.91 180.24 1bga h GLN 376 N 0.99 -0.01 -0.90 1.72 4.20 -0.76 0.28 115.11 120.63 1bga h GLN 376 Ca 0.26 0.00 0.05 0.00 0.06 0.00 0.00 58.65 59.03 1bga h GLN 376 Cb -0.08 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.65 1bga h GLN 376 CO -0.05 -0.01 0.57 1.96 -0.67 0.00 0.00 178.83 180.62 1bga h GLN 377 N -0.01 1.02 -0.03 1.46 4.20 -1.20 -2.04 115.11 118.51 1bga h GLN 377 Ca 0.08 -0.06 -0.23 0.00 0.06 0.00 0.00 58.65 58.50 1bga h GLN 377 Cb 0.13 -0.23 0.01 0.00 0.30 0.00 0.00 27.48 27.69 1bga h GLN 377 CO -0.17 0.68 -0.90 0.45 -0.67 0.00 0.00 178.83 178.21 1bga h HIS 378 N 1.05 0.72 0.00 2.96 3.86 -1.08 -3.03 115.15 119.64 1bga h HIS 378 Ca 0.38 -0.37 -0.05 0.00 -1.16 0.00 0.00 60.37 59.17 1bga h HIS 378 Cb 0.12 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 1bga h HIS 378 CO -0.02 1.19 -0.25 -0.07 0.86 0.00 0.00 177.93 179.64 1bga h LEU 379 N 0.30 0.00 -0.31 2.43 3.38 -0.78 -1.34 115.31 118.99 1bga h LEU 379 Ca -0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1bga h LEU 379 Cb 1.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 1bga h LEU 379 CO 0.16 0.25 0.06 0.58 0.09 0.00 0.00 178.44 179.58 1bga h VAL 380 N 0.00 1.23 -0.47 1.22 2.07 -1.31 -1.37 116.25 117.61 1bga h VAL 380 Ca -0.00 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 1bga h VAL 380 Cb 0.46 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1bga h VAL 380 CO 0.03 0.26 0.25 1.56 0.02 0.00 0.00 177.57 179.69 1bga h GLN 381 N 0.35 0.65 -0.16 1.57 1.08 -1.18 -0.75 115.11 116.66 1bga h GLN 381 Ca 0.10 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 1bga h GLN 381 Cb 0.32 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 1bga h GLN 381 CO 0.00 0.49 0.01 0.28 -0.95 0.00 0.00 178.83 178.67 1bga h VAL 382 N 0.66 1.24 -0.87 -0.54 2.07 -0.79 -1.95 116.25 116.06 1bga h VAL 382 Ca 0.17 -0.78 0.04 0.00 0.82 0.00 0.00 66.70 66.95 1bga h VAL 382 Cb 0.04 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 1bga h VAL 382 CO -0.03 0.23 0.56 -0.74 0.02 0.00 0.00 177.57 177.62 1bga h HIS 383 N 0.04 1.05 0.03 1.57 -0.00 -0.82 -1.78 115.15 115.23 1bga h HIS 383 Ca 0.05 0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.47 1bga h HIS 383 Cb 0.34 -0.35 -0.03 0.00 -0.00 0.00 0.00 27.41 27.37 1bga h HIS 383 CO 0.03 0.60 -0.17 -0.09 -0.00 0.00 0.00 177.93 178.29 1bga h ARG 384 N 1.08 -0.28 -0.66 5.26 2.43 -0.94 0.42 114.38 121.68 1bga h ARG 384 Ca 0.35 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.49 1bga h ARG 384 Cb 0.02 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1bga h ARG 384 CO -0.12 -0.19 0.21 1.79 -1.51 0.00 0.00 179.97 180.15 1bga h THR 385 N -0.29 1.24 -0.78 0.20 1.35 -1.01 -1.00 112.91 112.63 1bga h THR 385 Ca 0.05 -0.84 0.01 0.00 -0.55 0.00 0.00 66.41 65.08 1bga h THR 385 Cb 0.35 0.51 -0.04 0.00 -1.73 0.00 0.00 68.15 67.24 1bga h THR 385 CO -0.15 0.33 0.51 0.40 -0.25 0.00 0.00 175.52 176.36 1bga h ILE 386 N 0.98 1.19 0.00 6.82 2.04 -1.00 -0.78 117.51 126.75 1bga h ILE 386 Ca 0.22 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1bga h ILE 386 Cb 0.28 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1bga h ILE 386 CO -0.01 0.19 0.00 1.41 0.00 0.00 0.00 178.15 179.74 1bga n HIS 387 N -4.55 0.10 1.27 1.37 8.25 0.11 -1.01 115.22 120.75 1bga n HIS 387 Ca 0.08 0.03 0.11 0.00 -0.26 0.00 0.00 57.72 57.68 1bga n HIS 387 Cb 0.02 -0.55 0.40 0.00 1.12 0.00 0.00 29.99 30.98 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 -1.58 1.64 0.00 0.41 8.00 -0.41 -4.91 116.55 119.69 1bga n ASP 388 Ca 0.06 -1.67 0.00 0.00 0.71 0.00 0.00 54.79 53.89 1bga n ASP 388 Cb 0.28 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 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 1.14 0.75 3.79 0.44 0.00 -0.18 -5.05 105.19 106.07 1bga n GLY 389 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 4.03 -1.30 0.99 1.43 -0.54 -4.95 118.68 118.35 1bga s LEU 390 Ca 0.00 1.99 -0.07 0.00 -1.03 0.00 0.00 54.13 55.02 1bga s LEU 390 Cb 0.00 -4.33 0.04 0.00 0.03 0.00 0.00 46.19 41.93 1bga s LEU 390 CO 0.00 -0.58 2.64 1.41 0.23 0.00 0.00 176.35 180.05 1bga n HIS 391 N -0.40 2.37 -2.80 0.29 8.25 -1.26 -4.32 115.22 117.36 1bga n HIS 391 Ca 0.07 -2.79 -0.43 0.00 -0.26 0.00 0.00 57.72 54.31 1bga n HIS 391 Cb 0.51 -1.99 -0.04 0.00 1.12 0.00 0.00 29.99 29.59 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 -0.15 4.52 -0.21 1.59 1.01 -1.26 -1.15 120.40 124.76 1bga s VAL 392 Ca 0.60 1.03 0.21 0.00 0.00 0.00 0.00 61.98 63.82 1bga s VAL 392 Cb 0.20 -4.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1bga s VAL 392 CO -0.09 -0.67 0.98 0.29 0.00 0.00 0.00 175.10 175.61 1bga n LYS 393 N 6.98 0.61 -3.77 2.72 4.76 0.21 -4.93 118.16 124.74 1bga n LYS 393 Ca 0.07 0.14 -0.02 0.00 -2.87 0.00 0.00 58.31 55.63 1bga n LYS 393 Cb 0.48 -1.82 -0.00 0.00 -1.84 0.00 0.00 35.03 31.85 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 -4.47 -0.17 -0.05 0.72 0.00 -1.25 -1.77 107.32 100.33 1bga s GLY 394 Ca -0.01 0.10 -0.02 0.00 0.00 0.00 0.00 44.72 44.79 1bga s GLY 394 CO 0.80 0.87 0.10 -0.47 0.00 0.00 0.00 173.10 174.39 1bga s TYR 395 N -2.77 -0.08 -0.20 1.90 6.14 -0.02 -0.64 117.35 121.67 1bga s TYR 395 Ca 0.16 0.33 0.01 0.00 0.64 0.00 0.00 57.07 58.21 1bga s TYR 395 Cb -0.00 -0.14 0.03 0.00 0.42 0.00 0.00 41.96 42.27 1bga s TYR 395 CO 0.02 -0.13 -0.16 -1.64 0.64 0.00 0.00 175.55 174.28 1bga s MET 396 N 1.10 2.57 0.06 4.97 -1.94 0.14 -0.69 119.30 125.51 1bga s MET 396 Ca -0.09 -0.92 -0.31 0.00 -1.71 0.00 0.00 55.69 52.66 1bga s MET 396 Cb -0.12 -2.57 -0.08 0.00 2.01 0.00 0.00 34.83 34.08 1bga s MET 396 CO -0.05 -0.34 1.60 0.00 -0.01 0.00 0.00 175.02 176.23 1bga s ALA 397 N 1.29 3.67 -0.32 3.03 0.00 -0.41 -3.14 121.76 125.87 1bga s ALA 397 Ca 0.01 1.16 -0.29 0.00 0.00 0.00 0.00 51.96 52.83 1bga s ALA 397 Cb -0.15 -3.67 -0.00 0.00 0.00 0.00 0.00 23.12 19.29 1bga s ALA 397 CO -0.10 -1.05 1.44 -0.46 0.00 0.00 0.00 175.76 175.59 1bga s TRP 398 N 2.50 2.41 0.00 0.00 -0.11 0.23 -2.09 118.94 121.88 1bga s TRP 398 Ca 0.72 0.72 0.00 0.00 1.22 0.00 0.00 56.10 58.76 1bga s TRP 398 Cb -0.38 -4.07 0.00 0.00 -1.50 0.00 0.00 33.47 27.51 1bga s TRP 398 CO 0.31 -2.15 0.00 0.43 -4.62 0.00 0.00 176.95 170.93 1bga n SER 399 N 8.37 -1.63 -0.15 5.86 7.64 -1.05 -4.56 113.62 128.09 1bga n SER 399 Ca 0.17 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.93 1bga n SER 399 Cb 0.47 -0.82 -0.01 0.00 -1.01 0.00 0.00 64.21 62.84 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 0.98 -8.82 -3.43 5.85 -1.73 -2.12 115.31 106.05 1bga h LEU 400 Ca 0.00 -0.40 -0.56 0.00 0.84 0.00 0.00 57.88 57.76 1bga h LEU 400 Cb 0.00 -0.27 -0.19 0.00 0.37 0.00 0.00 40.66 40.56 1bga h LEU 400 CO 0.00 1.16 -0.81 -0.76 -0.34 0.00 0.00 178.44 177.69 1bga s LEU 401 N -9.10 2.39 0.46 2.25 1.43 -1.26 -0.70 118.68 114.16 1bga s LEU 401 Ca -0.12 -0.80 -0.23 0.00 -1.03 0.00 0.00 54.13 51.95 1bga s LEU 401 Cb 0.12 -0.92 -0.07 0.00 0.03 0.00 0.00 46.19 45.34 1bga s LEU 401 CO 0.86 0.03 1.20 -1.81 0.23 0.00 0.00 176.35 176.86 1bga s ASP 402 N -2.40 6.10 0.00 2.29 1.01 -0.98 -3.95 116.67 118.74 1bga s ASP 402 Ca 0.14 2.39 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 0.06 -0.97 0.00 -0.46 0.21 0.00 0.00 175.17 174.01 1bga n ASN 403 N -0.46 0.00 -4.56 0.27 0.23 -1.26 -4.75 115.26 104.73 1bga n ASN 403 Ca 0.07 -0.99 -0.41 0.00 -0.53 0.00 0.00 54.58 52.73 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 -5.51 2.13 -1.34 -2.53 5.36 -1.01 -4.48 117.98 110.58 1bga s PHE 404 Ca 0.00 0.36 -0.09 0.00 -0.96 0.00 0.00 56.93 56.24 1bga s PHE 404 Cb 0.00 -4.40 -0.11 0.00 -0.34 0.00 0.00 43.02 38.17 1bga s PHE 404 CO 0.00 -2.10 3.00 -1.91 -1.46 0.00 0.00 175.22 172.75 1bga n GLU 405 N 9.04 3.35 0.00 10.12 4.07 0.16 -4.65 120.64 142.73 1bga n GLU 405 Ca 0.11 -1.97 0.00 0.00 -0.06 0.00 0.00 57.16 55.24 1bga n GLU 405 Cb 0.50 -2.66 0.00 0.00 -0.06 0.00 0.00 31.44 29.22 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 3.46 0.00 0.20 4.31 7.02 -1.26 -0.41 117.44 130.75 1bga n TRP 406 Ca 0.71 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 57.31 1bga n TRP 406 Cb 0.32 0.00 0.58 0.00 -2.42 0.00 0.00 31.31 29.80 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 9.22 1.13 0.52 6.99 0.00 -1.26 -1.11 120.51 135.99 1bga n ALA 407 Ca 0.00 0.19 0.12 0.00 0.00 0.00 0.00 53.44 53.75 1bga n ALA 407 Cb 0.00 -1.33 0.20 0.00 0.00 0.00 0.00 19.45 18.32 1bga n ALA 407 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1bga h GLU 408 N 0.00 0.00 0.00 0.00 4.39 -1.10 -1.52 114.58 116.35 1bga h GLU 408 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1bga h GLU 408 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1bga h GLU 408 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 1bga n GLY 409 N 1.31 0.24 0.51 -3.84 0.00 -0.27 -3.10 105.19 100.03 1bga n GLY 409 Ca 0.03 -0.93 0.14 0.00 0.00 0.00 0.00 46.02 45.26 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 2.98 0.01 0.32 1.61 4.01 -1.26 0.39 117.16 125.21 1bga n TYR 410 Ca 0.00 -0.01 0.13 0.00 -0.16 0.00 0.00 57.90 57.87 1bga n TYR 410 Cb 0.00 0.00 0.59 0.00 -0.31 0.00 0.00 39.34 39.62 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 2.47 0.00 -3.48 7.72 -1.24 -1.86 -3.41 115.58 115.78 1bga h ASN 411 Ca 0.00 0.00 -0.66 0.00 0.71 0.00 0.00 56.30 56.35 1bga h ASN 411 Cb 0.52 0.00 -0.36 0.00 0.73 0.00 0.00 38.32 39.21 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 -3.48 2.54 -0.22 6.67 -1.94 -1.26 -5.01 119.30 116.59 1bga s MET 412 Ca 0.01 -1.07 -0.13 0.00 -1.71 0.00 0.00 55.69 52.79 1bga s MET 412 Cb 0.09 -2.70 -0.04 0.00 2.01 0.00 0.00 34.83 34.18 1bga s MET 412 CO 0.37 -0.40 0.28 1.03 -0.01 0.00 0.00 175.02 176.28 1bga s ARG 413 N 1.21 4.12 0.00 2.03 0.52 -1.26 -4.66 118.95 120.91 1bga s ARG 413 Ca -0.02 -0.04 0.04 0.00 -0.52 0.00 0.00 55.73 55.19 1bga s ARG 413 Cb -0.17 -3.54 0.04 0.00 0.52 0.00 0.00 34.95 31.80 1bga s ARG 413 CO -0.09 0.00 0.65 1.19 0.02 0.00 0.00 175.30 177.08 1bga n PHE 414 N 4.41 0.00 -2.25 -0.53 3.01 -1.26 -1.86 117.46 118.98 1bga n PHE 414 Ca -0.12 -0.01 -0.28 0.00 1.01 0.00 0.00 57.45 58.05 1bga n PHE 414 Cb 0.52 -0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.01 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 -0.38 1.59 0.08 1.37 0.00 -1.25 -4.41 107.32 104.31 1bga s GLY 415 Ca 0.05 -0.45 0.23 0.00 0.00 0.00 0.00 44.72 44.55 1bga s GLY 415 CO 0.06 -0.19 1.00 1.03 0.00 0.00 0.00 173.10 175.00 1bga n MET 416 N -2.62 0.38 -4.19 2.90 2.81 -0.80 -4.75 117.12 110.86 1bga n MET 416 Ca 0.04 0.01 -0.33 0.00 -1.81 0.00 0.00 57.70 55.61 1bga n MET 416 Cb 0.56 -1.64 -0.16 0.00 -0.71 0.00 0.00 33.22 31.27 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 0.24 2.02 1.01 0.13 -0.44 121.20 122.94 1bga s ILE 417 Ca 0.02 -0.93 -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 1.09 -2.28 0.00 0.00 0.00 174.94 175.09 1bga s HIS 418 N 1.24 3.61 -0.13 3.97 5.65 0.82 -2.31 115.29 128.13 1bga s HIS 418 Ca 0.03 1.68 0.02 0.00 0.25 0.00 0.00 55.06 57.04 1bga s HIS 418 Cb -0.13 -3.26 0.01 0.00 -1.18 0.00 0.00 32.58 28.02 1bga s HIS 418 CO -0.11 -0.51 -0.18 0.08 -0.65 0.00 0.00 174.74 173.37 1bga s VAL 419 N -0.84 1.75 -0.56 0.89 1.01 -1.26 -0.08 120.40 121.31 1bga s VAL 419 Ca 0.46 -0.78 -0.22 0.00 0.00 0.00 0.00 61.98 61.44 1bga s VAL 419 Cb -0.31 -1.58 0.06 0.00 0.00 0.00 0.00 36.38 34.55 1bga s VAL 419 CO 0.38 0.49 0.82 -0.62 0.00 0.00 0.00 175.10 176.18 1bga s ASP 420 N 1.04 6.26 0.04 3.32 -1.08 -0.73 -4.91 116.67 120.62 1bga s ASP 420 Ca -0.04 -0.72 0.04 0.00 -0.52 0.00 0.00 52.55 51.31 1bga s ASP 420 Cb -0.15 -2.38 0.20 0.00 -1.46 0.00 0.00 42.92 39.14 1bga s ASP 420 CO -0.04 -1.15 1.12 0.49 0.52 0.00 0.00 175.17 176.11 1bga n PHE 421 N 7.00 0.10 0.08 -5.34 3.72 -1.26 0.11 117.46 121.87 1bga n PHE 421 Ca -0.03 0.05 -0.15 0.00 -0.05 0.00 0.00 57.45 57.27 1bga n PHE 421 Cb 0.46 -0.58 -0.14 0.00 -0.94 0.00 0.00 39.48 38.28 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 0.24 0.00 -1.08 3.08 -1.97 -3.39 114.38 111.26 1bga h ARG 422 Ca 0.00 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.64 1bga h ARG 422 Cb 0.02 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1bga h ARG 422 CO 0.00 1.15 -0.76 0.25 -1.07 0.00 0.00 179.97 179.54 1bga n THR 423 N -3.48 0.00 -1.01 2.04 -2.24 -0.34 -4.99 114.28 104.27 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 0.67 -0.00 0.00 -2.10 0.00 0.00 70.33 69.93 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 -1.41 -0.87 -2.22 -0.78 1.13 0.30 -4.98 117.38 108.55 1bga n GLN 424 Ca -0.00 0.23 -0.42 0.00 -1.94 0.00 0.00 57.00 54.87 1bga n GLN 424 Cb 0.10 -3.90 -0.03 0.00 0.11 0.00 0.00 30.24 26.52 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 -1.58 3.38 -0.14 5.09 1.01 -1.23 -4.76 120.40 122.17 1bga s VAL 425 Ca 0.00 1.04 -0.13 0.00 0.00 0.00 0.00 61.98 62.89 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 0.11 0.28 -0.13 0.00 0.00 0.00 175.10 175.36 1bga s ARG 426 N 0.68 4.15 -0.29 2.72 3.00 -1.26 -1.77 118.95 126.19 1bga s ARG 426 Ca 0.61 0.09 -0.01 0.00 0.00 0.00 0.00 55.73 56.42 1bga s ARG 426 Cb -0.36 -3.39 0.09 0.00 0.00 0.00 0.00 34.95 31.30 1bga s ARG 426 CO 0.33 0.33 0.09 0.99 0.00 0.00 0.00 175.30 177.04 1bga s THR 427 N 0.20 0.74 0.15 0.02 2.01 0.88 -4.95 115.64 114.69 1bga s THR 427 Ca 0.17 -1.23 -0.34 0.00 0.31 0.00 0.00 61.69 60.60 1bga s THR 427 Cb -0.13 -1.52 -0.14 0.00 0.01 0.00 0.00 72.50 70.72 1bga s THR 427 CO 0.04 -0.62 1.57 -2.65 -0.69 0.00 0.00 174.62 172.27 1bga n PRO 428 N 4.91 2.09 -1.87 4.92 -0.02 -1.26 -0.13 135.00 143.64 1bga n PRO 428 Ca -0.03 0.75 -0.29 0.00 -2.02 0.00 0.00 63.50 61.91 1bga n PRO 428 Cb 0.43 -2.52 0.12 0.00 -0.02 0.00 0.00 33.50 31.51 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 0.91 1.56 0.50 -0.52 1.02 0.41 -4.63 119.74 119.00 1bga s LYS 429 Ca 0.79 -0.00 0.16 0.00 0.02 0.00 0.00 55.97 56.94 1bga s LYS 429 Cb -0.70 -1.91 1.22 0.00 -0.52 0.00 0.00 37.83 35.92 1bga s LYS 429 CO 0.38 -1.85 2.11 0.93 -0.92 0.00 0.00 175.35 176.00 1bga h GLU 430 N -1.24 0.00 -0.14 1.68 4.39 -1.50 -1.00 114.58 116.77 1bga h GLU 430 Ca -0.46 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.19 1bga h GLU 430 Cb 1.31 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.95 1bga h GLU 430 CO 0.59 0.05 -0.16 0.66 -1.16 0.00 0.00 179.01 179.00 1bga h SER 431 N 0.00 0.21 0.16 1.42 4.64 -1.82 -2.02 113.55 116.15 1bga h SER 431 Ca -0.00 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 1bga h SER 431 Cb 0.10 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1bga h SER 431 CO 0.01 0.39 -0.08 0.22 -0.87 0.00 0.00 176.83 176.50 1bga h TYR 432 N 0.21 -0.21 -0.35 4.77 5.03 -1.32 0.31 116.97 125.42 1bga h TYR 432 Ca 0.04 -0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.29 1bga h TYR 432 Cb 0.41 0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.74 1bga h TYR 432 CO 0.01 -0.09 -0.04 1.88 -1.32 0.00 0.00 178.16 178.60 1bga h TYR 433 N -0.27 0.58 -0.21 -3.82 0.05 -1.47 0.26 116.97 112.10 1bga h TYR 433 Ca -0.02 -0.07 -0.04 0.00 0.05 0.00 0.00 58.73 58.65 1bga h TYR 433 Cb 0.21 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 1bga h TYR 433 CO -0.05 0.59 -0.03 2.35 -1.05 0.00 0.00 178.16 179.97 1bga h TRP 434 N 0.53 0.44 -0.57 4.88 7.01 -1.09 -2.74 115.95 124.41 1bga h TRP 434 Ca 0.11 -0.09 -0.05 0.00 2.11 0.00 0.00 58.89 60.97 1bga h TRP 434 Cb 0.40 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.32 1bga h TRP 434 CO 0.01 0.62 0.16 -0.92 -2.79 0.00 0.00 178.44 175.52 1bga h TYR 435 N 0.13 0.93 -0.97 2.65 3.20 0.26 -2.16 116.97 121.02 1bga h TYR 435 Ca 0.06 -0.10 0.20 0.00 3.14 0.00 0.00 58.73 62.03 1bga h TYR 435 Cb 0.46 -0.27 -0.09 0.00 1.54 0.00 0.00 36.73 38.38 1bga h TYR 435 CO 0.05 0.79 0.61 -0.09 -1.64 0.00 0.00 178.16 177.88 1bga h ARG 436 N 0.81 0.58 -0.12 1.82 2.43 -0.40 -0.16 114.38 119.33 1bga h ARG 436 Ca 0.18 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1bga h ARG 436 Cb 0.31 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1bga h ARG 436 CO -0.00 0.38 -0.17 -0.91 -1.51 0.00 0.00 179.97 177.76 1bga h ASN 437 N 0.60 0.37 0.21 -3.80 2.35 -1.10 -1.74 115.58 112.46 1bga h ASN 437 Ca 0.53 -0.52 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1bga h ASN 437 Cb 1.05 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.32 1bga h ASN 437 CO -0.29 0.81 -0.10 0.58 -1.65 0.00 0.00 177.43 176.79 1bga h VAL 438 N -0.07 0.82 -0.11 2.81 2.07 -0.60 0.36 116.25 121.52 1bga h VAL 438 Ca 0.01 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.34 1bga h VAL 438 Cb 0.73 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1bga h VAL 438 CO 0.04 0.03 -0.31 -0.37 0.02 0.00 0.00 177.57 176.98 1bga h VAL 439 N -0.33 1.26 0.07 2.57 -1.51 -1.18 0.39 116.25 117.52 1bga h VAL 439 Ca -0.03 -1.24 -0.27 0.00 -1.23 0.00 0.00 66.70 63.94 1bga h VAL 439 Cb 0.26 1.52 0.02 0.00 -2.13 0.00 0.00 31.29 30.95 1bga h VAL 439 CO 0.05 0.37 -1.13 0.28 -1.23 0.00 0.00 177.57 175.91 1bga h SER 440 N 0.18 0.68 1.25 4.19 0.02 -1.21 -3.27 113.55 115.38 1bga h SER 440 Ca 0.03 -0.61 -0.16 0.00 -0.84 0.00 0.00 61.79 60.21 1bga h SER 440 Cb 0.64 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 1bga h SER 440 CO 0.05 1.43 -0.76 0.78 -1.14 0.00 0.00 176.83 177.19 1bga h ASN 441 N 0.23 0.00 -0.57 3.07 2.35 -0.76 -3.47 115.58 116.43 1bga h ASN 441 Ca -0.14 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.41 1bga h ASN 441 Cb 1.80 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 40.09 1bga h ASN 441 CO 0.20 0.74 -0.19 -3.20 -1.65 0.00 0.00 177.43 173.33 1bga n ASN 442 N -3.27 -4.15 -3.76 5.81 4.05 0.14 -4.99 115.26 109.08 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 0.83 -2.62 -0.09 0.00 1.23 0.00 0.00 39.78 39.14 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 -2.39 -0.21 0.15 1.20 1.48 -1.20 -1.53 118.94 116.44 1bga s TRP 443 Ca 0.00 0.36 0.09 0.00 -1.06 0.00 0.00 56.10 55.49 1bga s TRP 443 Cb 0.00 0.10 -0.04 0.00 -1.16 0.00 0.00 33.47 32.37 1bga s TRP 443 CO 0.00 -0.36 -0.17 -1.17 -4.06 0.00 0.00 176.95 171.19 1bga s LEU 444 N -1.11 2.72 -0.04 -4.66 2.96 0.70 -4.58 118.68 114.67 1bga s LEU 444 Ca -0.12 -0.62 0.00 0.00 -0.22 0.00 0.00 54.13 53.18 1bga s LEU 444 Cb -0.05 -1.51 0.02 0.00 0.50 0.00 0.00 46.19 45.16 1bga s LEU 444 CO 0.04 0.15 -0.02 -0.70 -1.32 0.00 0.00 176.35 174.50 1bga s GLU 445 N -2.41 0.58 -0.15 1.98 2.12 -1.26 0.43 118.70 120.00 1bga s GLU 445 Ca 0.20 0.01 -0.10 0.00 0.36 0.00 0.00 54.97 55.45 1bga s GLU 445 Cb -0.10 -0.74 -0.05 0.00 0.26 0.00 0.00 34.13 33.51 1bga s GLU 445 CO 0.11 -0.15 0.17 0.95 -0.54 0.00 0.00 175.26 175.80 1bga s THR 446 N 1.21 5.41 0.10 -1.70 -4.23 0.49 -4.99 115.64 111.93 1bga s THR 446 Ca -0.07 0.29 0.02 0.00 -1.18 0.00 0.00 61.69 60.75 1bga s THR 446 Cb -0.14 -3.48 -0.04 0.00 1.34 0.00 0.00 72.50 70.18 1bga s THR 446 CO -0.02 0.52 -0.06 -0.13 -0.54 0.00 0.00 174.62 174.39 1bga s ARG 447 N -0.30 0.82 0.00 3.99 0.52 -1.26 -2.15 118.95 120.57 1bga s ARG 447 Ca 0.13 -1.33 0.20 0.00 -0.52 0.00 0.00 55.73 54.21 1bga s ARG 447 Cb -0.12 -0.17 1.21 0.00 0.52 0.00 0.00 34.95 36.39 1bga s ARG 447 CO 0.02 -0.03 1.60 -2.13 0.02 0.00 0.00 175.30 174.78