#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0g s VAL 2 N 0.00 4.32 -0.01 1.12 1.01 -1.26 -5.07 120.40 120.52 1x0g s VAL 2 Ca 0.00 1.89 0.01 0.00 0.00 0.00 0.00 61.98 63.88 1x0g s VAL 2 Cb 0.00 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1x0g s VAL 2 CO 0.00 0.27 0.03 -1.83 0.00 0.00 0.00 175.10 173.57 1x0g s GLU 3 N 0.11 2.88 -0.21 2.72 -1.05 -1.26 -5.10 118.70 116.80 1x0g s GLU 3 Ca 0.49 -0.56 0.01 0.00 -0.15 0.00 0.00 54.97 54.76 1x0g s GLU 3 Cb -0.25 -2.74 0.04 0.00 -0.44 0.00 0.00 34.13 30.74 1x0g s GLU 3 CO 0.31 0.64 -0.12 -0.51 0.95 0.00 0.00 175.26 176.53 1x0g s LEU 4 N -1.57 2.46 1.08 1.83 1.43 -1.26 -5.12 118.68 117.52 1x0g s LEU 4 Ca 0.20 -0.94 -0.12 0.00 -1.03 0.00 0.00 54.13 52.24 1x0g s LEU 4 Cb -0.12 -1.33 0.23 0.00 0.03 0.00 0.00 46.19 45.01 1x0g s LEU 4 CO 0.11 -0.13 1.06 0.42 0.23 0.00 0.00 176.35 178.04 1x0g s THR 5 N 1.33 2.10 -0.60 5.49 -4.23 -1.26 -4.76 115.64 113.70 1x0g s THR 5 Ca -0.02 0.03 0.25 0.00 -1.18 0.00 0.00 61.69 60.78 1x0g s THR 5 Cb -0.16 -2.26 0.31 0.00 1.34 0.00 0.00 72.50 71.73 1x0g s THR 5 CO -0.08 -0.04 1.72 1.55 -0.54 0.00 0.00 174.62 177.23 1x0g h PRO 6 N -2.27 0.00 0.00 3.99 0.13 -2.00 -1.40 132.00 130.45 1x0g h PRO 6 Ca -0.57 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.47 1x0g h PRO 6 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 1x0g h PRO 6 CO 0.52 0.00 -0.43 0.00 -0.23 0.00 0.00 178.00 177.87 1x0g h ALA 7 N 2.32 1.23 -0.04 -0.56 0.00 -2.00 -1.97 119.26 118.23 1x0g h ALA 7 Ca 0.00 -0.39 -0.20 0.00 0.00 0.00 0.00 54.91 54.33 1x0g h ALA 7 Cb 0.81 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1x0g h ALA 7 CO 0.00 0.53 -0.81 0.00 0.00 0.00 0.00 179.25 178.97 1x0g h ALA 8 N 1.57 0.53 -0.54 0.00 0.00 -1.60 -2.99 119.26 116.24 1x0g h ALA 8 Ca -0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 1x0g h ALA 8 Cb 0.78 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1x0g h ALA 8 CO 0.06 0.80 0.25 0.82 0.00 0.00 0.00 179.25 181.17 1x0g h ILE 9 N 0.23 1.20 0.00 0.00 2.04 -0.98 0.34 117.51 120.35 1x0g h ILE 9 Ca -0.05 -0.59 -0.06 0.00 1.00 0.00 0.00 64.86 65.16 1x0g h ILE 9 Cb 1.41 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1x0g h ILE 9 CO 0.14 0.23 -0.31 1.56 0.00 0.00 0.00 178.15 179.77 1x0g h GLN 10 N 0.72 0.00 -0.01 2.37 4.20 -1.32 0.67 115.11 121.75 1x0g h GLN 10 Ca 0.18 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.80 1x0g h GLN 10 Cb 0.14 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.92 1x0g h GLN 10 CO -0.02 0.31 -0.36 1.49 -0.67 0.00 0.00 178.83 179.57 1x0g h GLU 11 N 0.00 0.26 -0.24 1.46 4.57 -1.33 1.01 114.58 120.31 1x0g h GLU 11 Ca -0.00 -0.27 0.06 0.00 -1.18 0.00 0.00 59.36 57.97 1x0g h GLU 11 Cb 0.56 0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 29.15 1x0g h GLU 11 CO 0.04 0.97 -0.33 -0.07 -1.18 0.00 0.00 179.01 178.45 1x0g h LEU 12 N -0.35 -1.05 -0.82 1.64 3.38 -0.33 0.59 115.31 118.37 1x0g h LEU 12 Ca -0.04 0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.16 1x0g h LEU 12 Cb 1.09 0.46 -0.06 0.00 0.09 0.00 0.00 40.66 42.25 1x0g h LEU 12 CO 0.07 -0.35 0.49 -0.33 0.09 0.00 0.00 178.44 178.42 1x0g h GLU 13 N -0.34 0.87 -0.11 1.13 5.08 0.60 1.05 114.58 122.85 1x0g h GLU 13 Ca 0.12 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1x0g h GLU 13 Cb 0.54 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1x0g h GLU 13 CO -0.43 0.57 0.10 -0.09 -1.00 0.00 0.00 179.01 178.17 1x0g h ARG 14 N 0.89 0.00 0.00 2.33 2.43 0.18 -3.09 114.38 117.13 1x0g h ARG 14 Ca 0.36 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.51 1x0g h ARG 14 Cb 0.20 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1x0g h ARG 14 CO -0.18 0.00 -0.93 -0.07 -1.51 0.00 0.00 179.97 177.28 1x0g h LEU 15 N 0.00 0.00 -1.35 3.80 3.38 0.34 -3.38 115.31 118.10 1x0g h LEU 15 Ca 0.05 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1x0g h LEU 15 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1x0g h LEU 15 CO -0.00 0.09 -0.24 0.06 0.09 0.00 0.00 178.44 178.44 1x0g h GLN 16 N 0.00 0.13 0.00 1.13 3.07 -1.32 -3.37 115.11 114.75 1x0g h GLN 16 Ca -0.02 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.68 1x0g h GLN 16 Cb 1.09 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.64 1x0g h GLN 16 CO 0.01 0.37 0.00 0.25 0.09 0.00 0.00 178.83 179.54 1x0g n THR 17 N -4.21 0.00 -2.13 1.86 -2.24 -1.26 -4.08 114.28 102.22 1x0g n THR 17 Ca -0.01 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1x0g n THR 17 Cb 0.33 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1x0g n THR 17 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1x0g n HIS 18 N 0.00 -1.40 0.00 4.78 -0.00 -1.26 -3.55 115.22 113.79 1x0g n HIS 18 Ca 0.00 0.83 0.00 0.00 -0.00 0.00 0.00 57.72 58.55 1x0g n HIS 18 Cb 0.00 -1.82 0.00 0.00 -0.00 0.00 0.00 29.99 28.17 1x0g n HIS 18 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1x0g n GLY 19 N 1.97 2.05 0.00 1.57 0.00 -1.26 -2.85 105.19 106.68 1x0g n GLY 19 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1x0g n GLY 19 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1x0g n VAL 20 N 0.00 0.00 -1.44 1.61 0.31 -1.26 -5.08 118.33 112.46 1x0g n VAL 20 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.96 1x0g n VAL 20 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 1x0g n VAL 20 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1x0g n ARG 21 N 0.00 3.74 -1.49 5.55 5.12 -1.13 -4.72 116.66 123.73 1x0g n ARG 21 Ca 0.00 -2.39 0.00 0.00 -1.93 0.00 0.00 57.85 53.53 1x0g n ARG 21 Cb 0.00 -2.68 0.00 0.00 -1.16 0.00 0.00 32.46 28.62 1x0g n ARG 21 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1x0g n ARG 22 N 3.00 0.00 0.00 5.56 0.63 -1.26 -4.21 116.66 120.38 1x0g n ARG 22 Ca 0.72 0.50 0.00 0.00 -0.92 0.00 0.00 57.85 58.14 1x0g n ARG 22 Cb 0.30 -0.99 0.00 0.00 0.45 0.00 0.00 32.46 32.21 1x0g n ARG 22 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1x0g n GLY 23 N 0.00 0.18 2.45 5.14 0.00 -1.26 -4.75 105.19 106.95 1x0g n GLY 23 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1x0g n GLY 23 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x0g n GLN 24 N 0.94 1.12 -1.47 1.61 1.13 -1.26 -5.11 117.38 114.33 1x0g n GLN 24 Ca 0.00 -2.41 -0.41 0.00 -1.94 0.00 0.00 57.00 52.24 1x0g n GLN 24 Cb 0.04 0.54 0.02 0.00 0.11 0.00 0.00 30.24 30.95 1x0g n GLN 24 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1x0g n ALA 25 N -2.02 -1.21 -3.28 -1.58 0.00 -1.26 -5.02 120.51 106.15 1x0g n ALA 25 Ca -0.13 0.12 -0.05 0.00 0.00 0.00 0.00 53.44 53.38 1x0g n ALA 25 Cb 0.42 -1.82 -0.05 0.00 0.00 0.00 0.00 19.45 18.00 1x0g n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x0g s ALA 26 N -1.52 -1.51 -0.10 0.00 0.00 -1.26 -5.11 121.76 112.27 1x0g s ALA 26 Ca 0.65 1.09 -0.06 0.00 0.00 0.00 0.00 51.96 53.63 1x0g s ALA 26 Cb -0.55 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.61 1x0g s ALA 26 CO 0.57 -1.38 0.15 0.42 0.00 0.00 0.00 175.76 175.52 1x0g s ILE 27 N 2.65 5.49 -0.32 0.00 1.01 -1.26 -5.06 121.20 123.71 1x0g s ILE 27 Ca 0.14 0.16 -0.28 0.00 0.00 0.00 0.00 60.65 60.68 1x0g s ILE 27 Cb -0.15 -3.43 0.01 0.00 0.01 0.00 0.00 42.46 38.91 1x0g s ILE 27 CO -0.20 0.57 1.00 -0.22 0.00 0.00 0.00 174.94 176.09 1x0g s LEU 28 N -1.18 3.97 -0.20 2.97 2.96 -1.26 -5.01 118.68 120.93 1x0g s LEU 28 Ca 0.17 0.93 -0.04 0.00 -0.22 0.00 0.00 54.13 54.97 1x0g s LEU 28 Cb -0.12 -3.42 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 1x0g s LEU 28 CO 0.07 -0.82 -0.02 -0.60 -1.32 0.00 0.00 176.35 173.66 1x0g s ARG 29 N 3.48 3.53 -0.15 1.98 3.52 -1.26 -5.09 118.95 124.97 1x0g s ARG 29 Ca 0.42 -0.56 -0.01 0.00 -0.13 0.00 0.00 55.73 55.45 1x0g s ARG 29 Cb -0.13 -3.04 -0.01 0.00 -1.56 0.00 0.00 34.95 30.21 1x0g s ARG 29 CO 0.15 -0.04 -0.10 0.42 -0.81 0.00 0.00 175.30 174.91 1x0g s ILE 30 N 1.12 3.23 0.35 4.11 1.01 -1.26 -5.08 121.20 124.68 1x0g s ILE 30 Ca 0.02 -0.59 0.05 0.00 0.00 0.00 0.00 60.65 60.14 1x0g s ILE 30 Cb -0.14 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 1x0g s ILE 30 CO 0.01 0.50 0.20 0.00 0.00 0.00 0.00 174.94 175.65 1x0g s GLN 31 N 0.59 1.76 0.05 2.79 -2.07 -1.26 -5.17 119.66 116.35 1x0g s GLN 31 Ca -0.06 -2.04 -0.02 0.00 -1.82 0.00 0.00 55.36 51.42 1x0g s GLN 31 Cb -0.15 -0.05 -0.03 0.00 -1.09 0.00 0.00 33.01 31.68 1x0g s GLN 31 CO 0.03 -0.55 -0.01 0.54 -1.32 0.00 0.00 175.29 173.98 1x0g s VAL 32 N -3.43 0.19 -0.09 3.63 0.11 -1.26 -5.14 120.40 114.41 1x0g s VAL 32 Ca 0.34 -1.56 -0.16 0.00 -2.93 0.00 0.00 61.98 57.67 1x0g s VAL 32 Cb 0.03 -1.25 0.04 0.00 -1.53 0.00 0.00 36.38 33.66 1x0g s VAL 32 CO 0.21 -0.86 0.40 -1.10 -3.33 0.00 0.00 175.10 170.41 1x0g s GLN 33 N -3.41 0.61 0.23 1.54 -0.21 -1.26 -5.13 119.66 112.04 1x0g s GLN 33 Ca 0.02 0.23 -0.31 0.00 0.02 0.00 0.00 55.36 55.32 1x0g s GLN 33 Cb 0.04 0.28 -0.11 0.00 1.00 0.00 0.00 33.01 34.22 1x0g s GLN 33 CO -0.08 -0.13 1.65 -1.25 -2.12 0.00 0.00 175.29 173.36 1x0g s PRO 34 N -0.54 4.14 0.00 2.91 0.04 -1.26 -4.94 135.00 135.35 1x0g s PRO 34 Ca -0.07 2.56 0.00 0.00 0.04 0.00 0.00 61.00 63.54 1x0g s PRO 34 Cb -0.04 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.44 1x0g s PRO 34 CO 0.03 -0.69 0.00 0.45 0.04 0.00 0.00 177.00 176.83 1x0g n SER 35 N 3.32 0.17 -3.60 6.66 2.88 -1.26 -5.18 113.62 116.61 1x0g n SER 35 Ca 0.13 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.54 1x0g n SER 35 Cb 0.36 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.77 1x0g n SER 35 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1x0g s GLU 36 N 2.62 1.04 0.26 -1.46 2.12 -1.26 -5.19 118.70 116.82 1x0g s GLU 36 Ca 0.00 -0.43 -0.14 0.00 0.36 0.00 0.00 54.97 54.77 1x0g s GLU 36 Cb 0.00 0.47 -0.00 0.00 0.26 0.00 0.00 34.13 34.86 1x0g s GLU 36 CO 0.00 -0.39 0.51 0.00 -0.54 0.00 0.00 175.26 174.84 1x0g n GLY 38 N -0.40 -0.01 3.48 0.00 0.00 -1.26 -4.98 105.19 102.02 1x0g n GLY 38 Ca -0.02 -0.38 -0.16 0.00 0.00 0.00 0.00 46.02 45.46 1x0g n GLY 38 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x0g s ASP 39 N -1.84 -0.62 -0.21 1.61 3.68 -1.26 -5.14 116.67 112.89 1x0g s ASP 39 Ca 0.75 0.47 -0.10 0.00 2.13 0.00 0.00 52.55 55.80 1x0g s ASP 39 Cb -0.32 0.56 -0.05 0.00 -1.45 0.00 0.00 42.92 41.65 1x0g s ASP 39 CO 0.48 -0.73 0.13 0.26 0.13 0.00 0.00 175.17 175.45 1x0g s TRP 40 N -2.05 3.35 0.09 -5.34 0.52 -1.26 -5.08 118.94 109.16 1x0g s TRP 40 Ca -0.07 0.24 -0.13 0.00 0.02 0.00 0.00 56.10 56.16 1x0g s TRP 40 Cb -0.00 -2.19 -0.06 0.00 -1.15 0.00 0.00 33.47 30.07 1x0g s TRP 40 CO 0.02 0.18 0.46 0.50 0.02 0.00 0.00 176.95 178.13 1x0g s ARG 41 N 0.64 3.89 -0.21 4.98 3.52 -1.26 -5.05 118.95 125.46 1x0g s ARG 41 Ca 0.07 0.36 -0.14 0.00 -0.13 0.00 0.00 55.73 55.89 1x0g s ARG 41 Cb -0.12 -3.03 -0.04 0.00 -1.56 0.00 0.00 34.95 30.20 1x0g s ARG 41 CO 0.01 0.56 0.31 0.71 -0.81 0.00 0.00 175.30 176.08 1x0g s TYR 42 N -1.35 3.37 -0.68 5.12 1.51 -1.26 -5.05 117.35 119.02 1x0g s TYR 42 Ca 0.33 0.49 -0.17 0.00 -1.01 0.00 0.00 57.07 56.71 1x0g s TYR 42 Cb -0.15 -2.42 0.14 0.00 -0.11 0.00 0.00 41.96 39.42 1x0g s TYR 42 CO 0.18 0.04 0.71 -0.51 -1.11 0.00 0.00 175.55 174.86 1x0g s ASP 43 N 0.98 6.39 0.05 2.29 -0.00 -1.26 -5.06 116.67 120.06 1x0g s ASP 43 Ca 0.15 -1.94 -0.22 0.00 -0.00 0.00 0.00 52.55 50.55 1x0g s ASP 43 Cb -0.14 -2.26 -0.06 0.00 -0.00 0.00 0.00 42.92 40.46 1x0g s ASP 43 CO 0.06 -0.90 0.64 -0.76 -0.00 0.00 0.00 175.17 174.22 1x0g s LEU 44 N 1.71 4.48 0.05 1.23 1.43 -1.26 -5.05 118.68 121.27 1x0g s LEU 44 Ca 0.13 1.31 -0.04 0.00 -1.03 0.00 0.00 54.13 54.50 1x0g s LEU 44 Cb -0.20 -3.02 -0.02 0.00 0.03 0.00 0.00 46.19 42.98 1x0g s LEU 44 CO -0.00 0.16 0.05 0.00 0.23 0.00 0.00 176.35 176.78 1x0g s ALA 45 N -0.59 0.12 -0.75 4.21 0.00 -1.26 -5.11 121.76 118.38 1x0g s ALA 45 Ca 0.32 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 1x0g s ALA 45 Cb -0.20 0.27 0.19 0.00 0.00 0.00 0.00 23.12 23.38 1x0g s ALA 45 CO 0.20 -0.34 0.59 -0.51 0.00 0.00 0.00 175.76 175.70 1x0g s LEU 46 N -2.40 5.27 0.80 0.00 1.43 -1.26 -5.07 118.68 117.45 1x0g s LEU 46 Ca -0.01 -3.41 -0.12 0.00 -1.03 0.00 0.00 54.13 49.56 1x0g s LEU 46 Cb 0.02 -1.83 0.07 0.00 0.03 0.00 0.00 46.19 44.48 1x0g s LEU 46 CO -0.07 -0.23 1.12 0.68 0.23 0.00 0.00 176.35 178.08 1x0g s VAL 47 N -0.88 2.73 0.14 -1.59 -7.23 -1.26 -4.98 120.40 107.34 1x0g s VAL 47 Ca 0.23 0.24 -0.04 0.00 -1.81 0.00 0.00 61.98 60.59 1x0g s VAL 47 Cb -0.12 -3.09 -0.16 0.00 0.56 0.00 0.00 36.38 33.56 1x0g s VAL 47 CO -0.09 -0.31 1.34 0.00 -0.31 0.00 0.00 175.10 175.73 1x0g h ALA 48 N -1.07 0.42 -2.45 1.32 0.00 -2.06 -3.47 119.26 111.95 1x0g h ALA 48 Ca -0.47 -0.67 -0.27 0.00 0.00 0.00 0.00 54.91 53.50 1x0g h ALA 48 Cb 1.29 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.89 1x0g h ALA 48 CO 0.62 0.79 -0.71 -1.21 0.00 0.00 0.00 179.25 178.74 1x0g s GLU 49 N -3.39 0.84 0.56 0.00 2.02 -1.26 -5.15 118.70 112.31 1x0g s GLU 49 Ca -0.06 -1.25 -0.12 0.00 0.02 0.00 0.00 54.97 53.56 1x0g s GLU 49 Cb 0.09 -0.36 -0.05 0.00 0.10 0.00 0.00 34.13 33.91 1x0g s GLU 49 CO 0.86 0.03 0.97 -1.25 0.02 0.00 0.00 175.26 175.89 1x0g s PRO 50 N -3.33 3.71 0.46 0.39 0.04 -1.26 -5.08 135.00 129.93 1x0g s PRO 50 Ca 0.09 0.73 -0.23 0.00 0.04 0.00 0.00 61.00 61.63 1x0g s PRO 50 Cb 0.01 -2.15 -0.07 0.00 0.04 0.00 0.00 34.50 32.33 1x0g s PRO 50 CO -0.02 -0.41 1.15 0.15 0.04 0.00 0.00 177.00 177.91 1x0g s LYS 51 N -4.72 3.76 0.00 4.56 1.02 -1.26 -4.87 119.74 118.23 1x0g s LYS 51 Ca 0.55 1.73 0.00 0.00 0.02 0.00 0.00 55.97 58.27 1x0g s LYS 51 Cb -0.11 -2.37 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 1x0g s LYS 51 CO 0.45 -0.54 0.12 -0.35 -0.92 0.00 0.00 175.35 174.10 1x0g n PRO 52 N -0.54 0.07 0.00 -1.68 -0.04 -1.26 -2.19 135.00 129.35 1x0g n PRO 52 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1x0g n PRO 52 Cb 0.49 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1x0g n PRO 52 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1x0g n THR 53 N 1.74 0.00 -1.28 0.52 5.66 -1.26 -5.14 114.28 114.52 1x0g n THR 53 Ca 0.00 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.68 1x0g n THR 53 Cb 0.03 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 68.91 1x0g n THR 53 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1x0g s ASP 54 N 0.00 4.35 -0.22 1.09 1.01 -0.93 -3.69 116.67 118.28 1x0g s ASP 54 Ca 0.00 1.95 -0.09 0.00 0.71 0.00 0.00 52.55 55.12 1x0g s ASP 54 Cb 0.00 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.35 1x0g s ASP 54 CO 0.00 -2.14 0.12 -0.76 0.21 0.00 0.00 175.17 172.60 1x0g s LEU 55 N -5.77 3.97 -0.24 1.23 1.43 0.11 -4.83 118.68 114.58 1x0g s LEU 55 Ca 0.64 0.09 -0.07 0.00 -1.03 0.00 0.00 54.13 53.75 1x0g s LEU 55 Cb -0.19 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 1x0g s LEU 55 CO 0.53 0.10 0.06 -0.76 0.23 0.00 0.00 176.35 176.51 1x0g s LEU 56 N 0.82 3.45 0.00 1.79 1.43 -1.26 -1.49 118.68 123.43 1x0g s LEU 56 Ca 0.06 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1x0g s LEU 56 Cb -0.13 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1x0g s LEU 56 CO 0.02 -0.01 0.02 1.07 0.23 0.00 0.00 176.35 177.68 1x0g n THR 57 N 4.77 0.00 -3.69 5.49 5.66 -0.14 -4.96 114.28 121.41 1x0g n THR 57 Ca -0.16 -0.31 -0.15 0.00 -3.05 0.00 0.00 64.05 60.38 1x0g n THR 57 Cb 0.51 -0.11 -0.15 0.00 -1.55 0.00 0.00 70.33 69.04 1x0g n THR 57 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 1x0g s GLN 58 N -2.26 0.07 -0.10 1.09 2.00 -1.26 -1.59 119.66 117.61 1x0g s GLN 58 Ca 0.01 0.55 -0.07 0.00 -2.00 0.00 0.00 55.36 53.85 1x0g s GLN 58 Cb -0.00 -0.21 0.04 0.00 0.80 0.00 0.00 33.01 33.64 1x0g s GLN 58 CO 0.01 -0.26 0.26 0.45 -0.50 0.00 0.00 175.29 175.24 1x0g s SER 59 N 2.01 -0.27 -1.12 6.67 0.15 -0.89 -4.84 113.70 115.41 1x0g s SER 59 Ca -0.01 0.53 -0.05 0.00 0.70 0.00 0.00 55.95 57.12 1x0g s SER 59 Cb -0.12 0.48 0.04 0.00 -1.71 0.00 0.00 66.02 64.71 1x0g s SER 59 CO -0.06 -0.13 0.28 0.00 1.20 0.00 0.00 173.24 174.53 1x0g n GLN 60 N 3.58 -2.96 -0.96 5.44 1.13 -1.26 -0.14 117.38 122.21 1x0g n GLN 60 Ca -0.19 0.49 0.00 0.00 -1.94 0.00 0.00 57.00 55.36 1x0g n GLN 60 Cb 0.56 -5.15 0.00 0.00 0.11 0.00 0.00 30.24 25.76 1x0g n GLN 60 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1x0g n GLY 61 N -1.00 0.12 3.77 1.08 0.00 -1.26 -4.98 105.19 102.92 1x0g n GLY 61 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 1x0g n GLY 61 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x0g s TRP 62 N -1.27 3.54 0.37 1.61 0.52 0.81 -5.08 118.94 119.44 1x0g s TRP 62 Ca 0.00 0.72 -0.26 0.00 0.02 0.00 0.00 56.10 56.58 1x0g s TRP 62 Cb 0.00 -2.32 -0.09 0.00 -1.15 0.00 0.00 33.47 29.91 1x0g s TRP 62 CO 0.00 0.37 1.19 0.99 0.02 0.00 0.00 176.95 179.52 1x0g s THR 63 N -0.00 3.09 -0.10 2.01 2.01 -1.26 -2.10 115.64 119.29 1x0g s THR 63 Ca 0.19 0.98 0.02 0.00 0.31 0.00 0.00 61.69 63.19 1x0g s THR 63 Cb -0.14 -3.57 0.01 0.00 0.01 0.00 0.00 72.50 68.81 1x0g s THR 63 CO 0.07 0.14 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.35 1x0g s ILE 64 N -1.33 1.47 0.00 1.82 1.01 -0.62 -4.96 121.20 118.60 1x0g s ILE 64 Ca 0.54 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 60.57 1x0g s ILE 64 Cb -0.33 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 1x0g s ILE 64 CO 0.42 0.43 0.01 0.00 0.00 0.00 0.00 174.94 175.81 1x0g s ALA 65 N 0.91 3.33 0.01 9.38 0.00 -1.26 -0.97 121.76 133.15 1x0g s ALA 65 Ca -0.08 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 50.94 1x0g s ALA 65 Cb -0.15 -1.37 -0.01 0.00 0.00 0.00 0.00 23.12 21.59 1x0g s ALA 65 CO -0.00 0.66 -0.06 0.96 0.00 0.00 0.00 175.76 177.32 1x0g s ILE 66 N -1.11 0.42 0.08 0.00 -4.36 -0.55 -4.91 121.20 110.77 1x0g s ILE 66 Ca 0.20 -0.40 -0.31 0.00 -0.26 0.00 0.00 60.65 59.89 1x0g s ILE 66 Cb -0.12 -0.39 -0.09 0.00 1.25 0.00 0.00 42.46 43.11 1x0g s ILE 66 CO 0.11 0.00 1.88 0.00 0.24 0.00 0.00 174.94 177.17 1x0g s ALA 67 N -0.39 3.68 0.17 2.27 0.00 -1.26 0.05 121.76 126.28 1x0g s ALA 67 Ca -0.01 1.37 0.08 0.00 0.00 0.00 0.00 51.96 53.40 1x0g s ALA 67 Cb -0.04 -3.80 0.58 0.00 0.00 0.00 0.00 23.12 19.86 1x0g s ALA 67 CO -0.00 -1.38 0.76 0.00 0.00 0.00 0.00 175.76 175.14 1x0g n ALA 68 N 6.53 0.43 0.25 0.00 0.00 -1.24 -0.42 120.51 126.05 1x0g n ALA 68 Ca 0.19 0.50 0.11 0.00 0.00 0.00 0.00 53.44 54.24 1x0g n ALA 68 Cb 0.40 -0.46 -0.01 0.00 0.00 0.00 0.00 19.45 19.38 1x0g n ALA 68 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1x0g n GLU 69 N -4.20 0.50 -0.15 0.00 0.00 -1.26 -3.06 120.64 112.47 1x0g n GLU 69 Ca 0.16 0.03 0.05 0.00 0.00 0.00 0.00 57.16 57.41 1x0g n GLU 69 Cb 0.56 -1.70 0.13 0.00 0.00 0.00 0.00 31.44 30.42 1x0g n GLU 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x0g n ALA 70 N -2.07 2.47 -0.08 -1.84 0.00 0.44 -4.58 120.51 114.84 1x0g n ALA 70 Ca 0.00 -0.51 -0.08 0.00 0.00 0.00 0.00 53.44 52.85 1x0g n ALA 70 Cb 0.51 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 1x0g n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x0g h ALA 71 N 3.51 -0.22 -0.29 0.00 0.00 -1.45 -0.74 119.26 120.08 1x0g h ALA 71 Ca 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1x0g h ALA 71 Cb 0.40 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1x0g h ALA 71 CO 0.00 -0.74 -0.13 0.93 0.00 0.00 0.00 179.25 179.32 1x0g h GLU 72 N -0.29 0.48 0.00 0.00 4.39 -1.86 -1.66 114.58 115.65 1x0g h GLU 72 Ca 0.15 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1x0g h GLU 72 Cb 0.53 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1x0g h GLU 72 CO -0.48 0.61 0.00 -0.07 -1.16 0.00 0.00 179.01 177.92 1x0g h LEU 73 N 0.45 0.00 0.00 1.33 3.38 -1.50 -3.36 115.31 115.61 1x0g h LEU 73 Ca 0.08 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.78 1x0g h LEU 73 Cb 0.49 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 1x0g h LEU 73 CO 0.03 0.00 -2.02 0.18 0.09 0.00 0.00 178.44 176.72 1x0g n LEU 74 N -2.80 1.46 -4.69 1.67 4.77 -0.60 -4.70 117.00 112.12 1x0g n LEU 74 Ca 0.02 -0.05 -0.44 0.00 -0.03 0.00 0.00 56.01 55.51 1x0g n LEU 74 Cb 0.34 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1x0g n LEU 74 CO 0.27 0.58 1.02 -2.11 -1.33 0.00 0.00 177.39 175.82 1x0g n ARG 75 N -2.78 2.14 0.00 3.23 1.85 -0.96 -0.87 116.66 119.28 1x0g n ARG 75 Ca -0.28 0.76 0.00 0.00 -1.00 0.00 0.00 57.85 57.33 1x0g n ARG 75 Cb 0.91 -2.42 0.00 0.00 -1.05 0.00 0.00 32.46 29.91 1x0g n ARG 75 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1x0g n GLY 76 N 1.83 2.48 3.69 2.89 0.00 -1.26 -4.81 105.19 110.01 1x0g n GLY 76 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1x0g n GLY 76 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x0g n LEU 77 N 0.00 3.93 -4.18 0.99 7.94 -0.05 -4.02 117.00 121.62 1x0g n LEU 77 Ca 0.00 1.01 -0.33 0.00 -1.11 0.00 0.00 56.01 55.58 1x0g n LEU 77 Cb 0.00 -1.53 -0.16 0.00 0.53 0.00 0.00 43.42 42.26 1x0g n LEU 77 CO 0.00 0.13 -0.52 -0.60 -1.11 0.00 0.00 177.39 175.29 1x0g s ARG 78 N 2.27 3.06 -0.22 1.96 3.52 0.18 -4.98 118.95 124.74 1x0g s ARG 78 Ca 0.81 -0.82 -0.08 0.00 -0.13 0.00 0.00 55.73 55.51 1x0g s ARG 78 Cb -0.51 -2.54 -0.04 0.00 -1.56 0.00 0.00 34.95 30.30 1x0g s ARG 78 CO 0.37 -0.08 0.09 0.08 -0.81 0.00 0.00 175.30 174.95 1x0g s VAL 79 N 0.99 4.72 0.28 7.11 1.01 -1.26 0.45 120.40 133.71 1x0g s VAL 79 Ca -0.02 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1x0g s VAL 79 Cb -0.15 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 1x0g s VAL 79 CO -0.05 0.38 0.06 -0.67 0.00 0.00 0.00 175.10 174.82 1x0g n ASP 80 N 4.27 1.83 -3.65 3.32 2.03 0.41 -4.95 116.55 119.82 1x0g n ASP 80 Ca -0.16 -2.39 -0.05 0.00 0.52 0.00 0.00 54.79 52.71 1x0g n ASP 80 Cb 0.52 0.48 -0.07 0.00 -0.72 0.00 0.00 41.12 41.33 1x0g n ASP 80 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1x0g s TYR 81 N -2.37 -1.09 0.01 -0.67 5.04 -1.26 -1.25 117.35 115.76 1x0g s TYR 81 Ca 0.08 2.05 0.05 0.00 -2.44 0.00 0.00 57.07 56.81 1x0g s TYR 81 Cb 0.00 0.63 -0.02 0.00 0.35 0.00 0.00 41.96 42.92 1x0g s TYR 81 CO 0.06 -0.56 -0.14 0.42 -1.34 0.00 0.00 175.55 173.99 1x0g s ILE 82 N 2.18 1.12 -0.19 3.14 1.01 -0.86 -4.96 121.20 122.65 1x0g s ILE 82 Ca -0.08 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 59.76 1x0g s ILE 82 Cb -0.09 -0.97 -0.02 0.00 0.01 0.00 0.00 42.46 41.40 1x0g s ILE 82 CO -0.18 0.18 -0.05 -1.61 0.00 0.00 0.00 174.94 173.28 1x0g s GLU 83 N -0.70 3.48 0.00 2.79 2.02 -1.25 -1.33 118.70 123.71 1x0g s GLU 83 Ca 0.04 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.43 1x0g s GLU 83 Cb -0.06 -2.94 0.00 0.00 0.10 0.00 0.00 34.13 31.23 1x0g s GLU 83 CO 0.00 -0.00 0.00 -0.40 0.02 0.00 0.00 175.26 174.88 1x0g n ASP 84 N 4.23 0.66 -0.33 -0.19 5.75 0.13 -4.96 116.55 121.83 1x0g n ASP 84 Ca -0.18 -0.06 0.13 0.00 -0.01 0.00 0.00 54.79 54.67 1x0g n ASP 84 Cb 0.52 0.00 0.34 0.00 -1.03 0.00 0.00 41.12 40.94 1x0g n ASP 84 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1x0g h LEU 85 N 0.00 0.75 -0.17 -2.12 3.38 -2.06 -0.45 115.31 114.65 1x0g h LEU 85 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1x0g h LEU 85 Cb 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1x0g h LEU 85 CO 0.00 0.31 0.00 0.23 0.09 0.00 0.00 178.44 179.07 1x0g n MET 86 N -4.67 1.11 0.00 1.13 2.81 -1.26 -5.03 117.12 111.21 1x0g n MET 86 Ca 0.21 -0.16 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 1x0g n MET 86 Cb 0.53 -1.11 0.00 0.00 -0.71 0.00 0.00 33.22 31.93 1x0g n MET 86 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1x0g n GLY 87 N 0.65 0.39 3.06 3.03 0.00 -0.18 -4.95 105.19 107.20 1x0g n GLY 87 Ca 0.05 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 1x0g n GLY 87 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x0g s GLY 88 N 0.00 1.15 -0.12 -0.02 0.00 -1.26 0.20 107.32 107.27 1x0g s GLY 88 Ca 0.00 -0.89 -0.14 0.00 0.00 0.00 0.00 44.72 43.68 1x0g s GLY 88 CO 0.00 0.31 0.38 0.00 0.00 0.00 0.00 173.10 173.80 1x0g s ALA 89 N 1.18 -0.96 0.68 3.20 0.00 -0.44 -4.99 121.76 120.44 1x0g s ALA 89 Ca -0.01 0.95 -0.17 0.00 0.00 0.00 0.00 51.96 52.72 1x0g s ALA 89 Cb -0.14 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.52 1x0g s ALA 89 CO -0.06 -0.21 1.28 -0.06 0.00 0.00 0.00 175.76 176.71 1x0g s PHE 90 N -0.17 2.02 -0.08 0.00 0.40 -1.26 -2.02 117.98 116.87 1x0g s PHE 90 Ca -0.03 1.52 0.01 0.00 -0.60 0.00 0.00 56.93 57.83 1x0g s PHE 90 Cb -0.03 -3.66 0.02 0.00 0.51 0.00 0.00 43.02 39.85 1x0g s PHE 90 CO 0.02 -2.93 -0.09 1.03 0.70 0.00 0.00 175.22 173.94 1x0g s ARG 91 N -3.52 1.48 -0.23 0.44 1.81 -0.38 -4.88 118.95 113.68 1x0g s ARG 91 Ca 0.81 -0.30 -0.06 0.00 -1.72 0.00 0.00 55.73 54.46 1x0g s ARG 91 Cb -0.36 -1.36 -0.02 0.00 -0.45 0.00 0.00 34.95 32.76 1x0g s ARG 91 CO 0.42 -0.08 0.03 -0.06 -0.68 0.00 0.00 175.30 174.92 1x0g s PHE 92 N 1.04 3.06 -0.13 -0.53 0.40 -1.26 -0.44 117.98 120.11 1x0g s PHE 92 Ca -0.08 -0.49 0.02 0.00 -0.60 0.00 0.00 56.93 55.78 1x0g s PHE 92 Cb -0.15 -2.16 0.00 0.00 0.51 0.00 0.00 43.02 41.23 1x0g s PHE 92 CO -0.01 -0.33 -0.19 -1.58 0.70 0.00 0.00 175.22 173.82 1x0g s HIS 93 N 1.33 2.69 -0.18 0.36 2.46 0.17 -4.99 115.29 117.15 1x0g s HIS 93 Ca 0.04 -1.08 -0.04 0.00 0.47 0.00 0.00 55.06 54.45 1x0g s HIS 93 Cb -0.15 -1.82 0.08 0.00 -0.13 0.00 0.00 32.58 30.57 1x0g s HIS 93 CO 0.02 -0.47 0.23 1.21 -2.47 0.00 0.00 174.74 173.26 1x0g s ASN 94 N 0.63 1.02 0.18 9.88 3.04 -1.26 0.52 114.94 128.95 1x0g s ASN 94 Ca -0.10 0.04 -0.05 0.00 0.04 0.00 0.00 52.86 52.79 1x0g s ASN 94 Cb -0.16 0.48 0.07 0.00 -1.54 0.00 0.00 41.25 40.10 1x0g s ASN 94 CO 0.02 -0.30 1.48 -0.65 -3.04 0.00 0.00 177.10 174.62 1x0g h PRO 95 N 8.31 0.62 -0.89 0.43 0.11 -1.90 -2.89 132.00 135.78 1x0g h PRO 95 Ca -0.16 -0.39 0.12 0.00 0.11 0.00 0.00 66.00 65.68 1x0g h PRO 95 Cb 1.14 0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.21 1x0g h PRO 95 CO 0.23 1.01 0.51 -0.91 -0.21 0.00 0.00 178.00 178.63 1x0g h ASN 96 N 0.47 0.71 0.00 -2.05 2.35 -1.90 -0.00 115.58 115.16 1x0g h ASN 96 Ca 0.01 0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1x0g h ASN 96 Cb 1.11 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.41 1x0g h ASN 96 CO 0.11 0.36 -0.00 0.00 -1.65 0.00 0.00 177.43 176.25 1x0g h ALA 97 N 1.51 1.93 0.00 -0.83 0.00 -1.81 -2.52 119.26 117.54 1x0g h ALA 97 Ca 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1x0g h ALA 97 Cb 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1x0g h ALA 97 CO -0.29 0.00 0.12 0.45 0.00 0.00 0.00 179.25 179.53 1x0g n SER 98 N -4.44 0.00 -4.64 0.00 2.88 -0.01 -4.68 113.62 102.73 1x0g n SER 98 Ca -0.03 0.36 -0.42 0.00 -1.33 0.00 0.00 58.87 57.46 1x0g n SER 98 Cb 0.09 -0.36 -0.05 0.00 -0.75 0.00 0.00 64.21 63.14 1x0g n SER 98 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1x0g s GLN 99 N -2.71 4.14 0.02 -1.46 -1.52 -0.95 -5.03 119.66 112.14 1x0g s GLN 99 Ca 0.00 0.83 0.05 0.00 -1.95 0.00 0.00 55.36 54.29 1x0g s GLN 99 Cb 0.00 -3.66 -0.03 0.00 -0.22 0.00 0.00 33.01 29.10 1x0g s GLN 99 CO 0.00 -0.53 -0.12 -0.08 -0.25 0.00 0.00 175.29 174.32 1x0g s THR 100 N 2.81 3.27 -0.14 -0.19 -1.32 -1.26 -5.12 115.64 113.68 1x0g s THR 100 Ca 0.33 -0.97 -0.07 0.00 -1.21 0.00 0.00 61.69 59.78 1x0g s THR 100 Cb -0.15 -2.41 -0.04 0.00 -1.51 0.00 0.00 72.50 68.39 1x0g s THR 100 CO 0.08 0.36 0.09 0.00 -2.21 0.00 0.00 174.62 172.94 1x0g s GLY 102 N -0.37 1.69 0.60 0.00 0.00 -1.26 -4.98 107.32 103.00 1x0g s GLY 102 Ca 0.10 -0.96 -0.19 0.00 0.00 0.00 0.00 44.72 43.67 1x0g s GLY 102 CO 0.02 -0.49 1.27 0.00 0.00 0.00 0.00 173.10 173.89 1x0g n GLY 104 N 0.70 2.29 0.33 0.00 0.00 -1.26 -4.63 105.19 102.63 1x0g n GLY 104 Ca 0.14 -0.63 0.04 0.00 0.00 0.00 0.00 46.02 45.57 1x0g n GLY 104 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1x0g h MET 105 N 3.49 0.65 -0.90 1.61 2.86 -1.91 -1.10 114.93 119.63 1x0g h MET 105 Ca 0.00 -0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.69 1x0g h MET 105 Cb 0.88 -0.15 -0.06 0.00 0.06 0.00 0.00 31.60 32.33 1x0g h MET 105 CO 0.00 0.43 0.58 0.00 1.06 0.00 0.00 176.91 178.98 1x0g h ALA 106 N 1.68 1.59 0.00 6.32 0.00 -2.01 -2.80 119.26 124.03 1x0g h ALA 106 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1x0g h ALA 106 Cb 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1x0g h ALA 106 CO -0.05 0.25 -0.32 0.34 0.00 0.00 0.00 179.25 179.47 1x0g n PHE 107 N -4.52 0.73 -4.70 0.00 7.35 -0.43 -4.96 117.46 110.93 1x0g n PHE 107 Ca 0.15 0.21 -0.33 0.00 -0.76 0.00 0.00 57.45 56.72 1x0g n PHE 107 Cb 0.27 -0.79 -0.13 0.00 0.35 0.00 0.00 39.48 39.18 1x0g n PHE 107 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1x0g s ARG 108 N -3.13 3.09 -0.24 -4.13 1.81 -1.06 -5.12 118.95 110.17 1x0g s ARG 108 Ca 0.08 -0.63 -0.02 0.00 -1.72 0.00 0.00 55.73 53.45 1x0g s ARG 108 Cb 0.13 -2.61 0.07 0.00 -0.45 0.00 0.00 34.95 32.09 1x0g s ARG 108 CO 0.66 0.42 0.05 0.08 -0.68 0.00 0.00 175.30 175.83 1x0g s VAL 109 N -0.16 0.73 -1.16 3.52 1.01 -1.26 -4.93 120.40 118.15 1x0g s VAL 109 Ca 0.01 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.15 1x0g s VAL 109 Cb -0.13 -1.33 0.07 0.00 0.00 0.00 0.00 36.38 34.99 1x0g s VAL 109 CO 0.03 -0.38 0.79 -1.54 0.00 0.00 0.00 175.10 174.01