#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1woh s PRO 4 N 0.00 3.47 0.06 1.61 0.04 -1.26 -5.05 135.00 133.87 1woh s PRO 4 Ca 0.00 1.54 0.03 0.00 0.04 0.00 0.00 61.00 62.61 1woh s PRO 4 Cb 0.00 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1woh s PRO 4 CO 0.00 -0.73 0.03 0.00 0.04 0.00 0.00 177.00 176.34 1woh s ALA 5 N -1.84 3.40 0.72 8.56 0.00 -1.26 -5.11 121.76 126.23 1woh s ALA 5 Ca 0.71 -1.02 -0.13 0.00 0.00 0.00 0.00 51.96 51.52 1woh s ALA 5 Cb -0.22 -1.34 0.03 0.00 0.00 0.00 0.00 23.12 21.59 1woh s ALA 5 CO 0.25 0.70 1.10 -1.01 0.00 0.00 0.00 175.76 176.80 1woh s HIS 6 N -1.27 2.60 0.54 0.00 3.76 -1.26 -5.05 115.29 114.62 1woh s HIS 6 Ca 0.25 1.55 -0.02 0.00 -0.15 0.00 0.00 55.06 56.69 1woh s HIS 6 Cb -0.12 -3.11 0.02 0.00 1.11 0.00 0.00 32.58 30.48 1woh s HIS 6 CO 0.17 -1.74 0.80 -0.51 -0.85 0.00 0.00 174.74 172.61 1woh s LEU 7 N -5.39 3.34 0.35 0.89 2.01 -1.26 -4.95 118.68 113.67 1woh s LEU 7 Ca 0.64 0.33 0.10 0.00 0.01 0.00 0.00 54.13 55.21 1woh s LEU 7 Cb -0.19 -3.17 0.85 0.00 0.01 0.00 0.00 46.19 43.69 1woh s LEU 7 CO 0.49 -1.02 1.83 -0.65 1.01 0.00 0.00 176.35 178.01 1woh h PRO 8 N 0.05 0.64 -0.13 1.29 0.11 -1.97 -0.44 132.00 131.55 1woh h PRO 8 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1woh h PRO 8 Cb 1.27 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1woh h PRO 8 CO 0.57 0.42 0.00 2.48 -0.21 0.00 0.00 178.00 181.26 1woh n TYR 9 N -4.62 0.17 -4.21 0.65 4.11 -1.26 -4.86 117.16 107.14 1woh n TYR 9 Ca 0.20 -0.08 -0.27 0.00 -0.00 0.00 0.00 57.90 57.75 1woh n TYR 9 Cb 0.56 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.82 1woh n TYR 9 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1woh s GLY 10 N -1.28 1.74 0.00 -7.48 0.00 -0.17 -5.05 107.32 95.07 1woh s GLY 10 Ca 0.21 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.56 1woh s GLY 10 CO 0.16 -1.38 0.00 0.61 0.00 0.00 0.00 173.10 172.49 1woh n GLY 11 N -0.08 -1.58 3.72 0.20 0.00 -1.26 -4.70 105.19 101.49 1woh n GLY 11 Ca -0.10 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 1woh n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1woh s ILE 12 N -1.86 4.42 -0.82 -0.61 -1.09 -1.26 -4.98 121.20 114.99 1woh s ILE 12 Ca 0.00 1.81 -0.26 0.00 -2.23 0.00 0.00 60.65 59.98 1woh s ILE 12 Cb 0.00 -4.16 0.03 0.00 -1.58 0.00 0.00 42.46 36.75 1woh s ILE 12 CO 0.00 0.19 1.35 -2.16 -1.23 0.00 0.00 174.94 173.08 1woh s PRO 13 N 0.68 3.30 0.22 2.79 0.04 -1.26 -4.92 135.00 135.85 1woh s PRO 13 Ca 0.53 -0.49 0.09 0.00 0.04 0.00 0.00 61.00 61.17 1woh s PRO 13 Cb -0.25 -4.55 -0.04 0.00 0.04 0.00 0.00 34.50 29.70 1woh s PRO 13 CO 0.30 -2.19 -0.02 0.95 0.04 0.00 0.00 177.00 176.08 1woh s THR 14 N 5.61 3.50 0.09 1.26 -4.23 -1.26 -4.72 115.64 115.88 1woh s THR 14 Ca 0.39 -1.71 -0.31 0.00 -1.18 0.00 0.00 61.69 58.88 1woh s THR 14 Cb -0.06 -2.81 -0.10 0.00 1.34 0.00 0.00 72.50 70.87 1woh s THR 14 CO 0.07 -0.25 1.89 0.33 -0.54 0.00 0.00 174.62 176.13 1woh n PHE 15 N -0.50 2.58 -1.89 3.99 7.35 -1.26 -1.38 117.46 126.35 1woh n PHE 15 Ca -0.08 -0.23 -0.19 0.00 -0.76 0.00 0.00 57.45 56.20 1woh n PHE 15 Cb 0.57 -2.76 -0.05 0.00 0.35 0.00 0.00 39.48 37.59 1woh n PHE 15 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1woh n ALA 16 N 6.34 -0.43 -2.09 3.13 0.00 -1.26 -1.28 120.51 124.91 1woh n ALA 16 Ca 0.19 0.24 -0.21 0.00 0.00 0.00 0.00 53.44 53.66 1woh n ALA 16 Cb 0.38 -1.92 -0.04 0.00 0.00 0.00 0.00 19.45 17.87 1woh n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1woh n ARG 17 N -2.52 -1.57 -1.75 0.00 1.74 -0.48 -4.69 116.66 107.40 1woh n ARG 17 Ca -0.20 1.09 -0.32 0.00 -0.77 0.00 0.00 57.85 57.65 1woh n ARG 17 Cb 0.63 -5.63 0.03 0.00 -1.02 0.00 0.00 32.46 26.48 1woh n ARG 17 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1woh s ALA 18 N -2.93 2.71 0.48 7.54 0.00 -0.41 -4.95 121.76 124.20 1woh s ALA 18 Ca 0.00 0.18 -0.23 0.00 0.00 0.00 0.00 51.96 51.92 1woh s ALA 18 Cb 0.00 -3.19 -0.07 0.00 0.00 0.00 0.00 23.12 19.86 1woh s ALA 18 CO 0.00 -1.06 1.20 -1.25 0.00 0.00 0.00 175.76 174.65 1woh s PRO 19 N -4.71 3.62 0.09 0.00 0.04 -1.26 -4.59 135.00 128.19 1woh s PRO 19 Ca 0.60 1.86 -0.26 0.00 0.04 0.00 0.00 61.00 63.24 1woh s PRO 19 Cb -0.14 -2.36 -0.06 0.00 0.04 0.00 0.00 34.50 31.97 1woh s PRO 19 CO 0.49 -0.69 0.79 -1.17 0.04 0.00 0.00 177.00 176.46 1woh s LEU 20 N -3.15 4.50 0.20 -3.56 2.96 -1.26 -1.55 118.68 116.82 1woh s LEU 20 Ca 0.65 1.56 -0.01 0.00 -0.22 0.00 0.00 54.13 56.11 1woh s LEU 20 Cb -0.31 -3.30 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 1woh s LEU 20 CO 0.37 0.07 0.11 0.68 -1.32 0.00 0.00 176.35 176.26 1woh s VAL 21 N -0.41 0.10 0.02 1.68 -7.23 -0.12 -4.93 120.40 109.52 1woh s VAL 21 Ca 0.39 -1.99 -0.09 0.00 -1.81 0.00 0.00 61.98 58.48 1woh s VAL 21 Cb -0.22 -2.44 -0.05 0.00 0.56 0.00 0.00 36.38 34.24 1woh s VAL 21 CO 0.25 -0.09 0.33 -1.10 -0.31 0.00 0.00 175.10 174.19 1woh s GLN 22 N -4.12 3.70 0.26 4.82 -1.52 -1.26 -4.09 119.66 117.45 1woh s GLN 22 Ca 0.36 0.10 -0.01 0.00 -1.95 0.00 0.00 55.36 53.87 1woh s GLN 22 Cb 0.07 -3.08 0.56 0.00 -0.22 0.00 0.00 33.01 30.34 1woh s GLN 22 CO 0.10 0.63 1.72 -1.35 -0.25 0.00 0.00 175.29 176.15 1woh h PRO 23 N 4.09 0.43 -0.59 2.91 0.11 -1.93 -0.05 132.00 136.98 1woh h PRO 23 Ca -0.50 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 1woh h PRO 23 Cb 1.20 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1woh h PRO 23 CO 0.65 0.28 0.05 -0.40 -0.21 0.00 0.00 178.00 178.37 1woh n ASP 24 N -5.01 5.46 -3.87 -2.05 5.75 -1.26 -3.99 116.55 111.58 1woh n ASP 24 Ca 0.17 -3.00 -0.30 0.00 -0.01 0.00 0.00 54.79 51.65 1woh n ASP 24 Cb 0.50 -0.69 0.22 0.00 -1.03 0.00 0.00 41.12 40.12 1woh n ASP 24 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1woh s GLY 25 N -0.92 1.72 -1.24 6.12 0.00 -0.04 -4.95 107.32 108.01 1woh s GLY 25 Ca 0.54 -1.19 -0.11 0.00 0.00 0.00 0.00 44.72 43.96 1woh s GLY 25 CO 0.15 -0.33 1.67 1.34 0.00 0.00 0.00 173.10 175.93 1woh n ASP 26 N -4.25 5.22 -4.12 1.64 2.03 -1.26 -4.94 116.55 110.86 1woh n ASP 26 Ca 0.16 -3.07 -0.11 0.00 0.52 0.00 0.00 54.79 52.29 1woh n ASP 26 Cb 0.59 -1.50 -0.09 0.00 -0.72 0.00 0.00 41.12 39.41 1woh n ASP 26 CO 0.00 0.00 0.00 -1.66 -1.92 0.00 0.00 177.20 173.62 1woh s TRP 27 N 0.65 0.85 -0.20 -0.67 1.48 -1.26 -5.13 118.94 114.67 1woh s TRP 27 Ca 0.40 -1.14 -0.18 0.00 -1.06 0.00 0.00 56.10 54.12 1woh s TRP 27 Cb 0.04 -0.33 0.05 0.00 -1.16 0.00 0.00 33.47 32.08 1woh s TRP 27 CO 0.01 -0.71 0.52 -0.65 -4.06 0.00 0.00 176.95 172.06 1woh s GLN 28 N -4.09 0.60 0.11 3.25 -0.21 -1.26 -4.85 119.66 113.21 1woh s GLN 28 Ca 0.31 0.75 -0.22 0.00 0.02 0.00 0.00 55.36 56.22 1woh s GLN 28 Cb 0.05 0.27 0.06 0.00 1.00 0.00 0.00 33.01 34.39 1woh s GLN 28 CO 0.09 -0.08 0.54 0.00 -2.12 0.00 0.00 175.29 173.72 1woh s ALA 29 N 0.38 -1.40 0.12 6.09 0.00 -1.04 -5.01 121.76 120.91 1woh s ALA 29 Ca -0.01 0.46 -0.16 0.00 0.00 0.00 0.00 51.96 52.25 1woh s ALA 29 Cb -0.04 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.73 1woh s ALA 29 CO -0.01 -0.65 1.61 -0.44 0.00 0.00 0.00 175.76 176.27 1woh h ASP 30 N 2.33 0.58 -4.40 0.00 3.32 -1.76 -3.13 116.42 113.36 1woh h ASP 30 Ca -0.33 -0.24 -0.59 0.00 0.02 0.00 0.00 57.03 55.89 1woh h ASP 30 Cb 1.26 -0.15 -0.29 0.00 0.22 0.00 0.00 39.33 40.37 1woh h ASP 30 CO 0.41 0.67 -0.85 -0.69 -1.72 0.00 0.00 179.24 177.06 1woh s VAL 31 N -5.25 1.56 -0.02 -1.35 1.01 -0.29 -1.03 120.40 115.03 1woh s VAL 31 Ca -0.13 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1woh s VAL 31 Cb 0.10 -1.30 0.02 0.00 0.00 0.00 0.00 36.38 35.20 1woh s VAL 31 CO 0.77 0.43 0.01 0.00 0.00 0.00 0.00 175.10 176.31 1woh s ALA 32 N -0.47 0.16 0.00 5.51 0.00 -1.08 -1.13 121.76 124.75 1woh s ALA 32 Ca 0.08 0.21 -0.05 0.00 0.00 0.00 0.00 51.96 52.20 1woh s ALA 32 Cb -0.08 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1woh s ALA 32 CO -0.01 -0.08 0.23 0.00 0.00 0.00 0.00 175.76 175.90 1woh s ALA 33 N 0.90 3.90 -0.07 0.00 0.00 0.02 -0.28 121.76 126.23 1woh s ALA 33 Ca -0.08 -0.67 -0.03 0.00 0.00 0.00 0.00 51.96 51.18 1woh s ALA 33 Cb -0.11 -1.97 0.04 0.00 0.00 0.00 0.00 23.12 21.07 1woh s ALA 33 CO -0.02 0.70 0.13 -1.17 0.00 0.00 0.00 175.76 175.40 1woh s LEU 34 N -1.86 0.26 0.11 0.00 2.96 -0.03 -0.31 118.68 119.80 1woh s LEU 34 Ca 0.28 0.26 -0.08 0.00 -0.22 0.00 0.00 54.13 54.36 1woh s LEU 34 Cb -0.13 0.19 -0.06 0.00 0.50 0.00 0.00 46.19 46.70 1woh s LEU 34 CO 0.17 -0.21 0.40 -0.83 -1.32 0.00 0.00 176.35 174.56 1woh s GLY 35 N 1.89 2.30 -0.48 7.98 0.00 -0.03 -1.23 107.32 117.74 1woh s GLY 35 Ca -0.01 -0.44 0.03 0.00 0.00 0.00 0.00 44.72 44.31 1woh s GLY 35 CO -0.05 -0.27 0.34 0.14 0.00 0.00 0.00 173.10 173.26 1woh s VAL 36 N -1.51 1.17 -1.28 1.40 1.01 0.75 -1.08 120.40 120.87 1woh s VAL 36 Ca 0.36 -2.93 -0.12 0.00 0.00 0.00 0.00 61.98 59.29 1woh s VAL 36 Cb -0.13 -1.80 -0.06 0.00 0.00 0.00 0.00 36.38 34.39 1woh s VAL 36 CO 0.20 -1.08 2.39 -0.81 0.00 0.00 0.00 175.10 175.80 1woh n PRO 37 N 2.91 2.72 -4.40 2.72 -0.04 -1.26 -3.14 135.00 134.51 1woh n PRO 37 Ca 0.21 -2.10 -0.33 0.00 -0.04 0.00 0.00 63.50 61.24 1woh n PRO 37 Cb 0.41 -2.89 -0.16 0.00 -0.04 0.00 0.00 33.50 30.82 1woh n PRO 37 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1woh s PHE 38 N 3.23 2.74 0.00 0.54 5.36 -1.26 -4.70 117.98 123.89 1woh s PHE 38 Ca 0.54 -1.42 0.00 0.00 -0.96 0.00 0.00 56.93 55.09 1woh s PHE 38 Cb 0.15 -1.88 0.00 0.00 -0.34 0.00 0.00 43.02 40.95 1woh s PHE 38 CO -0.03 -0.68 0.87 -0.40 -1.46 0.00 0.00 175.22 173.53 1woh n ASP 39 N 4.32 0.00 -0.19 6.13 5.68 -1.26 -0.05 116.55 131.18 1woh n ASP 39 Ca -0.20 -1.76 0.12 0.00 -0.50 0.00 0.00 54.79 52.45 1woh n ASP 39 Cb 0.51 -0.15 0.61 0.00 -1.14 0.00 0.00 41.12 40.95 1woh n ASP 39 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1woh n ILE 40 N 0.00 0.04 1.00 2.12 -5.35 -1.26 -3.41 119.36 112.51 1woh n ILE 40 Ca 0.00 -0.11 0.10 0.00 -0.27 0.00 0.00 62.75 62.47 1woh n ILE 40 Cb 0.65 -0.08 -0.08 0.00 -1.74 0.00 0.00 39.64 38.40 1woh n ILE 40 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1woh n ALA 41 N -0.46 4.61 -1.69 -1.28 0.00 -1.26 -4.96 120.51 115.47 1woh n ALA 41 Ca 0.18 -0.57 -0.32 0.00 0.00 0.00 0.00 53.44 52.72 1woh n ALA 41 Cb 0.18 -0.81 0.01 0.00 0.00 0.00 0.00 19.45 18.83 1woh n ALA 41 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1woh s LEU 42 N -2.99 3.44 0.00 0.00 0.05 -1.22 -2.91 118.68 115.06 1woh s LEU 42 Ca 0.09 1.72 0.24 0.00 0.05 0.00 0.00 54.13 56.23 1woh s LEU 42 Cb 0.16 -4.52 0.34 0.00 -2.05 0.00 0.00 46.19 40.12 1woh s LEU 42 CO 0.84 -1.10 1.35 0.61 -0.55 0.00 0.00 176.35 177.50 1woh n GLY 43 N -1.35 1.11 0.00 -3.48 0.00 -1.26 -4.93 105.19 95.29 1woh n GLY 43 Ca 0.08 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1woh n GLY 43 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1woh n PHE 44 N 1.28 0.00 -3.49 1.61 -0.00 -1.26 -5.09 117.46 110.50 1woh n PHE 44 Ca 0.16 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.20 1woh n PHE 44 Cb 0.58 0.00 -0.10 0.00 -0.00 0.00 0.00 39.48 39.95 1woh n PHE 44 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1woh s ARG 45 N 0.65 3.48 0.97 -4.13 0.52 -1.26 -5.08 118.95 114.09 1woh s ARG 45 Ca 0.00 -0.61 -0.12 0.00 -0.52 0.00 0.00 55.73 54.48 1woh s ARG 45 Cb 0.00 -3.82 0.17 0.00 0.52 0.00 0.00 34.95 31.82 1woh s ARG 45 CO 0.00 -0.49 1.09 -2.14 0.02 0.00 0.00 175.30 173.78 1woh s PRO 46 N 1.80 0.69 0.00 3.54 0.02 -1.26 -4.43 135.00 135.36 1woh s PRO 46 Ca 0.08 0.68 0.00 0.00 0.02 0.00 0.00 61.00 61.78 1woh s PRO 46 Cb -0.17 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.59 1woh s PRO 46 CO 0.11 -2.59 0.00 0.41 -0.33 0.00 0.00 177.00 174.59 1woh n GLY 47 N -0.96 1.16 0.19 0.52 0.00 -1.26 -4.94 105.19 99.90 1woh n GLY 47 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 1woh n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1woh h ALA 48 N 0.00 1.00 0.00 4.61 0.00 -1.85 -0.44 119.26 122.58 1woh h ALA 48 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1woh h ALA 48 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1woh h ALA 48 CO 0.00 0.00 -0.09 0.07 0.00 0.00 0.00 179.25 179.23 1woh h ARG 49 N 0.00 0.00 -0.01 0.00 0.11 -1.84 0.03 114.38 112.68 1woh h ARG 49 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1woh h ARG 49 Cb 0.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.12 1woh h ARG 49 CO 0.00 0.09 -0.19 1.19 0.10 0.00 0.00 179.97 181.16 1woh n PHE 50 N -3.44 0.00 -0.18 4.08 3.72 -0.17 -4.40 117.46 117.07 1woh n PHE 50 Ca -0.01 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.31 1woh n PHE 50 Cb 0.25 -0.08 0.01 0.00 -0.94 0.00 0.00 39.48 38.72 1woh n PHE 50 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1woh h ALA 51 N 3.90 0.67 -0.96 4.37 0.00 -1.32 -1.82 119.26 124.10 1woh h ALA 51 Ca 0.00 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1woh h ALA 51 Cb 0.53 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1woh h ALA 51 CO 0.00 0.27 0.63 -1.35 0.00 0.00 0.00 179.25 178.80 1woh h PRO 52 N 0.69 1.17 -0.36 0.00 0.11 -1.75 0.10 132.00 131.97 1woh h PRO 52 Ca 0.17 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.15 1woh h PRO 52 Cb 0.19 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 1woh h PRO 52 CO -0.02 0.78 -0.04 -0.09 -0.21 0.00 0.00 178.00 178.42 1woh h ARG 53 N 1.21 0.65 -0.81 1.05 2.43 -1.82 -1.50 114.38 115.59 1woh h ARG 53 Ca 0.39 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1woh h ARG 53 Cb 0.01 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 1woh h ARG 53 CO -0.13 0.79 0.40 0.00 -1.51 0.00 0.00 179.97 179.52 1woh h ALA 54 N 0.84 1.04 -0.49 2.80 0.00 -0.84 -1.48 119.26 121.14 1woh h ALA 54 Ca 0.10 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1woh h ALA 54 Cb 0.52 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1woh h ALA 54 CO 0.03 0.59 -0.12 -0.07 0.00 0.00 0.00 179.25 179.68 1woh h LEU 55 N 1.14 0.91 -0.25 0.00 3.38 -0.70 0.04 115.31 119.83 1woh h LEU 55 Ca 0.28 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1woh h LEU 55 Cb 0.10 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1woh h LEU 55 CO -0.04 1.03 0.10 0.03 0.09 0.00 0.00 178.44 179.65 1woh h ARG 56 N 0.81 0.37 -0.46 1.13 3.08 -0.92 0.14 114.38 118.53 1woh h ARG 56 Ca 0.13 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1woh h ARG 56 Cb 0.65 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 1woh h ARG 56 CO 0.05 0.41 0.29 0.93 -1.07 0.00 0.00 179.97 180.57 1woh h GLU 57 N 0.25 0.61 -0.17 0.04 5.08 -1.10 -2.46 114.58 116.83 1woh h GLU 57 Ca 0.08 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1woh h GLU 57 Cb 0.18 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1woh h GLU 57 CO -0.01 0.43 -0.15 0.00 -1.00 0.00 0.00 179.01 178.28 1woh h ALA 58 N 1.14 1.43 0.00 3.43 0.00 -0.77 -2.33 119.26 122.16 1woh h ALA 58 Ca 0.17 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1woh h ALA 58 Cb -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1woh h ALA 58 CO -0.03 0.40 0.00 -1.13 0.00 0.00 0.00 179.25 178.49 1woh n SER 59 N -4.24 0.58 0.12 0.00 3.41 0.47 -1.45 113.62 112.51 1woh n SER 59 Ca -0.01 0.70 0.11 0.00 -0.26 0.00 0.00 58.87 59.42 1woh n SER 59 Cb 0.30 -0.80 0.47 0.00 -0.26 0.00 0.00 64.21 63.92 1woh n SER 59 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1woh n LEU 60 N -2.21 0.58 -0.13 1.04 4.77 -0.88 -0.88 117.00 119.31 1woh n LEU 60 Ca 0.00 0.65 0.12 0.00 -0.03 0.00 0.00 56.01 56.76 1woh n LEU 60 Cb 0.13 -0.58 0.29 0.00 -2.33 0.00 0.00 43.42 40.93 1woh n LEU 60 CO 0.14 -0.55 0.53 0.54 -1.33 0.00 0.00 177.39 176.73 1woh n ARG 61 N -2.15 0.44 -2.87 3.23 5.12 -0.53 -4.32 116.66 115.59 1woh n ARG 61 Ca 0.02 -0.27 -0.18 0.00 -1.93 0.00 0.00 57.85 55.50 1woh n ARG 61 Cb 0.21 -1.49 -0.01 0.00 -1.16 0.00 0.00 32.46 30.01 1woh n ARG 61 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1woh n SER 62 N -1.05 2.20 -4.71 0.55 7.64 -0.06 -5.09 113.62 113.10 1woh n SER 62 Ca 0.09 -3.12 -0.41 0.00 1.01 0.00 0.00 58.87 56.43 1woh n SER 62 Cb 0.34 -0.56 -0.03 0.00 -1.01 0.00 0.00 64.21 62.95 1woh n SER 62 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1woh s VAL 63 N -3.45 4.91 0.74 0.44 1.01 -1.17 -4.88 120.40 117.98 1woh s VAL 63 Ca 0.38 1.91 -0.11 0.00 0.00 0.00 0.00 61.98 64.16 1woh s VAL 63 Cb 0.38 -4.25 0.03 0.00 0.00 0.00 0.00 36.38 32.54 1woh s VAL 63 CO -0.07 0.18 1.08 -2.16 0.00 0.00 0.00 175.10 174.14 1woh s PRO 64 N 0.94 2.59 0.97 2.72 0.04 -1.26 -4.71 135.00 136.30 1woh s PRO 64 Ca 0.48 0.73 -0.16 0.00 0.04 0.00 0.00 61.00 62.09 1woh s PRO 64 Cb -0.20 -1.97 0.19 0.00 0.04 0.00 0.00 34.50 32.56 1woh s PRO 64 CO 0.26 -1.28 1.28 -1.25 0.04 0.00 0.00 177.00 176.04 1woh s PRO 65 N -5.15 0.58 -0.12 0.56 0.04 -1.26 -5.11 135.00 124.54 1woh s PRO 65 Ca 0.59 -0.29 0.01 0.00 0.04 0.00 0.00 61.00 61.36 1woh s PRO 65 Cb -0.14 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.59 1woh s PRO 65 CO 0.54 -2.47 -0.15 -0.06 0.04 0.00 0.00 177.00 174.90 1woh s PHE 66 N -3.73 1.98 -0.31 0.56 0.40 -0.53 -4.97 117.98 111.39 1woh s PHE 66 Ca 0.72 -0.97 -0.10 0.00 -0.60 0.00 0.00 56.93 55.98 1woh s PHE 66 Cb -0.06 -1.44 -0.01 0.00 0.51 0.00 0.00 43.02 42.02 1woh s PHE 66 CO 0.53 -0.51 0.16 0.99 0.70 0.00 0.00 175.22 177.08 1woh s THR 67 N 1.11 4.69 0.67 0.64 2.01 -1.26 -0.40 115.64 123.09 1woh s THR 67 Ca -0.04 -0.34 -0.11 0.00 0.31 0.00 0.00 61.69 61.51 1woh s THR 67 Cb -0.14 -3.37 0.15 0.00 0.01 0.00 0.00 72.50 69.15 1woh s THR 67 CO -0.03 0.09 0.91 0.61 -0.69 0.00 0.00 174.62 175.51 1woh n GLY 68 N 4.99 -1.26 0.32 4.40 0.00 0.02 -4.90 105.19 108.76 1woh n GLY 68 Ca -0.14 -1.72 0.04 0.00 0.00 0.00 0.00 46.02 44.20 1woh n GLY 68 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1woh h LEU 69 N 0.00 0.52 0.00 0.99 5.85 -1.98 -1.31 115.31 119.38 1woh h LEU 69 Ca -0.29 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1woh h LEU 69 Cb 0.83 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1woh h LEU 69 CO 0.21 0.37 0.00 -0.90 -0.34 0.00 0.00 178.44 177.78 1woh n ASP 70 N -4.47 0.00 0.00 1.25 5.68 -1.26 -4.86 116.55 112.89 1woh n ASP 70 Ca 0.04 -1.01 0.00 0.00 -0.50 0.00 0.00 54.79 53.33 1woh n ASP 70 Cb 0.07 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 1woh n ASP 70 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1woh n GLY 71 N 0.53 1.51 3.86 6.12 0.00 -0.49 -5.03 105.19 111.68 1woh n GLY 71 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1woh n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1woh s LYS 72 N -0.18 3.93 -0.06 1.61 1.02 -1.26 -4.79 119.74 120.00 1woh s LYS 72 Ca 0.00 0.49 0.02 0.00 0.02 0.00 0.00 55.97 56.50 1woh s LYS 72 Cb 0.00 -2.59 -0.03 0.00 -0.52 0.00 0.00 37.83 34.69 1woh s LYS 72 CO 0.00 0.27 -0.09 0.99 -0.92 0.00 0.00 175.35 175.60 1woh s THR 73 N -1.84 3.54 0.09 2.17 2.01 -1.26 -0.80 115.64 119.55 1woh s THR 73 Ca 0.49 -0.57 0.10 0.00 0.31 0.00 0.00 61.69 62.02 1woh s THR 73 Cb -0.11 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 1woh s THR 73 CO 0.19 0.58 -0.25 -0.13 -0.69 0.00 0.00 174.62 174.32 1woh s ARG 74 N -0.84 1.49 -0.80 4.92 0.52 0.46 -4.67 118.95 120.02 1woh s ARG 74 Ca 0.13 -1.21 0.00 0.00 -0.52 0.00 0.00 55.73 54.12 1woh s ARG 74 Cb -0.11 -1.82 0.00 0.00 0.52 0.00 0.00 34.95 33.54 1woh s ARG 74 CO 0.02 0.45 0.00 1.28 0.02 0.00 0.00 175.30 177.06 1woh n LEU 75 N 1.29 -0.47 -4.70 2.53 4.77 -1.26 -1.45 117.00 117.72 1woh n LEU 75 Ca -0.18 0.19 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 1woh n LEU 75 Cb 0.53 -1.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.06 1woh n LEU 75 CO 0.23 -0.48 1.24 -1.58 -1.33 0.00 0.00 177.39 175.47 1woh s GLN 76 N -2.43 4.23 0.00 3.23 2.00 -1.26 -1.93 119.66 123.50 1woh s GLN 76 Ca 0.00 2.24 0.00 0.00 -2.00 0.00 0.00 55.36 55.60 1woh s GLN 76 Cb 0.00 -3.47 0.00 0.00 0.80 0.00 0.00 33.01 30.34 1woh s GLN 76 CO 0.00 -0.65 0.00 0.41 -0.50 0.00 0.00 175.29 174.55 1woh n GLY 77 N 3.83 1.85 3.67 2.59 0.00 -1.26 -4.99 105.19 110.88 1woh n GLY 77 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1woh n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1woh s VAL 78 N -3.49 4.67 0.27 1.61 1.01 -0.81 -5.02 120.40 118.64 1woh s VAL 78 Ca 0.00 1.98 -0.15 0.00 0.00 0.00 0.00 61.98 63.81 1woh s VAL 78 Cb 0.00 -4.28 -0.08 0.00 0.00 0.00 0.00 36.38 32.02 1woh s VAL 78 CO 0.00 -0.11 0.68 0.42 0.00 0.00 0.00 175.10 176.09 1woh s THR 79 N 2.80 4.72 0.13 3.92 -4.23 -1.26 -4.97 115.64 116.75 1woh s THR 79 Ca 0.47 0.91 0.07 0.00 -1.18 0.00 0.00 61.69 61.95 1woh s THR 79 Cb -0.17 -3.66 -0.04 0.00 1.34 0.00 0.00 72.50 69.97 1woh s THR 79 CO 0.11 -0.06 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.61 1woh s PHE 80 N -1.83 1.54 -0.02 3.99 0.40 -1.26 -1.13 117.98 119.67 1woh s PHE 80 Ca 0.50 -0.52 -0.08 0.00 -0.60 0.00 0.00 56.93 56.23 1woh s PHE 80 Cb -0.12 -0.80 0.01 0.00 0.51 0.00 0.00 43.02 42.62 1woh s PHE 80 CO 0.19 0.20 0.17 0.00 0.70 0.00 0.00 175.22 176.48 1woh s ALA 81 N -2.01 -0.42 -0.27 5.36 0.00 -0.28 -4.32 121.76 119.81 1woh s ALA 81 Ca 0.10 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.21 1woh s ALA 81 Cb -0.06 -0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.08 1woh s ALA 81 CO 0.04 -0.17 -0.06 0.34 0.00 0.00 0.00 175.76 175.90 1woh s ASP 82 N -0.88 4.56 -0.02 0.00 -1.08 -0.59 -0.80 116.67 117.85 1woh s ASP 82 Ca -0.10 -1.25 0.05 0.00 -0.52 0.00 0.00 52.55 50.73 1woh s ASP 82 Cb -0.05 -1.63 0.19 0.00 -1.46 0.00 0.00 42.92 39.97 1woh s ASP 82 CO 0.01 -0.20 1.02 0.00 0.52 0.00 0.00 175.17 176.52 1woh n ALA 83 N 4.54 2.62 -0.38 3.66 0.00 0.57 -0.94 120.51 130.58 1woh n ALA 83 Ca -0.14 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1woh n ALA 83 Cb 0.43 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1woh n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1woh n GLY 84 N 0.56 -0.09 3.59 0.00 0.00 -1.26 -4.19 105.19 103.80 1woh n GLY 84 Ca 0.07 -0.99 -0.27 0.00 0.00 0.00 0.00 46.02 44.83 1woh n GLY 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1woh s ASP 85 N -4.00 4.35 0.24 1.61 1.01 -1.26 -0.85 116.67 117.77 1woh s ASP 85 Ca 0.00 -0.54 -0.30 0.00 0.71 0.00 0.00 52.55 52.42 1woh s ASP 85 Cb 0.00 -0.78 -0.10 0.00 1.01 0.00 0.00 42.92 43.06 1woh s ASP 85 CO 0.00 0.10 1.38 -0.69 0.21 0.00 0.00 175.17 176.17 1woh s VAL 86 N -1.69 2.85 -0.68 -1.27 1.01 -0.24 -4.90 120.40 115.48 1woh s VAL 86 Ca 0.25 0.72 -0.27 0.00 0.00 0.00 0.00 61.98 62.69 1woh s VAL 86 Cb -0.09 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.86 1woh s VAL 86 CO 0.16 0.12 1.22 -0.63 0.00 0.00 0.00 175.10 175.96 1woh s ILE 87 N -0.09 3.88 0.15 2.22 1.01 -1.26 -4.80 121.20 122.31 1woh s ILE 87 Ca 0.57 0.51 -0.07 0.00 0.00 0.00 0.00 60.65 61.67 1woh s ILE 87 Cb -0.40 -4.83 -0.06 0.00 0.01 0.00 0.00 42.46 37.18 1woh s ILE 87 CO 0.43 -1.64 0.43 -0.76 0.00 0.00 0.00 174.94 173.39 1woh s LEU 88 N 5.31 4.26 0.00 2.97 1.43 -1.26 -4.99 118.68 126.39 1woh s LEU 88 Ca 0.37 0.71 -0.05 0.00 -1.03 0.00 0.00 54.13 54.13 1woh s LEU 88 Cb -0.09 -3.35 0.17 0.00 0.03 0.00 0.00 46.19 42.96 1woh s LEU 88 CO 0.18 0.04 1.12 -0.81 0.23 0.00 0.00 176.35 177.11 1woh n PRO 89 N 0.18 -0.48 -3.50 1.29 -0.04 -1.26 -5.06 135.00 126.13 1woh n PRO 89 Ca -0.03 -2.57 -0.38 0.00 -0.04 0.00 0.00 63.50 60.48 1woh n PRO 89 Cb 0.52 -0.89 -0.06 0.00 -0.04 0.00 0.00 33.50 33.03 1woh n PRO 89 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1woh s SER 90 N -5.38 6.79 0.87 3.54 0.01 -1.26 -4.89 113.70 113.38 1woh s SER 90 Ca 0.70 0.94 0.00 0.00 1.31 0.00 0.00 55.95 58.90 1woh s SER 90 Cb -0.03 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.95 1woh s SER 90 CO 0.47 0.31 0.00 0.18 0.41 0.00 0.00 173.24 174.62 1woh n LEU 91 N 1.91 0.00 -3.89 2.44 4.77 -1.26 -4.88 117.00 116.09 1woh n LEU 91 Ca -0.14 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.45 1woh n LEU 91 Cb 0.52 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.64 1woh n LEU 91 CO 0.37 0.00 -0.12 -0.62 -1.33 0.00 0.00 177.39 175.69 1woh n GLU 92 N 14.00 -0.69 -0.35 3.23 -0.58 -1.26 -4.75 120.64 130.24 1woh n GLU 92 Ca 0.00 0.26 0.10 0.00 -0.42 0.00 0.00 57.16 57.10 1woh n GLU 92 Cb 0.00 -3.23 0.28 0.00 -0.57 0.00 0.00 31.44 27.92 1woh n GLU 92 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1woh h PRO 93 N -2.26 0.80 -0.54 3.49 0.13 -1.97 -1.88 132.00 129.77 1woh h PRO 93 Ca -0.69 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.39 1woh h PRO 93 Cb 1.38 -0.18 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1woh h PRO 93 CO 0.50 0.53 0.32 0.37 -0.23 0.00 0.00 178.00 179.48 1woh h GLN 94 N 0.83 0.74 -0.41 0.86 4.15 -1.99 0.37 115.11 119.65 1woh h GLN 94 Ca 0.54 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.86 1woh h GLN 94 Cb 0.73 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.25 1woh h GLN 94 CO -0.34 0.55 0.14 1.25 -1.93 0.00 0.00 178.83 178.50 1woh h LEU 95 N 0.73 0.58 -0.43 -2.39 5.85 -1.78 -1.05 115.31 116.82 1woh h LEU 95 Ca 0.19 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.78 1woh h LEU 95 Cb 0.01 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 1woh h LEU 95 CO -0.03 0.61 0.16 0.00 -0.34 0.00 0.00 178.44 178.83 1woh h ALA 96 N 0.99 0.51 -0.14 1.25 0.00 -1.00 -0.55 119.26 120.32 1woh h ALA 96 Ca 0.13 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1woh h ALA 96 Cb 0.23 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1woh h ALA 96 CO -0.01 -0.23 -0.06 0.45 0.00 0.00 0.00 179.25 179.40 1woh h HIS 97 N 0.33 -0.15 -0.74 0.00 3.86 -0.50 -0.02 115.15 117.93 1woh h HIS 97 Ca 0.20 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1woh h HIS 97 Cb 0.18 0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.70 1woh h HIS 97 CO -0.15 -0.10 0.45 -0.44 0.86 0.00 0.00 177.93 178.55 1woh h ASP 98 N -0.05 0.88 -0.39 2.45 3.32 -0.73 -0.67 116.42 121.23 1woh h ASP 98 Ca 0.08 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 1woh h ASP 98 Cb 0.16 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1woh h ASP 98 CO -0.17 0.68 -0.02 0.03 -1.72 0.00 0.00 179.24 178.03 1woh h ARG 99 N 1.01 0.79 -0.28 3.56 3.08 -0.74 -1.11 114.38 120.69 1woh h ARG 99 Ca 0.27 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1woh h ARG 99 Cb -0.05 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1woh h ARG 99 CO -0.05 0.81 0.08 0.82 -1.07 0.00 0.00 179.97 180.57 1woh h ILE 100 N 0.74 1.20 -0.41 2.04 2.04 -0.47 -1.46 117.51 121.19 1woh h ILE 100 Ca 0.14 -0.65 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 1woh h ILE 100 Cb 0.48 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1woh h ILE 100 CO 0.02 0.22 0.15 0.74 0.00 0.00 0.00 178.15 179.28 1woh h THR 101 N 0.29 1.21 -0.35 -0.27 2.02 -0.93 -1.68 112.91 113.20 1woh h THR 101 Ca 0.09 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 1woh h THR 101 Cb 0.25 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1woh h THR 101 CO -0.00 0.23 0.19 -0.08 0.37 0.00 0.00 175.52 176.23 1woh h GLU 102 N 0.52 0.49 -0.68 6.66 4.57 -1.10 -1.00 114.58 124.04 1woh h GLU 102 Ca 0.14 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 1woh h GLU 102 Cb 0.22 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 1woh h GLU 102 CO -0.01 0.41 0.26 0.00 -1.18 0.00 0.00 179.01 178.49 1woh h ALA 103 N 1.05 0.89 -0.77 2.92 0.00 -1.24 -2.61 119.26 119.50 1woh h ALA 103 Ca 0.12 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1woh h ALA 103 Cb 0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1woh h ALA 103 CO -0.02 0.52 0.29 0.00 0.00 0.00 0.00 179.25 180.05 1woh h ALA 104 N 1.11 1.00 -0.26 0.00 0.00 -1.02 -1.63 119.26 118.47 1woh h ALA 104 Ca 0.23 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1woh h ALA 104 Cb 0.23 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1woh h ALA 104 CO -0.02 0.64 0.16 0.00 0.00 0.00 0.00 179.25 180.03 1woh h ARG 105 N 1.12 0.35 -0.73 0.00 3.08 -1.00 -0.20 114.38 117.00 1woh h ARG 105 Ca 0.25 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.22 1woh h ARG 105 Cb 0.24 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1woh h ARG 105 CO -0.02 0.27 0.23 1.96 -1.07 0.00 0.00 179.97 181.35 1woh h GLN 106 N 0.33 1.13 -0.29 0.04 4.20 -1.27 -1.64 115.11 117.60 1woh h GLN 106 Ca 0.09 -0.24 -0.10 0.00 0.06 0.00 0.00 58.65 58.46 1woh h GLN 106 Cb 0.01 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 1woh h GLN 106 CO -0.02 0.96 -0.22 0.28 -0.67 0.00 0.00 178.83 179.16 1woh h VAL 107 N 1.09 1.30 -0.41 -0.54 2.07 -1.14 -3.14 116.25 115.47 1woh h VAL 107 Ca 0.24 -1.37 0.06 0.00 0.82 0.00 0.00 66.70 66.45 1woh h VAL 107 Cb 0.30 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 1woh h VAL 107 CO -0.01 0.44 0.10 0.03 0.02 0.00 0.00 177.57 178.15 1woh h ARG 108 N 0.41 0.23 0.00 1.57 2.47 -0.80 -1.43 114.38 116.82 1woh h ARG 108 Ca 0.05 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1woh h ARG 108 Cb 0.78 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 1woh h ARG 108 CO 0.06 0.15 0.00 0.41 0.56 0.00 0.00 179.97 181.15 1woh n GLY 109 N -1.25 -0.99 0.35 0.04 0.00 -0.64 -2.83 105.19 99.87 1woh n GLY 109 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1woh n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1woh n ARG 110 N -1.71 1.69 -4.34 1.61 1.74 -0.57 -5.02 116.66 110.05 1woh n ARG 110 Ca 0.02 -0.77 -0.19 0.00 -0.77 0.00 0.00 57.85 56.14 1woh n ARG 110 Cb 0.15 -1.27 -0.09 0.00 -1.02 0.00 0.00 32.46 30.23 1woh n ARG 110 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1woh h ARG 112 N 2.18 0.06 -4.17 0.00 2.43 -1.05 -3.46 114.38 110.37 1woh h ARG 112 Ca -0.33 -0.10 -0.58 0.00 -0.81 0.00 0.00 59.98 58.17 1woh h ARG 112 Cb 1.25 0.04 -0.38 0.00 -0.42 0.00 0.00 29.97 30.45 1woh h ARG 112 CO 0.50 1.05 -0.79 0.08 -1.51 0.00 0.00 179.97 179.30 1woh s VAL 113 N -2.39 1.22 0.18 0.20 1.01 -0.20 -4.85 120.40 115.57 1woh s VAL 113 Ca -0.27 -0.88 -0.23 0.00 0.00 0.00 0.00 61.98 60.60 1woh s VAL 113 Cb 0.05 -1.48 -0.08 0.00 0.00 0.00 0.00 36.38 34.87 1woh s VAL 113 CO 0.64 -0.02 0.74 -2.16 0.00 0.00 0.00 175.10 174.30 1woh s PRO 114 N 1.56 4.43 -0.22 2.72 0.04 -1.26 -2.65 135.00 139.61 1woh s PRO 114 Ca -0.02 1.02 0.01 0.00 0.04 0.00 0.00 61.00 62.05 1woh s PRO 114 Cb -0.17 -3.13 0.04 0.00 0.04 0.00 0.00 34.50 31.27 1woh s PRO 114 CO -0.07 0.52 -0.14 0.08 0.04 0.00 0.00 177.00 177.43 1woh s VAL 115 N -1.27 2.24 -0.23 -0.36 1.01 0.61 -1.95 120.40 120.46 1woh s VAL 115 Ca 0.37 -1.23 -0.08 0.00 0.00 0.00 0.00 61.98 61.04 1woh s VAL 115 Cb -0.21 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1woh s VAL 115 CO 0.24 0.26 0.10 -0.36 0.00 0.00 0.00 175.10 175.34 1woh s PHE 116 N 1.22 3.20 -0.35 5.22 0.40 0.43 -0.85 117.98 127.25 1woh s PHE 116 Ca -0.01 -0.05 -0.10 0.00 -0.60 0.00 0.00 56.93 56.17 1woh s PHE 116 Cb -0.16 -2.21 0.02 0.00 0.51 0.00 0.00 43.02 41.18 1woh s PHE 116 CO -0.08 -0.07 0.17 -0.51 0.70 0.00 0.00 175.22 175.43 1woh s LEU 117 N 1.10 4.51 0.00 -0.37 1.43 -0.37 -0.61 118.68 124.37 1woh s LEU 117 Ca 0.05 -0.93 -0.10 0.00 -1.03 0.00 0.00 54.13 52.12 1woh s LEU 117 Cb -0.14 -1.99 0.18 0.00 0.03 0.00 0.00 46.19 44.27 1woh s LEU 117 CO 0.04 -0.34 1.11 0.61 0.23 0.00 0.00 176.35 178.00 1woh n GLY 118 N 4.96 -0.74 0.00 -3.19 0.00 0.25 -0.18 105.19 106.30 1woh n GLY 118 Ca -0.12 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1woh n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1woh n GLY 119 N -2.61 0.41 3.81 -0.02 0.00 -0.12 -3.30 105.19 103.35 1woh n GLY 119 Ca 0.15 -1.58 -0.29 0.00 0.00 0.00 0.00 46.02 44.30 1woh n GLY 119 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1woh s ASP 120 N -1.06 3.53 0.32 1.61 1.47 0.93 -1.00 116.67 122.47 1woh s ASP 120 Ca 0.00 0.88 0.24 0.00 1.18 0.00 0.00 52.55 54.84 1woh s ASP 120 Cb 0.00 -1.39 1.17 0.00 -0.34 0.00 0.00 42.92 42.36 1woh s ASP 120 CO 0.00 -2.53 1.72 -0.74 0.68 0.00 0.00 175.17 174.30 1woh h HIS 121 N -1.49 0.00 0.00 2.11 -0.00 -1.90 -2.73 115.15 111.14 1woh h HIS 121 Ca -0.49 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 59.88 1woh h HIS 121 Cb 1.32 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.73 1woh h HIS 121 CO 0.10 0.00 -0.01 0.66 -0.00 0.00 0.00 177.93 178.68 1woh h SER 122 N 0.00 0.00 0.75 3.26 4.64 -1.80 -2.06 113.55 118.33 1woh h SER 122 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1woh h SER 122 Cb 0.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1woh h SER 122 CO 0.00 0.01 -0.07 -0.37 -0.87 0.00 0.00 176.83 175.53 1woh h VAL 123 N 0.00 0.21 -0.23 0.95 -1.51 -1.84 -2.91 116.25 110.93 1woh h VAL 123 Ca -0.00 -0.57 0.01 0.00 -1.23 0.00 0.00 66.70 64.90 1woh h VAL 123 Cb 0.14 1.47 -0.01 0.00 -2.13 0.00 0.00 31.29 30.76 1woh h VAL 123 CO 0.00 0.07 0.15 0.28 -1.23 0.00 0.00 177.57 176.84 1woh h SER 124 N 0.00 0.25 0.57 4.19 0.02 -1.62 -1.72 113.55 115.25 1woh h SER 124 Ca -0.00 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1woh h SER 124 Cb 0.46 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 62.94 1woh h SER 124 CO 0.01 0.18 -0.28 0.22 -1.14 0.00 0.00 176.83 175.82 1woh h TYR 125 N 0.29 -0.71 0.00 3.45 3.20 -1.70 0.24 116.97 121.75 1woh h TYR 125 Ca 0.09 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1woh h TYR 125 Cb -0.01 0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 1woh h TYR 125 CO -0.00 -0.44 -0.04 -1.00 -1.64 0.00 0.00 178.16 175.04 1woh h PRO 126 N -0.80 0.00 -0.11 1.82 0.13 -1.72 -2.22 132.00 129.10 1woh h PRO 126 Ca -0.08 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.03 1woh h PRO 126 Cb 0.59 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.72 1woh h PRO 126 CO 0.13 0.04 -0.02 -0.07 -0.23 0.00 0.00 178.00 177.84 1woh h LEU 127 N 0.00 0.21 -1.76 1.56 4.07 -1.13 -3.15 115.31 115.11 1woh h LEU 127 Ca -0.00 -0.36 -0.03 0.00 0.08 0.00 0.00 57.88 57.57 1woh h LEU 127 Cb 0.10 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 41.78 1woh h LEU 127 CO 0.00 0.52 -0.15 -0.07 -1.08 0.00 0.00 178.44 177.67 1woh h LEU 128 N -0.10 0.00 -2.42 1.67 3.38 -0.33 -2.19 115.31 115.31 1woh h LEU 128 Ca 0.03 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1woh h LEU 128 Cb 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1woh h LEU 128 CO 0.01 0.15 0.08 0.03 0.09 0.00 0.00 178.44 178.80 1woh h ARG 129 N 0.00 0.00 0.00 1.13 3.08 -1.45 0.22 114.38 117.36 1woh h ARG 129 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1woh h ARG 129 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1woh h ARG 129 CO 0.02 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.92 1woh n ALA 130 N -2.29 2.28 -1.07 0.04 0.00 -0.82 -2.69 120.51 115.96 1woh n ALA 130 Ca -0.01 -0.13 0.10 0.00 0.00 0.00 0.00 53.44 53.39 1woh n ALA 130 Cb 0.17 -1.37 0.16 0.00 0.00 0.00 0.00 19.45 18.42 1woh n ALA 130 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1woh n PHE 131 N -1.09 0.16 0.19 0.00 3.01 0.76 -4.76 117.46 115.73 1woh n PHE 131 Ca 0.15 -0.99 0.12 0.00 1.01 0.00 0.00 57.45 57.74 1woh n PHE 131 Cb 0.11 -0.18 0.64 0.00 -0.01 0.00 0.00 39.48 40.04 1woh n PHE 131 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1woh h ALA 132 N 0.31 1.03 0.00 4.37 0.00 -1.58 -1.59 119.26 121.80 1woh h ALA 132 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1woh h ALA 132 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1woh h ALA 132 CO 0.04 -0.03 -0.84 -0.40 0.00 0.00 0.00 179.25 178.02 1woh n ASP 133 N -2.34 0.64 -4.66 0.00 5.68 -1.26 -4.73 116.55 109.88 1woh n ASP 133 Ca -0.02 -0.11 -0.42 0.00 -0.50 0.00 0.00 54.79 53.74 1woh n ASP 133 Cb 0.08 0.53 -0.03 0.00 -1.14 0.00 0.00 41.12 40.56 1woh n ASP 133 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1woh s VAL 134 N -3.16 3.75 0.25 2.12 1.01 -0.60 -4.97 120.40 118.80 1woh s VAL 134 Ca 0.05 0.90 -0.30 0.00 0.00 0.00 0.00 61.98 62.63 1woh s VAL 134 Cb 0.14 -3.61 -0.09 0.00 0.00 0.00 0.00 36.38 32.82 1woh s VAL 134 CO 0.77 -0.11 1.22 -2.16 0.00 0.00 0.00 175.10 174.82 1woh s PRO 135 N 4.02 4.48 -1.30 2.72 0.04 -1.26 -3.48 135.00 140.20 1woh s PRO 135 Ca 0.69 1.98 -0.14 0.00 0.04 0.00 0.00 61.00 63.57 1woh s PRO 135 Cb -0.30 -3.17 0.01 0.00 0.04 0.00 0.00 34.50 31.08 1woh s PRO 135 CO 0.26 -0.06 0.53 -0.25 0.04 0.00 0.00 177.00 177.52 1woh n ASP 136 N 1.71 -2.47 -4.69 6.66 8.00 -1.23 -4.68 116.55 119.86 1woh n ASP 136 Ca 0.02 -1.12 -0.42 0.00 0.71 0.00 0.00 54.79 53.98 1woh n ASP 136 Cb 0.43 -2.63 -0.03 0.00 -0.02 0.00 0.00 41.12 38.87 1woh n ASP 136 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1woh s LEU 137 N -6.99 4.32 -0.05 0.64 2.96 0.11 -4.21 118.68 115.46 1woh s LEU 137 Ca 0.25 2.16 0.02 0.00 -0.22 0.00 0.00 54.13 56.34 1woh s LEU 137 Cb -0.11 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 1woh s LEU 137 CO 0.92 -0.74 -0.08 -1.00 -1.32 0.00 0.00 176.35 174.12 1woh s HIS 138 N 2.47 2.88 -0.12 5.38 3.76 0.42 -1.88 115.29 128.20 1woh s HIS 138 Ca 0.65 -0.02 0.01 0.00 -0.15 0.00 0.00 55.06 55.55 1woh s HIS 138 Cb -0.32 -1.67 -0.01 0.00 1.11 0.00 0.00 32.58 31.68 1woh s HIS 138 CO 0.27 0.32 -0.16 0.08 -0.85 0.00 0.00 174.74 174.40 1woh s VAL 139 N -0.84 2.78 -0.31 -0.90 1.01 -0.35 -0.87 120.40 120.93 1woh s VAL 139 Ca 0.13 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.27 1woh s VAL 139 Cb -0.11 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.13 1woh s VAL 139 CO 0.03 0.53 0.11 -0.69 0.00 0.00 0.00 175.10 175.08 1woh s VAL 140 N 0.34 4.20 -0.21 2.92 1.01 -0.44 -0.11 120.40 128.11 1woh s VAL 140 Ca -0.13 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 1woh s VAL 140 Cb -0.16 -3.17 -0.00 0.00 0.00 0.00 0.00 36.38 33.04 1woh s VAL 140 CO 0.07 0.05 -0.08 -1.58 0.00 0.00 0.00 175.10 173.56 1woh s GLN 141 N 1.54 3.28 -0.25 2.72 0.74 0.93 -1.44 119.66 127.18 1woh s GLN 141 Ca 0.03 -0.68 -0.16 0.00 0.05 0.00 0.00 55.36 54.61 1woh s GLN 141 Cb -0.17 -2.90 -0.04 0.00 1.10 0.00 0.00 33.01 31.00 1woh s GLN 141 CO 0.04 -0.20 0.40 -0.51 -0.55 0.00 0.00 175.29 174.47 1woh s LEU 142 N 1.43 4.08 -0.14 3.68 1.43 -0.40 -0.36 118.68 128.40 1woh s LEU 142 Ca 0.06 0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 53.24 1woh s LEU 142 Cb -0.14 -2.48 0.12 0.00 0.03 0.00 0.00 46.19 43.72 1woh s LEU 142 CO -0.06 -0.16 0.93 -0.62 0.23 0.00 0.00 176.35 176.68 1woh s ASP 143 N 1.42 -0.43 0.23 2.29 -1.08 -0.65 -1.16 116.67 117.28 1woh s ASP 143 Ca 0.17 0.49 0.20 0.00 -0.52 0.00 0.00 52.55 52.89 1woh s ASP 143 Cb -0.15 0.38 0.04 0.00 -1.46 0.00 0.00 42.92 41.73 1woh s ASP 143 CO 0.09 -0.39 1.16 0.00 0.52 0.00 0.00 175.17 176.55 1woh h ALA 144 N 2.73 0.66 -3.91 3.66 0.00 -1.76 -2.48 119.26 118.16 1woh h ALA 144 Ca -0.20 -0.27 -0.68 0.00 0.00 0.00 0.00 54.91 53.75 1woh h ALA 144 Cb 1.16 0.06 -0.22 0.00 0.00 0.00 0.00 17.79 18.78 1woh h ALA 144 CO 0.32 0.31 -0.87 -1.01 0.00 0.00 0.00 179.25 178.00 1woh s HIS 145 N -3.17 2.27 0.18 0.00 3.76 -1.26 -1.66 115.29 115.40 1woh s HIS 145 Ca 0.01 -0.38 -0.10 0.00 -0.15 0.00 0.00 55.06 54.44 1woh s HIS 145 Cb 0.08 -1.23 0.07 0.00 1.11 0.00 0.00 32.58 32.61 1woh s HIS 145 CO 0.77 0.32 1.66 1.25 -0.85 0.00 0.00 174.74 177.89 1woh h LEU 146 N 3.93 0.99 -1.74 0.89 5.85 -1.95 -3.48 115.31 119.80 1woh h LEU 146 Ca -0.50 -0.27 -0.41 0.00 0.84 0.00 0.00 57.88 57.54 1woh h LEU 146 Cb 1.17 -0.26 0.07 0.00 0.37 0.00 0.00 40.66 42.00 1woh h LEU 146 CO 0.39 1.01 -0.82 0.47 -0.34 0.00 0.00 178.44 179.15 1woh n ASP 147 N -4.27 -1.35 -0.43 1.25 8.00 -1.26 -4.90 116.55 113.59 1woh n ASP 147 Ca 0.03 -0.79 0.06 0.00 0.71 0.00 0.00 54.79 54.80 1woh n ASP 147 Cb 0.29 -4.19 0.11 0.00 -0.02 0.00 0.00 41.12 37.31 1woh n ASP 147 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1woh n PHE 148 N -4.27 0.00 -2.32 1.24 7.35 -1.06 -2.94 117.46 115.46 1woh n PHE 148 Ca -0.29 -0.84 -0.38 0.00 -0.76 0.00 0.00 57.45 55.17 1woh n PHE 148 Cb 0.67 -0.15 -0.02 0.00 0.35 0.00 0.00 39.48 40.33 1woh n PHE 148 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1woh s THR 149 N -2.03 3.21 -0.07 -2.13 2.01 -0.55 -4.60 115.64 111.47 1woh s THR 149 Ca 0.27 1.02 -0.01 0.00 0.31 0.00 0.00 61.69 63.28 1woh s THR 149 Cb 0.25 -3.57 -0.00 0.00 0.01 0.00 0.00 72.50 69.19 1woh s THR 149 CO -0.02 0.10 -0.01 -0.78 -0.69 0.00 0.00 174.62 173.21 1woh h ASP 150 N 2.69 0.00 -4.19 3.53 3.58 -1.93 -3.38 116.42 116.73 1woh h ASP 150 Ca -0.49 0.00 -0.49 0.00 0.42 0.00 0.00 57.03 56.47 1woh h ASP 150 Cb 1.23 0.00 -0.29 0.00 1.72 0.00 0.00 39.33 41.99 1woh h ASP 150 CO 0.63 0.36 -0.81 -0.89 -2.88 0.00 0.00 179.24 175.64 1woh s THR 151 N -1.43 1.14 -0.10 2.25 2.01 -1.26 -4.56 115.64 113.69 1woh s THR 151 Ca -0.01 -0.61 -0.08 0.00 0.31 0.00 0.00 61.69 61.30 1woh s THR 151 Cb 0.00 -0.95 0.03 0.00 0.01 0.00 0.00 72.50 71.59 1woh s THR 151 CO 0.02 0.32 0.27 -0.60 -0.69 0.00 0.00 174.62 173.93 1woh s ARG 152 N -0.31 0.29 -1.63 4.92 3.52 -0.79 -4.90 118.95 120.04 1woh s ARG 152 Ca 0.05 0.43 -0.11 0.00 -0.13 0.00 0.00 55.73 55.97 1woh s ARG 152 Cb -0.06 0.07 0.10 0.00 -1.56 0.00 0.00 34.95 33.50 1woh s ARG 152 CO -0.00 -0.08 0.49 0.09 -0.81 0.00 0.00 175.30 174.99 1woh n ASN 153 N 3.33 -1.33 -1.64 -2.12 4.13 -1.26 -1.03 115.26 115.34 1woh n ASN 153 Ca -0.16 -1.11 -0.17 0.00 1.68 0.00 0.00 54.58 54.81 1woh n ASN 153 Cb 0.57 -2.37 -0.04 0.00 -1.54 0.00 0.00 39.78 36.40 1woh n ASN 153 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1woh n ASP 154 N -2.76 -5.08 -3.98 6.41 8.00 -1.26 -5.00 116.55 112.88 1woh n ASP 154 Ca -0.11 0.21 -0.09 0.00 0.71 0.00 0.00 54.79 55.52 1woh n ASP 154 Cb 0.58 -4.14 -0.10 0.00 -0.02 0.00 0.00 41.12 37.44 1woh n ASP 154 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1woh s THR 155 N -2.75 0.14 -1.49 -3.53 -1.32 -0.20 -5.02 115.64 101.47 1woh s THR 155 Ca 0.00 -1.19 0.21 0.00 -1.21 0.00 0.00 61.69 59.50 1woh s THR 155 Cb 0.00 -0.83 -0.11 0.00 -1.51 0.00 0.00 72.50 70.06 1woh s THR 155 CO 0.00 -0.66 0.96 0.29 -2.21 0.00 0.00 174.62 173.01 1woh n LYS 156 N 0.89 0.85 -0.39 7.08 4.76 -1.26 -1.89 118.16 128.20 1woh n LYS 156 Ca -0.19 -0.53 0.08 0.00 -2.87 0.00 0.00 58.31 54.80 1woh n LYS 156 Cb 0.58 -1.45 0.27 0.00 -1.84 0.00 0.00 35.03 32.59 1woh n LYS 156 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 1woh n TRP 157 N -0.70 0.96 -1.13 2.13 5.03 -1.26 -4.80 117.44 117.68 1woh n TRP 157 Ca 0.07 -0.59 -0.30 0.00 3.03 0.00 0.00 57.50 59.70 1woh n TRP 157 Cb 0.39 -0.13 0.13 0.00 -1.03 0.00 0.00 31.31 30.66 1woh n TRP 157 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 1woh s SER 158 N -1.10 3.74 0.19 -0.99 1.04 -1.26 -4.85 113.70 110.47 1woh s SER 158 Ca 0.40 1.74 0.17 0.00 0.48 0.00 0.00 55.95 58.74 1woh s SER 158 Cb 0.25 -2.39 0.80 0.00 0.10 0.00 0.00 66.02 64.77 1woh s SER 158 CO 0.21 -2.51 1.51 -0.46 0.98 0.00 0.00 173.24 172.98 1woh n ASN 159 N -3.82 0.40 -0.06 7.02 6.94 -1.14 -2.26 115.26 122.33 1woh n ASN 159 Ca 0.08 0.64 0.15 0.00 -0.02 0.00 0.00 54.58 55.44 1woh n ASN 159 Cb 0.54 -0.71 0.75 0.00 -2.36 0.00 0.00 39.78 37.99 1woh n ASN 159 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1woh n SER 160 N -1.99 0.23 0.00 0.53 7.64 -1.26 -4.24 113.62 114.53 1woh n SER 160 Ca 0.01 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.31 1woh n SER 160 Cb 0.10 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 1woh n SER 160 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1woh n SER 161 N -1.03 1.56 -0.27 6.43 7.64 -0.96 -1.49 113.62 125.51 1woh n SER 161 Ca 0.17 -1.66 0.05 0.00 1.01 0.00 0.00 58.87 58.44 1woh n SER 161 Cb 0.23 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.61 1woh n SER 161 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1woh h PRO 162 N 0.00 0.53 0.00 1.43 0.13 -1.70 -1.02 132.00 131.36 1woh h PRO 162 Ca 0.00 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 65.00 1woh h PRO 162 Cb 0.41 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.41 1woh h PRO 162 CO 0.00 0.35 -0.48 0.74 -0.23 0.00 0.00 178.00 178.38 1woh h PHE 163 N 0.54 0.00 -0.15 1.56 -1.00 -1.86 -0.60 116.94 115.42 1woh h PHE 163 Ca 0.41 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 61.14 1woh h PHE 163 Cb 0.56 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.12 1woh h PHE 163 CO -0.13 0.48 -0.09 -0.09 -1.61 0.00 0.00 178.31 176.87 1woh h ARG 164 N 0.00 0.33 -0.81 1.51 9.65 -1.52 -0.69 114.38 122.85 1woh h ARG 164 Ca -0.00 -0.15 -0.04 0.00 -1.10 0.00 0.00 59.98 58.68 1woh h ARG 164 Cb 1.19 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.73 1woh h ARG 164 CO 0.06 0.67 0.34 0.00 2.80 0.00 0.00 179.97 183.84 1woh h ARG 165 N -0.02 1.20 -0.33 0.20 2.47 -1.15 -2.42 114.38 114.32 1woh h ARG 165 Ca 0.03 -0.21 -0.01 0.00 -1.26 0.00 0.00 59.98 58.54 1woh h ARG 165 Cb 0.58 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.69 1woh h ARG 165 CO 0.03 0.95 0.18 0.00 0.56 0.00 0.00 179.97 181.69 1woh h ALA 166 N 1.18 0.43 -0.28 0.04 0.00 -0.92 -2.60 119.26 117.12 1woh h ALA 166 Ca 0.27 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1woh h ALA 166 Cb 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1woh h ALA 166 CO -0.03 -0.05 0.08 0.00 0.00 0.00 0.00 179.25 179.26 1woh n GLU 168 N -4.71 0.22 0.00 0.00 0.28 -0.93 -2.51 120.64 112.98 1woh n GLU 168 Ca -0.03 0.13 0.03 0.00 -0.16 0.00 0.00 57.16 57.13 1woh n GLU 168 Cb 0.17 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.51 1woh n GLU 168 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1woh n ALA 169 N -1.32 2.68 -3.63 -1.84 0.00 -0.97 -4.89 120.51 110.54 1woh n ALA 169 Ca 0.08 -0.21 -0.29 0.00 0.00 0.00 0.00 53.44 53.02 1woh n ALA 169 Cb 0.15 -0.20 -0.13 0.00 0.00 0.00 0.00 19.45 19.27 1woh n ALA 169 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1woh s LEU 170 N -2.02 1.91 0.61 0.00 1.43 0.40 -4.97 118.68 116.05 1woh s LEU 170 Ca 0.03 -2.16 0.39 0.00 -1.03 0.00 0.00 54.13 51.35 1woh s LEU 170 Cb 0.04 -0.75 1.91 0.00 0.03 0.00 0.00 46.19 47.42 1woh s LEU 170 CO 0.20 -0.33 2.19 1.55 0.23 0.00 0.00 176.35 180.19 1woh h PRO 171 N 7.26 0.00 0.00 1.29 0.13 -1.87 -1.47 132.00 137.34 1woh h PRO 171 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1woh h PRO 171 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1woh h PRO 171 CO 0.41 0.01 0.00 0.27 -0.23 0.00 0.00 178.00 178.46 1woh n ASN 172 N -3.12 0.66 -4.53 1.44 6.94 -1.26 -4.42 115.26 110.97 1woh n ASN 172 Ca -0.01 0.58 -0.42 0.00 -0.02 0.00 0.00 54.58 54.71 1woh n ASN 172 Cb 0.18 -0.75 -0.03 0.00 -2.36 0.00 0.00 39.78 36.82 1woh n ASN 172 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1woh s LEU 173 N -4.28 3.81 0.22 -4.53 0.20 -0.56 -0.71 118.68 112.83 1woh s LEU 173 Ca 0.10 -1.34 0.23 0.00 0.69 0.00 0.00 54.13 53.81 1woh s LEU 173 Cb 0.12 -2.52 0.19 0.00 -0.43 0.00 0.00 46.19 43.55 1woh s LEU 173 CO 0.54 -1.48 1.25 -0.37 -0.29 0.00 0.00 176.35 175.99 1woh h VAL 174 N 6.40 0.00 -2.21 1.68 -1.51 -1.58 -3.48 116.25 115.55 1woh h VAL 174 Ca 0.06 -0.83 -0.07 0.00 -1.23 0.00 0.00 66.70 64.63 1woh h VAL 174 Cb 1.03 1.45 -0.20 0.00 -2.13 0.00 0.00 31.29 31.43 1woh h VAL 174 CO 1.32 0.00 0.08 -2.28 -1.23 0.00 0.00 177.57 175.45 1woh s HIS 175 N -3.27 -0.61 -0.06 5.19 5.65 -1.21 -4.93 115.29 116.06 1woh s HIS 175 Ca 0.03 1.20 0.01 0.00 0.25 0.00 0.00 55.06 56.55 1woh s HIS 175 Cb 0.10 0.31 0.02 0.00 -1.18 0.00 0.00 32.58 31.83 1woh s HIS 175 CO 0.74 -0.49 -0.07 0.42 -0.65 0.00 0.00 174.74 174.70 1woh s ILE 176 N -0.71 0.75 -0.29 0.89 1.01 -1.26 -1.21 121.20 120.38 1woh s ILE 176 Ca -0.08 -0.22 -0.05 0.00 0.00 0.00 0.00 60.65 60.30 1woh s ILE 176 Cb -0.02 -0.75 0.02 0.00 0.01 0.00 0.00 42.46 41.71 1woh s ILE 176 CO 0.06 0.28 0.04 -0.89 0.00 0.00 0.00 174.94 174.43 1woh s THR 177 N 1.04 3.60 -0.22 2.92 2.01 0.85 -1.19 115.64 124.65 1woh s THR 177 Ca -0.09 -0.85 -0.06 0.00 0.31 0.00 0.00 61.69 61.01 1woh s THR 177 Cb -0.14 -2.88 -0.02 0.00 0.01 0.00 0.00 72.50 69.47 1woh s THR 177 CO -0.00 0.08 0.02 -0.89 -0.69 0.00 0.00 174.62 173.14 1woh s THR 178 N 1.43 3.98 -0.05 -0.82 2.01 0.06 -0.05 115.64 122.21 1woh s THR 178 Ca 0.01 -0.29 0.06 0.00 0.31 0.00 0.00 61.69 61.78 1woh s THR 178 Cb -0.17 -2.82 -0.01 0.00 0.01 0.00 0.00 72.50 69.50 1woh s THR 178 CO 0.00 0.40 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.40 1woh s VAL 179 N 1.27 1.95 0.00 3.82 1.01 0.52 -0.07 120.40 128.89 1woh s VAL 179 Ca 0.04 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1woh s VAL 179 Cb -0.15 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.59 1woh s VAL 179 CO 0.01 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1woh n GLY 180 N 2.90 0.63 3.59 4.51 0.00 -0.59 -1.64 105.19 114.59 1woh n GLY 180 Ca -0.17 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.39 1woh n GLY 180 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1woh n LEU 181 N 0.00 1.70 -3.63 0.99 4.77 -0.93 -4.03 117.00 115.87 1woh n LEU 181 Ca 0.00 1.16 -0.03 0.00 -0.03 0.00 0.00 56.01 57.11 1woh n LEU 181 Cb 0.00 -1.26 -0.01 0.00 -2.33 0.00 0.00 43.42 39.81 1woh n LEU 181 CO 0.00 -1.35 0.88 0.00 -1.33 0.00 0.00 177.39 175.59 1woh s ARG 182 N -1.06 0.69 0.00 3.23 1.70 -0.66 -1.02 118.95 121.83 1woh s ARG 182 Ca 0.64 -0.34 0.00 0.00 -0.47 0.00 0.00 55.73 55.56 1woh s ARG 182 Cb -0.76 0.26 0.00 0.00 -0.57 0.00 0.00 34.95 33.89 1woh s ARG 182 CO 0.56 -0.31 0.00 0.41 -1.08 0.00 0.00 175.30 174.88 1woh n GLY 183 N -0.35 2.87 0.14 3.88 0.00 -1.26 -4.68 105.19 105.79 1woh n GLY 183 Ca -0.06 -1.97 -0.22 0.00 0.00 0.00 0.00 46.02 43.77 1woh n GLY 183 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1woh h LEU 184 N 0.00 0.48 -9.18 0.99 3.38 -2.03 -3.46 115.31 105.50 1woh h LEU 184 Ca 0.00 -0.91 -0.60 0.00 0.09 0.00 0.00 57.88 56.46 1woh h LEU 184 Cb 0.00 -0.16 -0.12 0.00 0.09 0.00 0.00 40.66 40.48 1woh h LEU 184 CO 0.00 1.76 -0.31 -0.60 0.09 0.00 0.00 178.44 179.37 1woh s ARG 185 N -2.54 4.18 0.00 1.13 3.52 -1.26 -5.07 118.95 118.91 1woh s ARG 185 Ca -0.19 0.05 0.02 0.00 -0.13 0.00 0.00 55.73 55.48 1woh s ARG 185 Cb 0.05 -3.50 -0.01 0.00 -1.56 0.00 0.00 34.95 29.94 1woh s ARG 185 CO 0.80 0.07 -0.06 -0.06 -0.81 0.00 0.00 175.30 175.24 1woh s PHE 186 N 0.99 0.52 -0.58 5.12 0.40 -1.26 -5.07 117.98 118.10 1woh s PHE 186 Ca 0.15 -0.14 -0.28 0.00 -0.60 0.00 0.00 56.93 56.07 1woh s PHE 186 Cb -0.14 -0.33 0.01 0.00 0.51 0.00 0.00 43.02 43.07 1woh s PHE 186 CO 0.06 -0.02 1.43 0.34 0.70 0.00 0.00 175.22 177.74 1woh s ASP 187 N -0.29 6.07 0.28 1.36 -1.08 -1.26 -4.90 116.67 116.85 1woh s ASP 187 Ca 0.01 0.22 0.01 0.00 -0.52 0.00 0.00 52.55 52.27 1woh s ASP 187 Cb -0.03 -2.55 0.55 0.00 -1.46 0.00 0.00 42.92 39.43 1woh s ASP 187 CO -0.00 -1.77 1.81 1.55 0.52 0.00 0.00 175.17 177.28 1woh h PRO 188 N 11.24 0.85 -0.62 4.34 0.13 -1.99 0.20 132.00 146.15 1woh h PRO 188 Ca -0.27 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.77 1woh h PRO 188 Cb 1.09 -0.19 -0.03 0.00 0.13 0.00 0.00 31.00 32.01 1woh h PRO 188 CO 1.19 0.56 0.23 1.49 -0.23 0.00 0.00 178.00 181.24 1woh h GLU 189 N 0.87 0.94 -0.32 0.86 4.22 -1.99 -1.04 114.58 118.12 1woh h GLU 189 Ca 0.49 -0.18 -0.06 0.00 0.08 0.00 0.00 59.36 59.68 1woh h GLU 189 Cb 0.55 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1woh h GLU 189 CO -0.29 0.81 -0.04 0.00 -2.18 0.00 0.00 179.01 177.31 1woh h ALA 190 N 1.09 0.44 -0.06 2.92 0.00 -1.56 -0.32 119.26 121.77 1woh h ALA 190 Ca 0.21 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1woh h ALA 190 Cb 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1woh h ALA 190 CO -0.01 0.24 0.01 0.28 0.00 0.00 0.00 179.25 179.76 1woh h VAL 191 N 0.39 0.97 -0.30 0.00 2.07 -0.83 -0.27 116.25 118.27 1woh h VAL 191 Ca 0.09 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 1woh h VAL 191 Cb 0.51 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1woh h VAL 191 CO 0.02 0.01 0.18 0.00 0.02 0.00 0.00 177.57 177.80 1woh h ALA 192 N 1.04 0.39 -0.70 1.67 0.00 -1.14 -1.18 119.26 119.34 1woh h ALA 192 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1woh h ALA 192 Cb 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1woh h ALA 192 CO -0.04 -0.11 0.44 0.00 0.00 0.00 0.00 179.25 179.54 1woh h ALA 193 N 1.07 1.45 -0.00 0.00 0.00 -0.84 -0.33 119.26 120.61 1woh h ALA 193 Ca 0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1woh h ALA 193 Cb 0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1woh h ALA 193 CO -0.02 0.49 -0.00 0.00 0.00 0.00 0.00 179.25 179.72 1woh h ALA 194 N 1.53 0.00 -0.74 0.00 0.00 -0.68 -2.47 119.26 116.90 1woh h ALA 194 Ca 0.25 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1woh h ALA 194 Cb -0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1woh h ALA 194 CO -0.05 -0.27 0.48 0.00 0.00 0.00 0.00 179.25 179.42 1woh h ARG 195 N -0.46 0.97 -0.38 0.00 3.08 -1.03 -2.03 114.38 114.53 1woh h ARG 195 Ca 0.00 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 1woh h ARG 195 Cb 0.46 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1woh h ARG 195 CO 0.00 0.65 0.01 0.00 -1.07 0.00 0.00 179.97 179.56 1woh h ALA 196 N 1.53 1.32 -0.01 0.04 0.00 -1.00 -2.18 119.26 118.97 1woh h ALA 196 Ca 0.27 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1woh h ALA 196 Cb -0.11 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1woh h ALA 196 CO -0.06 0.47 0.00 0.54 0.00 0.00 0.00 179.25 180.20 1woh n ARG 197 N -4.27 1.05 -1.50 0.00 1.74 -0.81 -4.88 116.66 107.99 1woh n ARG 197 Ca 0.02 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1woh n ARG 197 Cb 0.25 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 1woh n ARG 197 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1woh n GLY 198 N 0.94 0.50 3.84 -0.13 0.00 -0.82 -4.93 105.19 104.58 1woh n GLY 198 Ca 0.20 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 1woh n GLY 198 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1woh s HIS 199 N -2.00 3.39 -0.30 1.61 3.76 -0.93 -4.75 115.29 116.07 1woh s HIS 199 Ca 0.00 1.48 -0.11 0.00 -0.15 0.00 0.00 55.06 56.29 1woh s HIS 199 Cb 0.00 -2.78 -0.03 0.00 1.11 0.00 0.00 32.58 30.88 1woh s HIS 199 CO 0.00 -0.21 0.18 0.99 -0.85 0.00 0.00 174.74 174.85 1woh s THR 200 N -2.37 5.08 -0.26 1.30 2.01 -0.34 -4.68 115.64 116.38 1woh s THR 200 Ca 0.59 -0.06 -0.08 0.00 0.31 0.00 0.00 61.69 62.45 1woh s THR 200 Cb -0.10 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 1woh s THR 200 CO 0.23 0.16 0.08 -0.63 -0.69 0.00 0.00 174.62 173.77 1woh s ILE 201 N 1.71 4.38 -0.36 1.82 1.01 -1.26 -0.76 121.20 127.74 1woh s ILE 201 Ca 0.06 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.56 1woh s ILE 201 Cb -0.16 -3.07 0.10 0.00 0.01 0.00 0.00 42.46 39.34 1woh s ILE 201 CO 0.09 0.31 0.08 -0.63 0.00 0.00 0.00 174.94 174.79 1woh s ILE 202 N 1.62 2.41 0.69 2.92 1.01 0.89 -4.98 121.20 125.76 1woh s ILE 202 Ca 0.06 -2.36 -0.17 0.00 0.00 0.00 0.00 60.65 58.18 1woh s ILE 202 Cb -0.15 -2.76 0.01 0.00 0.01 0.00 0.00 42.46 39.57 1woh s ILE 202 CO 0.04 -0.62 1.26 -2.84 0.00 0.00 0.00 174.94 172.78 1woh s PRO 203 N 0.87 2.32 0.39 2.79 0.02 -1.26 -1.54 135.00 138.58 1woh s PRO 203 Ca 0.11 1.94 0.08 0.00 0.02 0.00 0.00 61.00 63.14 1woh s PRO 203 Cb -0.20 -1.83 0.82 0.00 0.02 0.00 0.00 34.50 33.31 1woh s PRO 203 CO -0.07 -1.74 1.99 1.98 -0.33 0.00 0.00 177.00 178.82 1woh h MET 204 N 0.13 0.63 -0.88 5.54 1.85 -1.21 -0.73 114.93 120.25 1woh h MET 204 Ca -0.49 -0.04 0.16 0.00 -0.61 0.00 0.00 59.70 58.72 1woh h MET 204 Cb 1.32 -0.14 -0.07 0.00 0.43 0.00 0.00 31.60 33.14 1woh h MET 204 CO 0.51 0.42 0.57 -0.44 -0.40 0.00 0.00 176.91 177.57 1woh h ASP 205 N 0.65 0.57 -0.49 1.39 3.32 -1.91 0.01 116.42 119.96 1woh h ASP 205 Ca 0.27 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.25 1woh h ASP 205 Cb 0.24 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1woh h ASP 205 CO -0.08 0.27 -0.12 0.44 -1.72 0.00 0.00 179.24 178.03 1woh h ASP 206 N 0.59 0.97 -0.53 6.45 5.19 -1.48 -1.12 116.42 126.49 1woh h ASP 206 Ca 0.45 -0.32 -0.10 0.00 -0.62 0.00 0.00 57.03 56.44 1woh h ASP 206 Cb 0.85 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 40.07 1woh h ASP 206 CO -0.19 1.09 -0.06 0.58 -3.12 0.00 0.00 179.24 177.53 1woh h VAL 207 N 0.86 1.27 -0.32 -1.35 2.07 -0.99 -1.35 116.25 116.43 1woh h VAL 207 Ca 0.13 -1.20 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 1woh h VAL 207 Cb 0.67 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1woh h VAL 207 CO 0.05 0.42 0.07 0.74 0.02 0.00 0.00 177.57 178.87 1woh h THR 208 N 0.84 1.23 -0.50 2.57 2.02 -1.06 -2.79 112.91 115.22 1woh h THR 208 Ca 0.14 -0.77 -0.11 0.00 0.77 0.00 0.00 66.41 66.44 1woh h THR 208 Cb 0.62 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 1woh h THR 208 CO 0.04 0.26 -0.14 0.00 0.37 0.00 0.00 175.52 176.04 1woh h ALA 209 N 0.91 0.81 -0.95 6.16 0.00 -1.13 -3.42 119.26 121.63 1woh h ALA 209 Ca 0.10 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1woh h ALA 209 Cb 0.31 -0.18 -0.19 0.00 0.00 0.00 0.00 17.79 17.73 1woh h ALA 209 CO 0.00 0.66 -0.43 0.34 0.00 0.00 0.00 179.25 179.82 1woh s ASP 210 N -6.69 -1.47 0.21 0.00 2.15 -0.52 -5.01 116.67 105.35 1woh s ASP 210 Ca -0.11 -0.71 -0.09 0.00 0.43 0.00 0.00 52.55 52.08 1woh s ASP 210 Cb 0.13 1.88 0.17 0.00 -0.30 0.00 0.00 42.92 44.80 1woh s ASP 210 CO 0.85 -0.17 1.83 0.25 -0.17 0.00 0.00 175.17 177.77 1woh h LEU 211 N 6.94 1.02 -0.95 -1.34 7.12 -1.68 -2.21 115.31 124.20 1woh h LEU 211 Ca 0.04 -0.10 0.10 0.00 0.13 0.00 0.00 57.88 58.05 1woh h LEU 211 Cb 1.18 -0.26 -0.08 0.00 -0.53 0.00 0.00 40.66 40.98 1woh h LEU 211 CO 0.09 0.83 0.59 0.00 -0.13 0.00 0.00 178.44 179.82 1woh h ALA 212 N 1.23 1.38 -0.59 1.25 0.00 -1.94 -0.68 119.26 119.91 1woh h ALA 212 Ca 0.28 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 1woh h ALA 212 Cb 0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1woh h ALA 212 CO -0.04 0.25 0.05 0.78 0.00 0.00 0.00 179.25 180.29 1woh h GLY 213 N 0.99 1.06 1.09 0.00 0.00 -1.79 -2.72 103.07 101.70 1woh h GLY 213 Ca 0.45 -0.72 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 1woh h GLY 213 CO -0.23 0.67 0.16 -2.08 0.00 0.00 0.00 176.54 175.05 1woh h VAL 214 N 0.92 1.26 -0.10 4.60 2.07 -0.77 -2.35 116.25 121.87 1woh h VAL 214 Ca 0.18 -0.99 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 1woh h VAL 214 Cb 0.47 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1woh h VAL 214 CO 0.02 0.38 -0.11 -0.07 0.02 0.00 0.00 177.57 177.80 1woh h LEU 215 N 1.06 0.14 -0.44 2.57 3.38 -1.00 -0.98 115.31 120.05 1woh h LEU 215 Ca 0.22 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1woh h LEU 215 Cb 0.39 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1woh h LEU 215 CO 0.00 0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.81 1woh n ALA 216 N -2.50 1.89 1.24 1.53 0.00 -0.90 -2.44 120.51 119.34 1woh n ALA 216 Ca -0.01 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.60 1woh n ALA 216 Cb 0.23 -1.42 0.35 0.00 0.00 0.00 0.00 19.45 18.61 1woh n ALA 216 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1woh n GLN 217 N -2.24 0.99 -2.09 0.00 6.02 -0.38 -4.93 117.38 114.75 1woh n GLN 217 Ca 0.03 -0.62 -0.32 0.00 -0.01 0.00 0.00 57.00 56.08 1woh n GLN 217 Cb 0.30 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.08 1woh n GLN 217 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1woh s LEU 218 N -2.44 3.48 0.85 1.08 1.43 -1.02 -5.02 118.68 117.05 1woh s LEU 218 Ca 0.25 1.70 -0.11 0.00 -1.03 0.00 0.00 54.13 54.94 1woh s LEU 218 Cb 0.19 -4.52 0.11 0.00 0.03 0.00 0.00 46.19 42.00 1woh s LEU 218 CO 0.50 -1.00 1.15 -2.16 0.23 0.00 0.00 176.35 175.07 1woh s PRO 219 N -4.23 1.45 -0.04 1.29 0.04 -1.26 -5.04 135.00 127.21 1woh s PRO 219 Ca 0.61 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1woh s PRO 219 Cb -0.14 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 32.65 1woh s PRO 219 CO 0.38 -2.30 -0.00 1.03 0.04 0.00 0.00 177.00 176.15 1woh s ARG 220 N -4.56 0.37 -1.57 4.56 0.52 -1.26 -4.78 118.95 112.23 1woh s ARG 220 Ca 0.67 0.08 0.00 0.00 -0.52 0.00 0.00 55.73 55.96 1woh s ARG 220 Cb -0.23 -0.58 0.00 0.00 0.52 0.00 0.00 34.95 34.67 1woh s ARG 220 CO 0.55 -0.16 0.00 0.41 0.02 0.00 0.00 175.30 176.12 1woh n GLY 221 N 4.31 -0.13 3.78 -3.53 0.00 0.38 -4.98 105.19 105.02 1woh n GLY 221 Ca -0.23 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 1woh n GLY 221 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1woh s GLN 222 N -4.74 2.36 -0.41 1.61 -1.52 -1.26 -4.88 119.66 110.83 1woh s GLN 222 Ca 0.00 -1.68 -0.23 0.00 -1.95 0.00 0.00 55.36 51.51 1woh s GLN 222 Cb 0.00 -2.16 0.02 0.00 -0.22 0.00 0.00 33.01 30.65 1woh s GLN 222 CO 0.00 -0.09 0.75 -0.80 -0.25 0.00 0.00 175.29 174.90 1woh s ASN 223 N -3.97 6.45 -0.10 5.90 0.01 -1.26 -1.17 114.94 120.80 1woh s ASN 223 Ca 0.43 0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.62 1woh s ASN 223 Cb 0.00 -2.37 -0.02 0.00 0.41 0.00 0.00 41.25 39.26 1woh s ASN 223 CO 0.24 -0.80 -0.10 -0.69 -1.51 0.00 0.00 177.10 174.24 1woh s VAL 224 N 3.11 3.41 -0.17 1.60 1.01 0.01 -0.44 120.40 128.94 1woh s VAL 224 Ca 0.29 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 1woh s VAL 224 Cb -0.13 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1woh s VAL 224 CO 0.20 0.55 -0.07 -0.47 0.00 0.00 0.00 175.10 175.31 1woh s TYR 225 N -0.17 2.94 -0.11 5.22 5.04 -0.05 -0.58 117.35 129.64 1woh s TYR 225 Ca 0.01 -0.59 -0.16 0.00 -2.44 0.00 0.00 57.07 53.89 1woh s TYR 225 Cb -0.13 -1.97 -0.05 0.00 0.35 0.00 0.00 41.96 40.16 1woh s TYR 225 CO 0.03 -0.25 0.40 -0.06 -1.34 0.00 0.00 175.55 174.33 1woh s PHE 226 N 0.71 3.54 -0.23 4.97 2.99 -0.27 -1.33 117.98 128.36 1woh s PHE 226 Ca -0.03 0.81 -0.00 0.00 0.00 0.00 0.00 56.93 57.70 1woh s PHE 226 Cb -0.15 -2.42 0.06 0.00 0.00 0.00 0.00 43.02 40.52 1woh s PHE 226 CO 0.02 0.30 -0.02 0.45 -0.00 0.00 0.00 175.22 175.96 1woh s SER 227 N 0.20 3.64 -0.34 1.36 0.15 -0.52 -0.62 113.70 117.57 1woh s SER 227 Ca 0.22 -1.12 -0.07 0.00 0.70 0.00 0.00 55.95 55.69 1woh s SER 227 Cb -0.15 -1.03 0.03 0.00 -1.71 0.00 0.00 66.02 63.17 1woh s SER 227 CO 0.09 -0.26 0.11 -0.69 1.20 0.00 0.00 173.24 173.68 1woh s VAL 228 N 1.51 3.85 -0.28 4.45 1.01 -0.12 -1.27 120.40 129.55 1woh s VAL 228 Ca -0.04 -1.06 -0.18 0.00 0.00 0.00 0.00 61.98 60.70 1woh s VAL 228 Cb -0.18 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 1woh s VAL 228 CO -0.07 -0.15 0.52 -0.62 0.00 0.00 0.00 175.10 174.78 1woh s ASP 229 N 1.42 6.42 0.64 3.32 -1.08 -0.31 -0.87 116.67 126.21 1woh s ASP 229 Ca -0.01 0.44 0.35 0.00 -0.52 0.00 0.00 52.55 52.81 1woh s ASP 229 Cb -0.19 -2.28 1.96 0.00 -1.46 0.00 0.00 42.92 40.95 1woh s ASP 229 CO 0.03 -0.32 2.18 -0.37 0.52 0.00 0.00 175.17 177.21 1woh h VAL 230 N 5.44 0.20 0.00 1.11 -1.51 -1.58 0.26 116.25 120.17 1woh h VAL 230 Ca -0.29 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.18 1woh h VAL 230 Cb 1.14 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 1woh h VAL 230 CO 0.73 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.17 1woh n ASP 231 N -3.35 0.00 0.18 4.19 5.68 -1.26 -1.73 116.55 120.26 1woh n ASP 231 Ca -0.01 -0.40 0.02 0.00 -0.50 0.00 0.00 54.79 53.90 1woh n ASP 231 Cb 0.21 -0.12 0.32 0.00 -1.14 0.00 0.00 41.12 40.40 1woh n ASP 231 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1woh h GLY 232 N 3.44 0.00 -1.80 6.12 0.00 -1.20 -3.37 103.07 106.26 1woh h GLY 232 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 1woh h GLY 232 CO 0.00 0.00 0.37 -1.36 0.00 0.00 0.00 176.54 175.55 1woh s PHE 233 N -3.96 3.41 0.32 5.60 0.40 -0.71 -1.81 117.98 121.23 1woh s PHE 233 Ca -0.02 1.49 -0.29 0.00 -0.60 0.00 0.00 56.93 57.51 1woh s PHE 233 Cb 0.13 -2.81 -0.12 0.00 0.51 0.00 0.00 43.02 40.74 1woh s PHE 233 CO 0.72 -0.35 1.52 -3.47 0.70 0.00 0.00 175.22 174.34 1woh n ASP 234 N -1.43 3.62 0.28 1.36 -0.08 0.44 -4.54 116.55 116.20 1woh n ASP 234 Ca 0.07 1.18 0.14 0.00 -1.51 0.00 0.00 54.79 54.67 1woh n ASP 234 Cb 0.54 -1.57 0.87 0.00 2.34 0.00 0.00 41.12 43.29 1woh n ASP 234 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1woh h PRO 235 N 3.99 0.00 -0.17 -0.67 0.11 -1.77 0.42 132.00 133.90 1woh h PRO 235 Ca -0.48 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 1woh h PRO 235 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1woh h PRO 235 CO 0.73 0.00 -0.36 0.00 -0.21 0.00 0.00 178.00 178.16 1woh h ALA 236 N 1.96 1.07 0.02 -0.75 0.00 -1.95 -2.01 119.26 117.61 1woh h ALA 236 Ca 0.01 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 1woh h ALA 236 Cb 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1woh h ALA 236 CO -0.00 0.58 -0.48 0.28 0.00 0.00 0.00 179.25 179.63 1woh h VAL 237 N 0.30 1.50 -2.91 0.00 2.07 -1.40 -3.42 116.25 112.39 1woh h VAL 237 Ca 0.03 -2.33 -0.61 0.00 0.82 0.00 0.00 66.70 64.61 1woh h VAL 237 Cb 0.78 3.04 -0.41 0.00 -1.52 0.00 0.00 31.29 33.19 1woh h VAL 237 CO 0.06 0.55 -0.68 -0.63 0.02 0.00 0.00 177.57 176.89 1woh s ILE 238 N -2.29 2.17 -0.64 4.57 -1.09 -0.05 -4.60 121.20 119.27 1woh s ILE 238 Ca -0.21 -3.75 0.25 0.00 -2.23 0.00 0.00 60.65 54.71 1woh s ILE 238 Cb 0.00 -2.44 0.28 0.00 -1.58 0.00 0.00 42.46 38.72 1woh s ILE 238 CO 0.68 -1.05 1.76 -0.81 -1.23 0.00 0.00 174.94 174.29 1woh n PRO 239 N 2.31 0.26 -2.25 2.79 -0.04 -0.76 -4.43 135.00 132.87 1woh n PRO 239 Ca 0.21 0.29 -0.41 0.00 -0.04 0.00 0.00 63.50 63.55 1woh n PRO 239 Cb 0.38 -1.84 -0.01 0.00 -0.04 0.00 0.00 33.50 31.99 1woh n PRO 239 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1woh n GLY 240 N 0.92 2.73 3.50 0.55 0.00 -1.26 -4.77 105.19 106.86 1woh n GLY 240 Ca 0.04 -1.37 -0.18 0.00 0.00 0.00 0.00 46.02 44.52 1woh n GLY 240 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1woh s THR 241 N 5.06 0.00 0.13 2.61 -1.32 -1.26 -0.31 115.64 120.56 1woh s THR 241 Ca 0.55 -0.03 -0.22 0.00 -1.21 0.00 0.00 61.69 60.78 1woh s THR 241 Cb 0.06 -0.98 -0.01 0.00 -1.51 0.00 0.00 72.50 70.06 1woh s THR 241 CO 0.06 -0.02 1.66 -1.28 -2.21 0.00 0.00 174.62 172.83 1woh h SER 242 N 3.05 -0.50 -2.91 8.08 0.87 -1.77 -3.38 113.55 116.97 1woh h SER 242 Ca -0.27 0.09 -0.61 0.00 -1.23 0.00 0.00 61.79 59.78 1woh h SER 242 Cb 1.14 0.24 -0.40 0.00 -0.44 0.00 0.00 62.40 62.94 1woh h SER 242 CO 0.39 -0.21 -0.75 -0.44 -0.53 0.00 0.00 176.83 175.29 1woh s SER 243 N -5.06 3.34 0.55 6.23 0.01 -1.26 -4.44 113.70 113.08 1woh s SER 243 Ca -0.14 -3.33 -0.19 0.00 1.31 0.00 0.00 55.95 53.60 1woh s SER 243 Cb 0.11 -1.08 -0.05 0.00 0.21 0.00 0.00 66.02 65.21 1woh s SER 243 CO 0.68 -0.15 1.11 -2.16 0.41 0.00 0.00 173.24 173.12 1woh s PRO 244 N -0.55 3.35 -0.07 12.44 0.04 -1.26 -5.00 135.00 143.95 1woh s PRO 244 Ca 0.26 1.51 0.01 0.00 0.04 0.00 0.00 61.00 62.83 1woh s PRO 244 Cb -0.05 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.49 1woh s PRO 244 CO -0.15 -0.83 -0.09 -2.00 0.04 0.00 0.00 177.00 173.97 1woh s GLU 245 N -3.44 1.47 0.93 4.56 2.56 -1.26 -5.08 118.70 118.44 1woh s GLU 245 Ca 0.70 -0.31 -0.10 0.00 0.00 0.00 0.00 54.97 55.26 1woh s GLU 245 Cb -0.22 -1.31 0.15 0.00 2.00 0.00 0.00 34.13 34.75 1woh s GLU 245 CO 0.28 -0.06 1.10 -0.35 -0.56 0.00 0.00 175.26 175.68 1woh n PRO 246 N 4.10 -0.56 -3.37 4.30 -0.04 -1.26 -4.25 135.00 133.93 1woh n PRO 246 Ca -0.21 -0.10 -0.18 0.00 -0.04 0.00 0.00 63.50 62.97 1woh n PRO 246 Cb 0.51 -2.34 0.05 0.00 -0.04 0.00 0.00 33.50 31.68 1woh n PRO 246 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1woh n ASP 247 N -4.14 -6.38 -1.03 3.54 8.00 -1.26 -4.93 116.55 110.35 1woh n ASP 247 Ca 0.11 -0.72 0.00 0.00 0.71 0.00 0.00 54.79 54.89 1woh n ASP 247 Cb 0.52 -4.58 0.00 0.00 -0.02 0.00 0.00 41.12 37.05 1woh n ASP 247 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1woh n GLY 248 N -1.45 2.66 3.77 0.44 0.00 -1.26 -4.94 105.19 104.41 1woh n GLY 248 Ca -0.07 -2.09 -0.39 0.00 0.00 0.00 0.00 46.02 43.47 1woh n GLY 248 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1woh s LEU 249 N 0.00 4.27 0.72 0.99 1.43 -0.75 -4.14 118.68 121.20 1woh s LEU 249 Ca 0.00 2.35 -0.10 0.00 -1.03 0.00 0.00 54.13 55.35 1woh s LEU 249 Cb 0.00 -3.93 0.04 0.00 0.03 0.00 0.00 46.19 42.33 1woh s LEU 249 CO 0.00 -0.57 1.08 0.42 0.23 0.00 0.00 176.35 177.52 1woh s THR 250 N -1.36 2.95 0.18 5.49 -4.23 -1.26 -0.42 115.64 116.98 1woh s THR 250 Ca 0.54 0.19 -0.14 0.00 -1.18 0.00 0.00 61.69 61.11 1woh s THR 250 Cb -0.31 -3.28 0.07 0.00 1.34 0.00 0.00 72.50 70.31 1woh s THR 250 CO 0.40 -0.35 1.82 0.22 -0.54 0.00 0.00 174.62 176.16 1woh h TYR 251 N -0.70 0.58 -0.76 3.99 3.20 -1.97 -2.30 116.97 119.02 1woh h TYR 251 Ca -0.45 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.46 1woh h TYR 251 Cb 1.28 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 39.32 1woh h TYR 251 CO 0.42 0.34 0.49 0.00 -1.64 0.00 0.00 178.16 177.77 1woh h ALA 252 N 1.23 0.99 -0.29 1.82 0.00 -1.98 -0.87 119.26 120.16 1woh h ALA 252 Ca 0.21 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1woh h ALA 252 Cb 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1woh h ALA 252 CO -0.09 0.31 0.05 1.96 0.00 0.00 0.00 179.25 181.49 1woh h GLN 253 N 0.97 0.48 -0.73 0.00 4.20 -1.86 0.00 115.11 118.16 1woh h GLN 253 Ca 0.30 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1woh h GLN 253 Cb -0.02 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.66 1woh h GLN 253 CO -0.10 0.58 0.46 0.78 -0.67 0.00 0.00 178.83 179.88 1woh h GLY 254 N 0.30 1.05 1.59 3.46 0.00 -1.19 -2.26 103.07 106.01 1woh h GLY 254 Ca 0.09 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 46.91 1woh h GLY 254 CO 0.00 0.40 -0.21 1.98 0.00 0.00 0.00 176.54 178.72 1woh h MET 255 N 0.99 0.48 -0.67 4.80 1.85 -0.96 -2.26 114.93 119.16 1woh h MET 255 Ca 0.26 -0.17 -0.06 0.00 -0.61 0.00 0.00 59.70 59.13 1woh h MET 255 Cb -0.07 -0.04 -0.03 0.00 0.43 0.00 0.00 31.60 31.90 1woh h MET 255 CO -0.05 0.67 0.18 0.87 -0.40 0.00 0.00 176.91 178.18 1woh h LYS 256 N 0.43 1.04 -0.14 0.39 1.57 -0.51 0.11 116.57 119.47 1woh h LYS 256 Ca 0.07 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 1woh h LYS 256 Cb 0.61 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1woh h LYS 256 CO 0.04 0.91 0.01 0.82 -0.57 0.00 0.00 179.45 180.67 1woh h ILE 257 N 1.00 1.23 -0.42 1.86 2.04 -1.13 -0.53 117.51 121.56 1woh h ILE 257 Ca 0.21 -0.75 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 1woh h ILE 257 Cb 0.33 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1woh h ILE 257 CO -0.00 0.22 0.16 -0.07 0.00 0.00 0.00 178.15 178.46 1woh h LEU 258 N -0.01 0.59 -0.81 1.44 3.38 -1.24 -1.59 115.31 117.06 1woh h LEU 258 Ca 0.04 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1woh h LEU 258 Cb 0.33 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1woh h LEU 258 CO 0.00 0.61 0.53 0.00 0.09 0.00 0.00 178.44 179.68 1woh h ALA 259 N 1.00 1.03 -0.06 1.53 0.00 -0.72 0.11 119.26 122.15 1woh h ALA 259 Ca 0.14 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1woh h ALA 259 Cb 0.22 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1woh h ALA 259 CO -0.01 0.42 0.03 0.00 0.00 0.00 0.00 179.25 179.69 1woh h ALA 260 N 1.30 0.08 -0.81 0.00 0.00 -0.85 -1.79 119.26 117.19 1woh h ALA 260 Ca 0.30 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1woh h ALA 260 Cb -0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1woh h ALA 260 CO -0.07 -0.34 0.39 0.00 0.00 0.00 0.00 179.25 179.22 1woh h ALA 261 N 0.87 1.05 0.00 0.00 0.00 -1.00 -2.16 119.26 118.03 1woh h ALA 261 Ca 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1woh h ALA 261 Cb 0.15 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1woh h ALA 261 CO -0.00 0.62 -0.05 0.00 0.00 0.00 0.00 179.25 179.82 1woh h ALA 262 N 1.21 1.04 0.00 0.00 0.00 -0.64 -2.10 119.26 118.77 1woh h ALA 262 Ca 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1woh h ALA 262 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1woh h ALA 262 CO -0.03 0.06 -0.61 0.00 0.00 0.00 0.00 179.25 178.67 1woh h ALA 263 N 1.95 0.60 0.00 0.00 0.00 -0.66 -3.38 119.26 117.78 1woh h ALA 263 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1woh h ALA 263 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1woh h ALA 263 CO 0.01 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.35 1woh n ASN 264 N -2.16 1.49 -3.95 0.00 3.02 -1.04 -5.01 115.26 107.61 1woh n ASN 264 Ca 0.03 -1.63 -0.14 0.00 -0.03 0.00 0.00 54.58 52.82 1woh n ASN 264 Cb 0.45 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.52 1woh n ASN 264 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1woh s ASN 265 N -0.63 0.53 -0.45 6.41 0.01 -0.82 0.14 114.94 120.13 1woh s ASN 265 Ca 0.00 -1.45 -0.16 0.00 -0.71 0.00 0.00 52.86 50.53 1woh s ASN 265 Cb 0.00 0.45 0.05 0.00 0.41 0.00 0.00 41.25 42.15 1woh s ASN 265 CO 0.00 -0.93 0.41 -0.89 -1.51 0.00 0.00 177.10 174.19 1woh s THR 266 N -3.94 5.16 -0.21 1.60 2.01 -0.31 -4.83 115.64 115.11 1woh s THR 266 Ca 0.38 -0.72 -0.29 0.00 0.31 0.00 0.00 61.69 61.37 1woh s THR 266 Cb 0.05 -4.08 0.01 0.00 0.01 0.00 0.00 72.50 68.48 1woh s THR 266 CO 0.16 -0.51 1.06 -0.69 -0.69 0.00 0.00 174.62 173.95 1woh s VAL 267 N 1.91 4.65 -1.54 3.82 1.01 -1.26 -0.81 120.40 128.18 1woh s VAL 267 Ca 0.08 1.99 0.22 0.00 0.00 0.00 0.00 61.98 64.26 1woh s VAL 267 Cb -0.21 -4.28 -0.11 0.00 0.00 0.00 0.00 36.38 31.78 1woh s VAL 267 CO 0.10 -0.16 1.01 1.33 0.00 0.00 0.00 175.10 177.38 1woh n VAL 268 N 5.24 0.00 0.00 2.92 0.24 0.25 -4.88 118.33 122.10 1woh n VAL 268 Ca 0.12 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1woh n VAL 268 Cb 0.46 1.12 0.00 0.00 -1.47 0.00 0.00 33.84 33.95 1woh n VAL 268 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1woh n GLY 269 N 1.46 1.21 3.42 7.63 0.00 -1.25 -4.33 105.19 113.33 1woh n GLY 269 Ca 0.07 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 1woh n GLY 269 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1woh s LEU 270 N 0.00 0.01 0.13 0.99 0.20 -0.82 -1.12 118.68 118.08 1woh s LEU 270 Ca 0.00 1.03 0.09 0.00 0.69 0.00 0.00 54.13 55.94 1woh s LEU 270 Cb 0.00 1.79 -0.04 0.00 -0.43 0.00 0.00 46.19 47.52 1woh s LEU 270 CO 0.00 -0.19 -0.23 1.51 -0.29 0.00 0.00 176.35 177.15 1woh s ASP 271 N 0.22 2.90 -0.24 3.68 1.47 0.21 -0.43 116.67 124.48 1woh s ASP 271 Ca -0.00 -0.76 -0.00 0.00 1.18 0.00 0.00 52.55 52.96 1woh s ASP 271 Cb -0.04 -0.18 0.07 0.00 -0.34 0.00 0.00 42.92 42.43 1woh s ASP 271 CO 0.01 0.08 -0.01 -0.22 0.68 0.00 0.00 175.17 175.71 1woh s LEU 272 N -2.20 2.25 0.30 2.11 1.98 0.22 -0.94 118.68 122.39 1woh s LEU 272 Ca 0.12 -1.17 0.07 0.00 -2.89 0.00 0.00 54.13 50.27 1woh s LEU 272 Cb -0.09 -1.01 -0.06 0.00 0.66 0.00 0.00 46.19 45.70 1woh s LEU 272 CO 0.06 -0.28 -0.06 0.68 -1.89 0.00 0.00 176.35 174.86 1woh s VAL 273 N 1.52 1.76 -0.44 1.68 -7.23 -0.05 -0.58 120.40 117.07 1woh s VAL 273 Ca -0.02 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.01 1woh s VAL 273 Cb -0.18 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.25 1woh s VAL 273 CO -0.09 -0.26 0.00 -0.62 -0.31 0.00 0.00 175.10 173.82 1woh n GLU 274 N -0.64 -0.79 -2.43 4.82 -0.58 -0.17 -1.55 120.64 119.30 1woh n GLU 274 Ca -0.05 0.49 -0.41 0.00 -0.42 0.00 0.00 57.16 56.77 1woh n GLU 274 Cb 0.64 -4.26 -0.04 0.00 -0.57 0.00 0.00 31.44 27.21 1woh n GLU 274 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1woh s LEU 275 N -0.94 4.47 -0.45 -4.62 0.20 -1.26 -4.24 118.68 111.83 1woh s LEU 275 Ca 0.00 2.18 0.02 0.00 0.69 0.00 0.00 54.13 57.03 1woh s LEU 275 Cb 0.00 -3.61 0.14 0.00 -0.43 0.00 0.00 46.19 42.29 1woh s LEU 275 CO 0.00 -0.30 0.25 0.00 -0.29 0.00 0.00 176.35 176.01 1woh s ALA 276 N -0.22 2.30 0.34 5.97 0.00 0.57 -3.68 121.76 127.04 1woh s ALA 276 Ca 0.51 -2.69 0.06 0.00 0.00 0.00 0.00 51.96 49.84 1woh s ALA 276 Cb -0.31 -1.92 0.74 0.00 0.00 0.00 0.00 23.12 21.63 1woh s ALA 276 CO 0.36 -2.06 1.90 -1.35 0.00 0.00 0.00 175.76 174.61 1woh h PRO 277 N 6.64 0.76 0.00 0.00 0.11 -1.80 -1.00 132.00 136.70 1woh h PRO 277 Ca -0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1woh h PRO 277 Cb 0.92 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1woh h PRO 277 CO 0.51 0.50 0.00 -2.95 -0.21 0.00 0.00 178.00 175.85 1woh h ASN 278 N 0.78 0.00 -0.27 -2.05 -1.07 -1.93 -1.70 115.58 109.33 1woh h ASN 278 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.78 1woh h ASN 278 Cb 0.51 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.76 1woh h ASN 278 CO -0.17 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.51 1woh n LEU 279 N -2.78 2.69 -3.48 6.14 4.77 -0.38 -4.64 117.00 119.32 1woh n LEU 279 Ca -0.01 -1.13 -0.29 0.00 -0.03 0.00 0.00 56.01 54.55 1woh n LEU 279 Cb 0.12 -0.17 -0.12 0.00 -2.33 0.00 0.00 43.42 40.92 1woh n LEU 279 CO 0.19 0.57 -0.31 -0.62 -1.33 0.00 0.00 177.39 175.88 1woh s ASP 280 N -1.55 2.79 0.00 -1.43 3.68 -0.64 -4.34 116.67 115.17 1woh s ASP 280 Ca 0.35 -2.39 0.09 0.00 2.13 0.00 0.00 52.55 52.74 1woh s ASP 280 Cb 0.20 -0.47 0.40 0.00 -1.45 0.00 0.00 42.92 41.60 1woh s ASP 280 CO 0.29 -0.28 1.27 -0.81 0.13 0.00 0.00 175.17 175.77 1woh n PRO 281 N 3.78 0.02 0.13 4.34 -0.04 -1.26 -1.74 135.00 140.24 1woh n PRO 281 Ca 0.15 0.32 0.12 0.00 -0.04 0.00 0.00 63.50 64.05 1woh n PRO 281 Cb 0.39 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.59 1woh n PRO 281 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1woh h THR 282 N 0.00 0.00 0.00 0.52 1.35 -1.94 -3.47 112.91 109.37 1woh h THR 282 Ca 0.00 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1woh h THR 282 Cb 0.14 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 1woh h THR 282 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1woh n GLY 283 N 1.24 0.66 0.18 5.82 0.00 -0.71 -4.89 105.19 107.49 1woh n GLY 283 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1woh n GLY 283 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1woh h ARG 284 N 1.90 0.09 0.02 1.61 0.11 -1.92 -2.86 114.38 113.32 1woh h ARG 284 Ca 0.00 -0.04 0.02 0.00 0.10 0.00 0.00 59.98 60.06 1woh h ARG 284 Cb 0.05 -0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.11 1woh h ARG 284 CO 0.00 0.50 -0.11 0.77 0.10 0.00 0.00 179.97 181.23 1woh h SER 285 N 0.07 -0.31 0.55 0.08 0.02 -1.89 -0.35 113.55 111.74 1woh h SER 285 Ca 0.00 0.04 -0.14 0.00 -0.84 0.00 0.00 61.79 60.86 1woh h SER 285 Cb 0.78 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 1woh h SER 285 CO 0.06 -0.16 -0.65 1.05 -1.14 0.00 0.00 176.83 175.99 1woh h GLU 286 N -0.19 0.09 -0.38 3.45 9.09 -1.93 -1.60 114.58 123.10 1woh h GLU 286 Ca 0.03 -0.07 -0.07 0.00 0.05 0.00 0.00 59.36 59.30 1woh h GLU 286 Cb 0.23 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.33 1woh h GLU 286 CO -0.10 0.71 -0.05 -0.07 0.05 0.00 0.00 179.01 179.55 1woh h LEU 287 N 0.06 0.70 -0.40 3.06 3.38 -1.29 -1.72 115.31 119.11 1woh h LEU 287 Ca -0.01 -0.34 -0.17 0.00 0.09 0.00 0.00 57.88 57.45 1woh h LEU 287 Cb 1.16 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1woh h LEU 287 CO 0.09 0.87 -0.54 -0.07 0.09 0.00 0.00 178.44 178.89 1woh h LEU 288 N 0.51 0.83 -0.75 1.67 4.07 -1.02 -2.48 115.31 118.15 1woh h LEU 288 Ca 0.10 -0.44 -0.13 0.00 0.08 0.00 0.00 57.88 57.50 1woh h LEU 288 Cb 0.54 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 42.03 1woh h LEU 288 CO 0.03 1.20 -0.60 0.24 -1.08 0.00 0.00 178.44 178.23 1woh h MET 289 N 0.58 0.00 -0.43 1.13 2.86 -1.28 0.28 114.93 118.07 1woh h MET 289 Ca 0.02 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.51 1woh h MET 289 Cb 1.12 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 1woh h MET 289 CO 0.11 0.60 -0.30 0.00 1.06 0.00 0.00 176.91 178.39 1woh h ALA 290 N 1.40 0.62 -0.53 6.32 0.00 -1.29 -2.23 119.26 123.54 1woh h ALA 290 Ca -0.01 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 1woh h ALA 290 Cb 1.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1woh h ALA 290 CO 0.08 0.66 0.02 -0.09 0.00 0.00 0.00 179.25 179.93 1woh h ARG 291 N 0.80 0.89 -0.92 0.00 2.43 -1.13 -2.31 114.38 114.14 1woh h ARG 291 Ca 0.08 -0.24 0.02 0.00 -0.81 0.00 0.00 59.98 59.03 1woh h ARG 291 Cb 0.89 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.29 1woh h ARG 291 CO 0.08 0.87 0.61 1.25 -1.51 0.00 0.00 179.97 181.26 1woh h LEU 292 N 0.83 1.04 -0.27 3.80 5.85 -0.61 0.27 115.31 126.21 1woh h LEU 292 Ca 0.16 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1woh h LEU 292 Cb 0.46 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1woh h LEU 292 CO 0.02 0.74 0.07 0.58 -0.34 0.00 0.00 178.44 179.50 1woh h VAL 293 N 1.22 1.21 -0.59 1.05 2.07 -1.10 -0.69 116.25 119.42 1woh h VAL 293 Ca 0.35 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 1woh h VAL 293 Cb -0.09 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1woh h VAL 293 CO -0.09 0.23 0.22 0.24 0.02 0.00 0.00 177.57 178.19 1woh h MET 294 N 0.27 0.90 -0.27 1.57 2.86 -0.85 -1.41 114.93 117.99 1woh h MET 294 Ca 0.09 -0.17 -0.11 0.00 -2.06 0.00 0.00 59.70 57.45 1woh h MET 294 Cb 0.29 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1woh h MET 294 CO 0.00 0.78 -0.27 1.49 1.06 0.00 0.00 176.91 179.97 1woh h GLU 295 N 0.83 0.55 -0.65 1.72 4.81 -0.38 -1.41 114.58 120.04 1woh h GLU 295 Ca 0.20 -0.22 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 1woh h GLU 295 Cb 0.23 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1woh h GLU 295 CO -0.01 0.77 0.09 1.15 -0.73 0.00 0.00 179.01 180.28 1woh h THR 296 N 0.48 1.26 -0.43 0.32 2.02 -0.89 -1.95 112.91 113.72 1woh h THR 296 Ca 0.06 -1.04 -0.06 0.00 0.77 0.00 0.00 66.41 66.15 1woh h THR 296 Cb 0.72 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1woh h THR 296 CO 0.06 0.39 0.03 -0.07 0.37 0.00 0.00 175.52 176.29 1woh h LEU 297 N 1.00 0.64 -0.64 2.58 3.38 -0.76 -0.26 115.31 121.25 1woh h LEU 297 Ca 0.20 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1woh h LEU 297 Cb 0.45 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1woh h LEU 297 CO 0.01 0.69 0.42 0.00 0.09 0.00 0.00 178.44 179.66 1woh h GLU 299 N 0.86 0.67 -0.50 0.00 4.39 -0.80 -2.58 114.58 116.61 1woh h GLU 299 Ca 0.24 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1woh h GLU 299 Cb -0.08 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 1woh h GLU 299 CO -0.06 0.90 0.32 0.28 -1.16 0.00 0.00 179.01 179.29 1woh h VAL 300 N 0.44 1.14 0.00 3.13 2.07 -0.74 -2.70 116.25 119.58 1woh h VAL 300 Ca 0.07 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1woh h VAL 300 Cb 0.70 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1woh h VAL 300 CO 0.05 0.14 0.00 0.49 0.02 0.00 0.00 177.57 178.26 1woh n PHE 301 N -4.72 0.22 0.23 1.57 3.01 -0.46 -2.77 117.46 114.54 1woh n PHE 301 Ca 0.02 0.07 0.12 0.00 1.01 0.00 0.00 57.45 58.67 1woh n PHE 301 Cb 0.03 -0.61 0.30 0.00 -0.01 0.00 0.00 39.48 39.19 1woh n PHE 301 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1woh h ASP 302 N 0.00 0.00 -1.79 4.37 3.45 -1.12 -3.31 116.42 118.02 1woh h ASP 302 Ca 0.00 0.00 -0.55 0.00 0.43 0.00 0.00 57.03 56.91 1woh h ASP 302 Cb 0.51 0.00 -0.42 0.00 -0.56 0.00 0.00 39.33 38.87 1woh h ASP 302 CO 0.00 0.06 -0.81 1.41 -1.57 0.00 0.00 179.24 178.33 1woh n HIS 303 N -3.13 3.00 -3.21 4.55 8.25 -1.11 -5.05 115.22 118.53 1woh n HIS 303 Ca 0.03 -3.48 -0.41 0.00 -0.26 0.00 0.00 57.72 53.60 1woh n HIS 303 Cb 0.49 -0.31 -0.07 0.00 1.12 0.00 0.00 29.99 31.22 1woh n HIS 303 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1woh s VAL 304 N -4.49 5.02 -2.63 1.59 1.01 -1.24 -4.97 120.40 114.68 1woh s VAL 304 Ca 0.45 0.69 0.27 0.00 0.00 0.00 0.00 61.98 63.39 1woh s VAL 304 Cb 0.36 -3.92 0.46 0.00 0.00 0.00 0.00 36.38 33.28 1woh s VAL 304 CO -0.13 -0.07 1.62 0.18 0.00 0.00 0.00 175.10 176.70