#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 4.35 0.06 1.61 0.04 -1.26 -5.07 135.00 134.72 1woh s PRO 4 Ca 0.00 1.18 0.04 0.00 0.04 0.00 0.00 61.00 62.26 1woh s PRO 4 Cb 0.00 -2.40 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 1woh s PRO 4 CO 0.00 0.08 -0.04 0.00 0.04 0.00 0.00 177.00 177.08 1woh s ALA 5 N -1.98 3.14 0.55 8.56 0.00 -1.26 -5.11 121.76 125.66 1woh s ALA 5 Ca 0.58 -1.09 -0.20 0.00 0.00 0.00 0.00 51.96 51.25 1woh s ALA 5 Cb -0.12 -1.13 -0.05 0.00 0.00 0.00 0.00 23.12 21.81 1woh s ALA 5 CO 0.17 0.66 1.17 -1.01 0.00 0.00 0.00 175.76 176.74 1woh s HIS 6 N -1.17 2.58 0.71 0.00 3.76 -1.26 -5.04 115.29 114.87 1woh s HIS 6 Ca 0.21 1.53 -0.08 0.00 -0.15 0.00 0.00 55.06 56.57 1woh s HIS 6 Cb -0.11 -3.39 0.05 0.00 1.11 0.00 0.00 32.58 30.24 1woh s HIS 6 CO 0.13 -1.85 1.04 -0.51 -0.85 0.00 0.00 174.74 172.70 1woh s LEU 7 N -3.80 2.81 0.43 0.89 2.01 -1.26 -4.91 118.68 114.85 1woh s LEU 7 Ca 0.73 0.61 0.18 0.00 0.01 0.00 0.00 54.13 55.66 1woh s LEU 7 Cb -0.27 -3.26 1.11 0.00 0.01 0.00 0.00 46.19 43.77 1woh s LEU 7 CO 0.31 -1.57 1.87 -0.65 1.01 0.00 0.00 176.35 177.32 1woh h PRO 8 N -0.64 0.37 -0.01 1.29 0.11 -1.97 -0.46 132.00 130.69 1woh h PRO 8 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1woh h PRO 8 Cb 1.31 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1woh h PRO 8 CO 0.62 0.24 0.00 2.48 -0.21 0.00 0.00 178.00 181.13 1woh n TYR 9 N -4.49 0.00 -4.18 0.65 4.11 -1.26 -4.87 117.16 107.12 1woh n TYR 9 Ca 0.18 -0.00 -0.27 0.00 -0.00 0.00 0.00 57.90 57.81 1woh n TYR 9 Cb 0.68 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.95 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 -1.96 1.75 0.00 -7.48 0.00 -0.18 -5.05 107.32 94.40 1woh s GLY 10 Ca 0.44 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.84 1woh s GLY 10 CO 0.35 -1.33 0.00 0.61 0.00 0.00 0.00 173.10 172.73 1woh n GLY 11 N -0.03 -0.90 3.74 0.20 0.00 -1.26 -4.68 105.19 102.25 1woh n GLY 11 Ca -0.10 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 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 -2.52 3.44 -0.72 -0.61 -1.09 -1.26 -4.94 121.20 113.49 1woh s ILE 12 Ca 0.00 1.21 -0.27 0.00 -2.23 0.00 0.00 60.65 59.36 1woh s ILE 12 Cb 0.00 -3.77 0.03 0.00 -1.58 0.00 0.00 42.46 37.14 1woh s ILE 12 CO 0.00 0.19 1.27 -2.16 -1.23 0.00 0.00 174.94 173.01 1woh s PRO 13 N -0.27 3.22 0.10 2.79 0.04 -1.26 -4.94 135.00 134.68 1woh s PRO 13 Ca 0.54 -0.20 0.10 0.00 0.04 0.00 0.00 61.00 61.48 1woh s PRO 13 Cb -0.34 -4.16 -0.04 0.00 0.04 0.00 0.00 34.50 30.00 1woh s PRO 13 CO 0.38 -2.10 -0.27 0.95 0.04 0.00 0.00 177.00 176.00 1woh s THR 14 N 5.65 2.24 0.01 1.26 -4.23 -1.26 -4.75 115.64 114.55 1woh s THR 14 Ca 0.36 -1.62 -0.34 0.00 -1.18 0.00 0.00 61.69 58.91 1woh s THR 14 Cb -0.08 -1.95 -0.13 0.00 1.34 0.00 0.00 72.50 71.68 1woh s THR 14 CO 0.16 0.19 1.75 0.33 -0.54 0.00 0.00 174.62 176.51 1woh n PHE 15 N 1.22 2.29 -1.26 3.99 7.35 -1.26 -0.09 117.46 129.70 1woh n PHE 15 Ca -0.18 0.12 -0.09 0.00 -0.76 0.00 0.00 57.45 56.55 1woh n PHE 15 Cb 0.53 -2.61 -0.04 0.00 0.35 0.00 0.00 39.48 37.71 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 5.28 -0.13 -3.32 3.13 0.00 -1.26 -1.66 120.51 122.54 1woh n ALA 16 Ca 0.20 0.14 -0.23 0.00 0.00 0.00 0.00 53.44 53.55 1woh n ALA 16 Cb 0.29 -1.54 0.05 0.00 0.00 0.00 0.00 19.45 18.25 1woh n ALA 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1woh n ARG 17 N -1.06 -6.30 -2.58 0.00 0.63 0.87 -4.65 116.66 103.57 1woh n ARG 17 Ca -0.09 0.86 -0.27 0.00 -0.92 0.00 0.00 57.85 57.43 1woh n ARG 17 Cb 0.50 -5.81 0.01 0.00 0.45 0.00 0.00 32.46 27.61 1woh n ARG 17 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1woh s ALA 18 N -3.24 3.39 0.49 5.13 0.00 -0.66 -4.98 121.76 121.88 1woh s ALA 18 Ca 0.45 -0.54 -0.23 0.00 0.00 0.00 0.00 51.96 51.64 1woh s ALA 18 Cb -0.20 -2.59 -0.07 0.00 0.00 0.00 0.00 23.12 20.26 1woh s ALA 18 CO 0.55 -0.44 1.26 -1.25 0.00 0.00 0.00 175.76 175.89 1woh s PRO 19 N -4.79 3.53 0.27 0.00 0.04 -1.26 -4.63 135.00 128.16 1woh s PRO 19 Ca 0.49 2.02 -0.25 0.00 0.04 0.00 0.00 61.00 63.29 1woh s PRO 19 Cb -0.10 -2.39 -0.09 0.00 0.04 0.00 0.00 34.50 31.95 1woh s PRO 19 CO 0.45 -0.81 0.87 -1.17 0.04 0.00 0.00 177.00 176.39 1woh s LEU 20 N -3.15 4.40 0.27 -3.56 2.96 -1.26 -1.68 118.68 116.66 1woh s LEU 20 Ca 0.66 1.73 -0.09 0.00 -0.22 0.00 0.00 54.13 56.21 1woh s LEU 20 Cb -0.35 -3.79 -0.00 0.00 0.50 0.00 0.00 46.19 42.54 1woh s LEU 20 CO 0.42 0.01 0.45 0.68 -1.32 0.00 0.00 176.35 176.59 1woh s VAL 21 N -1.50 0.00 -0.06 1.68 -7.23 0.31 -4.89 120.40 108.71 1woh s VAL 21 Ca 0.46 -1.50 -0.03 0.00 -1.81 0.00 0.00 61.98 59.10 1woh s VAL 21 Cb -0.19 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 1woh s VAL 21 CO 0.24 0.00 0.08 -1.10 -0.31 0.00 0.00 175.10 174.01 1woh s GLN 22 N -3.71 3.17 0.18 4.82 -1.52 -1.26 -4.01 119.66 117.33 1woh s GLN 22 Ca 0.26 -0.36 -0.20 0.00 -1.95 0.00 0.00 55.36 53.11 1woh s GLN 22 Cb 0.00 -2.94 0.12 0.00 -0.22 0.00 0.00 33.01 29.97 1woh s GLN 22 CO 0.12 0.70 1.60 -1.35 -0.25 0.00 0.00 175.29 176.11 1woh h PRO 23 N 4.64 -0.16 -0.82 2.91 0.11 -1.95 0.46 132.00 137.20 1woh h PRO 23 Ca -0.51 0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.41 1woh h PRO 23 Cb 1.20 0.04 -0.12 0.00 0.11 0.00 0.00 31.00 32.23 1woh h PRO 23 CO 0.59 -0.11 0.25 -0.40 -0.21 0.00 0.00 178.00 178.13 1woh n ASP 24 N -5.43 4.29 -3.64 -2.05 5.75 -1.26 -4.21 116.55 110.01 1woh n ASP 24 Ca 0.04 -3.02 -0.25 0.00 -0.01 0.00 0.00 54.79 51.55 1woh n ASP 24 Cb 0.34 -0.71 0.17 0.00 -1.03 0.00 0.00 41.12 39.89 1woh n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1woh n GLY 25 N -0.13 -1.36 3.35 6.12 0.00 0.15 -5.00 105.19 108.32 1woh n GLY 25 Ca 0.35 -1.72 -0.46 0.00 0.00 0.00 0.00 46.02 44.19 1woh n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1woh s ASP 26 N -5.10 6.68 0.21 1.61 2.15 -1.26 -4.97 116.67 115.99 1woh s ASP 26 Ca 0.64 -2.47 -0.23 0.00 0.43 0.00 0.00 52.55 50.92 1woh s ASP 26 Cb -0.02 -2.25 0.04 0.00 -0.30 0.00 0.00 42.92 40.40 1woh s ASP 26 CO 0.45 -0.70 0.79 -1.66 -0.17 0.00 0.00 175.17 173.87 1woh s TRP 27 N 0.80 -0.22 -0.07 -5.34 1.48 -1.26 -5.09 118.94 109.22 1woh s TRP 27 Ca 0.19 -0.14 -0.15 0.00 -1.06 0.00 0.00 56.10 54.94 1woh s TRP 27 Cb -0.11 0.66 0.03 0.00 -1.16 0.00 0.00 33.47 32.89 1woh s TRP 27 CO -0.08 -1.03 0.37 -0.65 -4.06 0.00 0.00 176.95 171.50 1woh s GLN 28 N -3.66 0.60 0.03 3.25 -0.21 -1.26 -4.81 119.66 113.59 1woh s GLN 28 Ca 0.10 0.16 -0.27 0.00 0.02 0.00 0.00 55.36 55.36 1woh s GLN 28 Cb -0.04 0.27 0.09 0.00 1.00 0.00 0.00 33.01 34.34 1woh s GLN 28 CO 0.02 -0.14 0.80 0.00 -2.12 0.00 0.00 175.29 173.86 1woh s ALA 29 N -0.64 -1.76 0.05 6.09 0.00 -0.66 -5.02 121.76 119.82 1woh s ALA 29 Ca -0.07 0.93 -0.27 0.00 0.00 0.00 0.00 51.96 52.55 1woh s ALA 29 Cb -0.04 0.44 -0.17 0.00 0.00 0.00 0.00 23.12 23.35 1woh s ALA 29 CO 0.03 -0.66 1.51 -0.44 0.00 0.00 0.00 175.76 176.20 1woh h ASP 30 N 2.11 -0.35 -3.66 0.00 3.32 -1.72 -2.90 116.42 113.21 1woh h ASP 30 Ca -0.26 -0.08 -0.68 0.00 0.02 0.00 0.00 57.03 56.03 1woh h ASP 30 Cb 1.25 0.09 -0.31 0.00 0.22 0.00 0.00 39.33 40.58 1woh h ASP 30 CO 0.33 -0.13 -0.86 -0.69 -1.72 0.00 0.00 179.24 176.17 1woh s VAL 31 N -5.52 2.22 -0.06 -1.35 1.01 0.02 -0.82 120.40 115.91 1woh s VAL 31 Ca -0.15 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 60.86 1woh s VAL 31 Cb 0.04 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.59 1woh s VAL 31 CO 0.61 0.56 -0.10 0.00 0.00 0.00 0.00 175.10 176.18 1woh s ALA 32 N 0.07 1.06 -0.03 5.51 0.00 -1.13 -1.07 121.76 126.18 1woh s ALA 32 Ca -0.10 -0.30 -0.03 0.00 0.00 0.00 0.00 51.96 51.53 1woh s ALA 32 Cb -0.16 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 1woh s ALA 32 CO 0.06 0.08 0.17 0.00 0.00 0.00 0.00 175.76 176.07 1woh s ALA 33 N 0.70 3.92 -0.09 0.00 0.00 0.01 0.47 121.76 126.77 1woh s ALA 33 Ca -0.13 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.04 1woh s ALA 33 Cb -0.15 -1.87 0.05 0.00 0.00 0.00 0.00 23.12 21.15 1woh s ALA 33 CO 0.03 0.72 0.19 -1.17 0.00 0.00 0.00 175.76 175.53 1woh s LEU 34 N -1.78 0.12 0.21 0.00 2.96 0.32 -0.92 118.68 119.58 1woh s LEU 34 Ca 0.25 0.40 -0.06 0.00 -0.22 0.00 0.00 54.13 54.50 1woh s LEU 34 Cb -0.12 0.43 -0.06 0.00 0.50 0.00 0.00 46.19 46.94 1woh s LEU 34 CO 0.16 -0.21 0.47 -0.83 -1.32 0.00 0.00 176.35 174.61 1woh s GLY 35 N 1.94 2.12 -0.41 7.98 0.00 0.01 -1.09 107.32 117.87 1woh s GLY 35 Ca -0.02 -0.50 0.02 0.00 0.00 0.00 0.00 44.72 44.22 1woh s GLY 35 CO -0.07 -0.41 0.29 0.14 0.00 0.00 0.00 173.10 173.06 1woh s VAL 36 N -1.82 0.54 -1.12 1.40 1.01 0.61 -1.53 120.40 119.49 1woh s VAL 36 Ca 0.43 -2.41 -0.10 0.00 0.00 0.00 0.00 61.98 59.90 1woh s VAL 36 Cb -0.11 -1.38 -0.07 0.00 0.00 0.00 0.00 36.38 34.81 1woh s VAL 36 CO 0.25 -1.10 2.30 -0.81 0.00 0.00 0.00 175.10 175.74 1woh n PRO 37 N 3.28 2.46 -4.06 2.72 -0.04 -1.26 -3.11 135.00 134.99 1woh n PRO 37 Ca 0.21 -1.80 -0.33 0.00 -0.04 0.00 0.00 63.50 61.53 1woh n PRO 37 Cb 0.42 -2.69 -0.15 0.00 -0.04 0.00 0.00 33.50 31.04 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 3.33 2.89 -0.01 0.54 5.36 -1.26 -4.71 117.98 124.12 1woh s PHE 38 Ca 0.50 -1.59 0.02 0.00 -0.96 0.00 0.00 56.93 54.90 1woh s PHE 38 Cb 0.13 -1.97 0.03 0.00 -0.34 0.00 0.00 43.02 40.87 1woh s PHE 38 CO -0.02 -0.77 0.87 -0.40 -1.46 0.00 0.00 175.22 173.45 1woh n ASP 39 N 4.64 0.33 -0.09 6.13 5.68 -1.26 -0.36 116.55 131.62 1woh n ASP 39 Ca -0.19 -1.83 0.13 0.00 -0.50 0.00 0.00 54.79 52.40 1woh n ASP 39 Cb 0.49 -0.16 0.71 0.00 -1.14 0.00 0.00 41.12 41.02 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 -0.17 0.02 0.47 2.12 -5.35 -1.26 -3.52 119.36 111.67 1woh n ILE 40 Ca 0.02 -0.05 0.11 0.00 -0.27 0.00 0.00 62.75 62.56 1woh n ILE 40 Cb 0.62 -0.25 -0.03 0.00 -1.74 0.00 0.00 39.64 38.23 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 -0.70 3.37 -1.54 -1.28 0.00 -1.26 -4.95 120.51 114.15 1woh n ALA 41 Ca 0.19 -0.43 -0.32 0.00 0.00 0.00 0.00 53.44 52.88 1woh n ALA 41 Cb 0.13 -0.92 0.04 0.00 0.00 0.00 0.00 19.45 18.71 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 -4.05 3.29 0.00 0.00 0.05 -1.23 -3.12 118.68 113.62 1woh s LEU 42 Ca 0.02 1.79 0.20 0.00 0.05 0.00 0.00 54.13 56.19 1woh s LEU 42 Cb 0.14 -4.52 0.48 0.00 -2.05 0.00 0.00 46.19 40.24 1woh s LEU 42 CO 0.83 -1.49 1.41 0.61 -0.55 0.00 0.00 176.35 177.16 1woh n GLY 43 N -1.24 2.12 0.00 -3.48 0.00 -1.26 -4.94 105.19 96.40 1woh n GLY 43 Ca 0.09 -0.69 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 1.36 0.00 -3.54 1.61 -0.00 -1.26 -5.10 117.46 110.53 1woh n PHE 44 Ca 0.20 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 57.24 1woh n PHE 44 Cb 0.57 0.00 -0.11 0.00 -0.00 0.00 0.00 39.48 39.94 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 0.67 3.44 0.92 -4.13 0.52 -1.26 -5.09 118.95 114.03 1woh s ARG 45 Ca 0.00 -0.68 -0.12 0.00 -0.52 0.00 0.00 55.73 54.41 1woh s ARG 45 Cb 0.00 -3.78 0.14 0.00 0.52 0.00 0.00 34.95 31.83 1woh s ARG 45 CO 0.00 -0.46 1.09 -2.14 0.02 0.00 0.00 175.30 173.81 1woh s PRO 46 N 1.70 1.06 0.00 3.54 0.02 -1.26 -4.46 135.00 135.60 1woh s PRO 46 Ca 0.06 0.74 0.00 0.00 0.02 0.00 0.00 61.00 61.82 1woh s PRO 46 Cb -0.17 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.55 1woh s PRO 46 CO 0.10 -2.36 0.00 0.41 -0.33 0.00 0.00 177.00 174.82 1woh n GLY 47 N -1.14 1.06 0.26 0.52 0.00 -1.26 -4.95 105.19 99.68 1woh n GLY 47 Ca 0.07 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.25 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 1.03 0.00 4.61 0.00 -1.85 -0.37 119.26 122.67 1woh h ALA 48 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 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 -0.03 -0.04 0.07 0.00 0.00 0.00 179.25 179.25 1woh h ARG 49 N 0.00 0.00 -0.02 0.00 0.11 -1.84 -0.27 114.38 112.36 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 0.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.14 1woh h ARG 49 CO 0.00 0.04 -0.16 1.19 0.10 0.00 0.00 179.97 181.14 1woh n PHE 50 N -3.26 0.00 -0.18 4.08 3.72 -0.15 -4.38 117.46 117.29 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 0.22 -0.04 0.02 0.00 -0.94 0.00 0.00 39.48 38.74 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 4.12 0.66 -0.73 4.37 0.00 -1.24 -1.84 119.26 124.60 1woh h ALA 51 Ca 0.00 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 54.91 1woh h ALA 51 Cb 0.64 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 1woh h ALA 51 CO 0.00 0.21 0.36 -1.35 0.00 0.00 0.00 179.25 178.47 1woh h PRO 52 N 0.69 0.57 -0.25 0.00 0.11 -1.74 0.22 132.00 131.60 1woh h PRO 52 Ca 0.18 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.22 1woh h PRO 52 Cb 0.09 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 1woh h PRO 52 CO -0.03 0.38 0.02 -0.09 -0.21 0.00 0.00 178.00 178.07 1woh h ARG 53 N 0.59 0.44 -0.86 1.05 2.43 -1.80 -1.83 114.38 114.39 1woh h ARG 53 Ca 0.37 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.39 1woh h ARG 53 Cb 0.43 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.90 1woh h ARG 53 CO -0.30 0.59 0.47 0.00 -1.51 0.00 0.00 179.97 179.22 1woh h ALA 54 N 0.83 1.20 -0.62 2.80 0.00 -0.60 -1.94 119.26 120.94 1woh h ALA 54 Ca 0.07 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1woh h ALA 54 Cb 0.38 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1woh h ALA 54 CO 0.01 0.64 0.02 -0.07 0.00 0.00 0.00 179.25 179.85 1woh h LEU 55 N 1.20 1.04 -0.23 0.00 3.38 -0.45 0.06 115.31 120.31 1woh h LEU 55 Ca 0.30 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1woh h LEU 55 Cb 0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1woh h LEU 55 CO -0.05 1.07 0.12 0.03 0.09 0.00 0.00 178.44 179.71 1woh h ARG 56 N 0.98 0.32 -0.25 1.13 3.08 -0.96 0.65 114.38 119.33 1woh h ARG 56 Ca 0.18 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1woh h ARG 56 Cb 0.53 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1woh h ARG 56 CO 0.03 0.30 0.14 0.93 -1.07 0.00 0.00 179.97 180.30 1woh h GLU 57 N 0.26 0.34 0.00 0.04 5.08 -1.18 -2.44 114.58 116.68 1woh h GLU 57 Ca 0.08 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1woh h GLU 57 Cb 0.07 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1woh h GLU 57 CO -0.01 0.29 -0.16 0.00 -1.00 0.00 0.00 179.01 178.13 1woh h ALA 58 N 1.03 1.65 0.00 3.43 0.00 -0.79 -2.01 119.26 122.57 1woh h ALA 58 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1woh h ALA 58 Cb 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1woh h ALA 58 CO -0.02 0.20 0.00 0.66 0.00 0.00 0.00 179.25 180.09 1woh h SER 59 N 0.00 0.00 0.52 0.00 4.64 -0.36 -1.97 113.55 116.38 1woh h SER 59 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1woh h SER 59 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1woh h SER 59 CO 0.02 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.16 1woh n LEU 60 N -2.86 0.42 0.02 5.97 4.77 -0.76 -0.03 117.00 124.54 1woh n LEU 60 Ca -0.00 0.62 0.12 0.00 -0.03 0.00 0.00 56.01 56.72 1woh n LEU 60 Cb 0.22 -0.58 0.31 0.00 -2.33 0.00 0.00 43.42 41.03 1woh n LEU 60 CO 0.23 -0.52 0.54 0.54 -1.33 0.00 0.00 177.39 176.85 1woh n ARG 61 N -1.98 0.09 -3.10 3.23 5.12 -0.74 -4.28 116.66 114.99 1woh n ARG 61 Ca 0.02 0.03 -0.22 0.00 -1.93 0.00 0.00 57.85 55.75 1woh n ARG 61 Cb 0.17 -1.56 -0.04 0.00 -1.16 0.00 0.00 32.46 29.88 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 -1.69 2.22 -4.71 0.55 7.64 0.96 -5.09 113.62 113.50 1woh n SER 62 Ca 0.05 -3.26 -0.41 0.00 1.01 0.00 0.00 58.87 56.26 1woh n SER 62 Cb 0.37 -0.60 -0.04 0.00 -1.01 0.00 0.00 64.21 62.93 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 -3.17 4.98 0.73 0.44 1.01 -1.18 -4.85 120.40 118.36 1woh s VAL 63 Ca 0.43 1.63 -0.11 0.00 0.00 0.00 0.00 61.98 63.93 1woh s VAL 63 Cb 0.32 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.60 1woh s VAL 63 CO -0.10 0.20 1.07 -2.16 0.00 0.00 0.00 175.10 174.11 1woh s PRO 64 N 1.03 2.63 0.97 2.72 0.04 -1.26 -4.73 135.00 136.41 1woh s PRO 64 Ca 0.41 0.86 -0.16 0.00 0.04 0.00 0.00 61.00 62.15 1woh s PRO 64 Cb -0.18 -1.96 0.22 0.00 0.04 0.00 0.00 34.50 32.61 1woh s PRO 64 CO 0.20 -1.29 1.33 -1.25 0.04 0.00 0.00 177.00 176.03 1woh s PRO 65 N -5.08 0.47 -0.06 0.56 0.04 -1.26 -5.12 135.00 124.55 1woh s PRO 65 Ca 0.59 -0.55 0.02 0.00 0.04 0.00 0.00 61.00 61.09 1woh s PRO 65 Cb -0.14 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.56 1woh s PRO 65 CO 0.55 -2.50 -0.09 -0.06 0.04 0.00 0.00 177.00 174.93 1woh s PHE 66 N -3.90 1.22 -0.29 0.56 0.40 -0.68 -4.97 117.98 110.31 1woh s PHE 66 Ca 0.76 -0.45 -0.07 0.00 -0.60 0.00 0.00 56.93 56.57 1woh s PHE 66 Cb -0.03 -0.95 0.00 0.00 0.51 0.00 0.00 43.02 42.55 1woh s PHE 66 CO 0.53 -0.27 0.09 0.99 0.70 0.00 0.00 175.22 177.26 1woh s THR 67 N 0.88 4.13 0.77 0.64 2.01 -1.26 -0.15 115.64 122.65 1woh s THR 67 Ca -0.11 -0.58 -0.13 0.00 0.31 0.00 0.00 61.69 61.18 1woh s THR 67 Cb -0.15 -3.11 0.19 0.00 0.01 0.00 0.00 72.50 69.44 1woh s THR 67 CO 0.01 0.10 0.80 0.61 -0.69 0.00 0.00 174.62 175.45 1woh n GLY 68 N 4.90 -2.19 0.14 4.40 0.00 0.17 -4.87 105.19 107.74 1woh n GLY 68 Ca -0.15 -1.56 0.12 0.00 0.00 0.00 0.00 46.02 44.44 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 0.00 -0.92 0.99 5.85 -1.99 -2.03 115.31 117.21 1woh h LEU 69 Ca -0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1woh h LEU 69 Cb 0.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1woh h LEU 69 CO 0.19 0.00 0.00 -0.90 -0.34 0.00 0.00 178.44 177.39 1woh n ASP 70 N -2.31 1.42 0.00 1.25 5.68 -1.26 -4.91 116.55 116.43 1woh n ASP 70 Ca 0.02 -1.50 0.00 0.00 -0.50 0.00 0.00 54.79 52.81 1woh n ASP 70 Cb 0.25 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 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 1.15 2.36 3.76 6.12 0.00 -0.76 -5.02 105.19 112.81 1woh n GLY 71 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.31 4.45 -0.05 1.61 1.02 -1.26 -4.73 119.74 120.47 1woh s LYS 72 Ca 0.00 1.88 0.02 0.00 0.02 0.00 0.00 55.97 57.89 1woh s LYS 72 Cb 0.00 -3.04 -0.03 0.00 -0.52 0.00 0.00 37.83 34.24 1woh s LYS 72 CO 0.00 0.02 -0.09 0.99 -0.92 0.00 0.00 175.35 175.35 1woh s THR 73 N -1.23 3.52 0.10 2.17 2.01 -1.26 -0.65 115.64 120.29 1woh s THR 73 Ca 0.48 -0.62 0.09 0.00 0.31 0.00 0.00 61.69 61.95 1woh s THR 73 Cb -0.33 -2.45 -0.03 0.00 0.01 0.00 0.00 72.50 69.70 1woh s THR 73 CO 0.42 0.55 -0.22 -0.13 -0.69 0.00 0.00 174.62 174.55 1woh s ARG 74 N -0.94 1.22 -0.62 4.92 0.52 0.79 -4.70 118.95 120.14 1woh s ARG 74 Ca 0.13 -1.17 0.00 0.00 -0.52 0.00 0.00 55.73 54.18 1woh s ARG 74 Cb -0.11 -1.50 0.00 0.00 0.52 0.00 0.00 34.95 33.86 1woh s ARG 74 CO 0.03 0.36 0.00 1.28 0.02 0.00 0.00 175.30 176.98 1woh n LEU 75 N 1.16 -0.37 -4.67 2.53 4.77 -1.26 -1.68 117.00 117.47 1woh n LEU 75 Ca -0.19 0.14 -0.42 0.00 -0.03 0.00 0.00 56.01 55.51 1woh n LEU 75 Cb 0.53 -1.25 -0.03 0.00 -2.33 0.00 0.00 43.42 40.34 1woh n LEU 75 CO 0.22 -0.35 1.28 -1.58 -1.33 0.00 0.00 177.39 175.63 1woh s GLN 76 N -2.29 4.21 0.00 3.23 2.00 -1.26 -2.20 119.66 123.35 1woh s GLN 76 Ca 0.00 2.10 0.00 0.00 -2.00 0.00 0.00 55.36 55.46 1woh s GLN 76 Cb 0.00 -3.82 0.00 0.00 0.80 0.00 0.00 33.01 29.99 1woh s GLN 76 CO 0.00 -0.76 0.00 0.41 -0.50 0.00 0.00 175.29 174.44 1woh n GLY 77 N 3.95 1.94 3.69 2.59 0.00 -1.26 -5.01 105.19 111.09 1woh n GLY 77 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.72 4.16 -0.06 1.61 1.01 -0.93 -5.01 120.40 118.46 1woh s VAL 78 Ca 0.00 1.49 -0.13 0.00 0.00 0.00 0.00 61.98 63.34 1woh s VAL 78 Cb 0.00 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 1woh s VAL 78 CO 0.00 -0.00 0.34 0.42 0.00 0.00 0.00 175.10 175.86 1woh s THR 79 N 2.26 5.18 0.24 3.92 -4.23 -1.26 -4.98 115.64 116.77 1woh s THR 79 Ca 0.57 0.67 0.10 0.00 -1.18 0.00 0.00 61.69 61.85 1woh s THR 79 Cb -0.26 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 69.89 1woh s THR 79 CO 0.23 0.54 -0.09 -0.36 -0.54 0.00 0.00 174.62 174.40 1woh s PHE 80 N -0.68 2.56 0.04 3.99 0.40 -1.26 -0.80 117.98 122.24 1woh s PHE 80 Ca 0.21 -0.25 -0.14 0.00 -0.60 0.00 0.00 56.93 56.15 1woh s PHE 80 Cb -0.15 -1.17 0.02 0.00 0.51 0.00 0.00 43.02 42.23 1woh s PHE 80 CO 0.10 0.61 0.30 0.00 0.70 0.00 0.00 175.22 176.93 1woh s ALA 81 N -2.17 -0.67 -0.24 5.36 0.00 -0.23 -4.28 121.76 119.53 1woh s ALA 81 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1woh s ALA 81 Cb -0.07 0.31 0.06 0.00 0.00 0.00 0.00 23.12 23.43 1woh s ALA 81 CO 0.17 -0.41 -0.03 0.34 0.00 0.00 0.00 175.76 175.84 1woh s ASP 82 N -2.04 3.73 -0.03 0.00 -1.08 -0.68 -0.81 116.67 115.76 1woh s ASP 82 Ca -0.05 -1.17 0.05 0.00 -0.52 0.00 0.00 52.55 50.85 1woh s ASP 82 Cb -0.01 -1.07 0.20 0.00 -1.46 0.00 0.00 42.92 40.58 1woh s ASP 82 CO -0.03 -0.26 0.99 0.00 0.52 0.00 0.00 175.17 176.38 1woh n ALA 83 N 4.73 2.69 -0.45 3.66 0.00 -0.10 -0.53 120.51 130.50 1woh n ALA 83 Ca -0.10 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1woh n ALA 83 Cb 0.44 -1.01 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 0.48 0.33 3.48 0.00 0.00 -1.26 -4.16 105.19 104.08 1woh n GLY 84 Ca 0.07 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 44.97 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 3.71 0.29 1.61 1.01 -1.26 -0.81 116.67 117.22 1woh s ASP 85 Ca 0.00 -0.89 -0.29 0.00 0.71 0.00 0.00 52.55 52.08 1woh s ASP 85 Cb 0.00 -0.39 -0.10 0.00 1.01 0.00 0.00 42.92 43.44 1woh s ASP 85 CO 0.00 0.07 1.28 -0.69 0.21 0.00 0.00 175.17 176.04 1woh s VAL 86 N -2.13 2.95 -0.73 -1.27 1.01 -0.58 -4.92 120.40 114.73 1woh s VAL 86 Ca 0.27 0.90 -0.25 0.00 0.00 0.00 0.00 61.98 62.89 1woh s VAL 86 Cb -0.06 -3.57 0.05 0.00 0.00 0.00 0.00 36.38 32.79 1woh s VAL 86 CO 0.14 0.19 1.18 -0.63 0.00 0.00 0.00 175.10 175.98 1woh s ILE 87 N -0.77 3.94 0.21 2.22 1.01 -1.26 -4.80 121.20 121.76 1woh s ILE 87 Ca 0.51 0.08 -0.10 0.00 0.00 0.00 0.00 60.65 61.14 1woh s ILE 87 Cb -0.38 -4.84 -0.07 0.00 0.01 0.00 0.00 42.46 37.18 1woh s ILE 87 CO 0.47 -1.72 0.55 -0.76 0.00 0.00 0.00 174.94 173.47 1woh s LEU 88 N 5.11 4.20 0.76 2.97 1.43 -1.26 -5.00 118.68 126.89 1woh s LEU 88 Ca 0.31 0.94 -0.03 0.00 -1.03 0.00 0.00 54.13 54.32 1woh s LEU 88 Cb -0.11 -3.61 0.14 0.00 0.03 0.00 0.00 46.19 42.65 1woh s LEU 88 CO 0.12 -0.04 1.05 -2.16 0.23 0.00 0.00 176.35 175.55 1woh s PRO 89 N -2.66 1.51 0.08 1.29 0.04 -1.26 -5.06 135.00 128.94 1woh s PRO 89 Ca 0.46 -1.02 -0.20 0.00 0.04 0.00 0.00 61.00 60.28 1woh s PRO 89 Cb -0.12 -2.26 -0.07 0.00 0.04 0.00 0.00 34.50 32.10 1woh s PRO 89 CO 0.21 -1.60 0.58 -1.12 0.04 0.00 0.00 177.00 175.11 1woh s SER 90 N -4.76 7.08 0.88 6.66 0.01 -1.26 -4.85 113.70 117.45 1woh s SER 90 Ca 0.68 1.28 0.00 0.00 1.31 0.00 0.00 55.95 59.22 1woh s SER 90 Cb -0.05 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.81 1woh s SER 90 CO 0.46 0.27 0.00 0.18 0.41 0.00 0.00 173.24 174.56 1woh n LEU 91 N 1.69 0.00 -3.86 2.44 4.77 -1.26 -4.88 117.00 115.90 1woh n LEU 91 Ca -0.10 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.52 1woh n LEU 91 Cb 0.51 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.62 1woh n LEU 91 CO 0.41 0.00 -0.13 -0.62 -1.33 0.00 0.00 177.39 175.72 1woh n GLU 92 N 14.00 -0.83 -0.30 3.23 -0.58 -1.26 -4.75 120.64 130.15 1woh n GLU 92 Ca 0.00 0.39 0.01 0.00 -0.42 0.00 0.00 57.16 57.14 1woh n GLU 92 Cb 0.00 -3.07 0.14 0.00 -0.57 0.00 0.00 31.44 27.94 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 -1.80 0.89 -0.58 3.49 0.13 -1.96 -1.38 132.00 130.79 1woh h PRO 93 Ca -0.65 -0.05 0.04 0.00 -0.87 0.00 0.00 66.00 64.46 1woh h PRO 93 Cb 1.37 -0.20 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 1woh h PRO 93 CO 0.47 0.59 0.34 0.37 -0.23 0.00 0.00 178.00 179.53 1woh h GLN 94 N 0.92 0.63 -0.52 0.86 4.15 -2.00 0.13 115.11 119.29 1woh h GLN 94 Ca 0.37 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.70 1woh h GLN 94 Cb 0.20 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 1woh h GLN 94 CO -0.18 0.42 0.13 1.25 -1.93 0.00 0.00 178.83 178.52 1woh h LEU 95 N 0.65 0.78 -0.36 -2.39 5.85 -1.81 -2.27 115.31 115.76 1woh h LEU 95 Ca 0.24 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1woh h LEU 95 Cb 0.07 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1woh h LEU 95 CO -0.13 0.81 0.17 0.00 -0.34 0.00 0.00 178.44 178.95 1woh h ALA 96 N 1.00 0.44 -0.47 1.25 0.00 -0.61 -1.99 119.26 118.89 1woh h ALA 96 Ca 0.16 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1woh h ALA 96 Cb 0.33 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1woh h ALA 96 CO 0.00 -0.20 0.16 0.45 0.00 0.00 0.00 179.25 179.66 1woh h HIS 97 N 0.35 0.29 -0.88 0.00 3.86 -0.74 -0.20 115.15 117.83 1woh h HIS 97 Ca 0.16 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.37 1woh h HIS 97 Cb 0.08 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.45 1woh h HIS 97 CO -0.11 0.09 0.45 -0.44 0.86 0.00 0.00 177.93 178.79 1woh h ASP 98 N 0.33 1.13 0.14 2.45 3.32 -1.00 -0.84 116.42 121.94 1woh h ASP 98 Ca 0.22 -0.12 -0.14 0.00 0.02 0.00 0.00 57.03 57.02 1woh h ASP 98 Cb 0.23 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1woh h ASP 98 CO -0.23 0.93 -0.50 0.03 -1.72 0.00 0.00 179.24 177.75 1woh h ARG 99 N 1.24 0.41 0.14 3.56 3.08 -0.87 -1.59 114.38 120.36 1woh h ARG 99 Ca 0.31 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1woh h ARG 99 Cb 0.07 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1woh h ARG 99 CO -0.04 0.82 -0.07 0.82 -1.07 0.00 0.00 179.97 180.42 1woh h ILE 100 N 0.33 0.94 -0.25 2.04 2.04 -0.57 -1.29 117.51 120.75 1woh h ILE 100 Ca 0.01 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.54 1woh h ILE 100 Cb 0.99 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 1woh h ILE 100 CO 0.09 0.08 0.15 0.74 0.00 0.00 0.00 178.15 179.21 1woh h THR 101 N -0.36 1.03 -0.23 -0.27 2.02 -1.10 0.91 112.91 114.92 1woh h THR 101 Ca -0.02 -0.10 0.04 0.00 0.77 0.00 0.00 66.41 67.10 1woh h THR 101 Cb 0.28 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 1woh h THR 101 CO 0.03 0.06 -0.04 -0.08 0.37 0.00 0.00 175.52 175.86 1woh h GLU 102 N 0.30 0.02 -0.74 6.66 4.57 -1.25 0.23 114.58 124.38 1woh h GLU 102 Ca 0.10 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 1woh h GLU 102 Cb -0.01 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 1woh h GLU 102 CO -0.04 0.01 0.33 0.00 -1.18 0.00 0.00 179.01 178.13 1woh h ALA 103 N 1.22 0.96 -0.34 2.92 0.00 -0.96 -0.63 119.26 122.42 1woh h ALA 103 Ca 0.11 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1woh h ALA 103 Cb 0.16 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1woh h ALA 103 CO -0.22 0.54 0.21 0.00 0.00 0.00 0.00 179.25 179.79 1woh h ALA 104 N 1.16 0.44 -0.13 0.00 0.00 -0.12 -0.28 119.26 120.32 1woh h ALA 104 Ca 0.25 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1woh h ALA 104 Cb 0.16 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1woh h ALA 104 CO -0.03 -0.07 0.01 0.00 0.00 0.00 0.00 179.25 179.15 1woh h ARG 105 N 0.45 0.05 -0.79 0.00 3.08 -0.17 0.74 114.38 117.75 1woh h ARG 105 Ca 0.12 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.20 1woh h ARG 105 Cb -0.01 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 1woh h ARG 105 CO -0.02 0.03 0.50 1.96 -1.07 0.00 0.00 179.97 181.37 1woh h GLN 106 N 0.05 0.95 -0.13 0.04 4.20 -0.84 -1.87 115.11 117.51 1woh h GLN 106 Ca 0.06 -0.06 -0.23 0.00 0.06 0.00 0.00 58.65 58.49 1woh h GLN 106 Cb 0.07 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 27.64 1woh h GLN 106 CO -0.10 0.63 -0.82 0.28 -0.67 0.00 0.00 178.83 178.15 1woh h VAL 107 N 0.98 1.28 -0.42 -0.54 2.07 -0.75 -3.21 116.25 115.67 1woh h VAL 107 Ca 0.32 -2.02 -0.04 0.00 0.82 0.00 0.00 66.70 65.78 1woh h VAL 107 Cb 0.01 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1woh h VAL 107 CO -0.11 0.64 0.11 -0.09 0.02 0.00 0.00 177.57 178.13 1woh h ARG 108 N 0.51 0.62 0.00 1.57 1.12 -0.65 -1.24 114.38 116.30 1woh h ARG 108 Ca -0.06 -0.10 0.00 0.00 -1.11 0.00 0.00 59.98 58.70 1woh h ARG 108 Cb 1.45 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 31.30 1woh h ARG 108 CO 0.17 0.56 0.00 0.41 -3.11 0.00 0.00 179.97 177.99 1woh n GLY 109 N -1.02 -0.90 0.09 2.80 0.00 -0.72 -3.09 105.19 102.35 1woh n GLY 109 Ca 0.03 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.08 0.33 -4.07 1.61 1.74 -0.49 -5.05 116.66 109.64 1woh n ARG 110 Ca 0.17 -0.90 -0.11 0.00 -0.77 0.00 0.00 57.85 56.25 1woh n ARG 110 Cb 0.12 -1.04 -0.07 0.00 -1.02 0.00 0.00 32.46 30.45 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 2.34 0.02 -4.40 0.00 2.43 -1.02 -3.45 114.38 110.30 1woh h ARG 112 Ca -0.29 -0.04 -0.64 0.00 -0.81 0.00 0.00 59.98 58.20 1woh h ARG 112 Cb 1.25 0.01 -0.40 0.00 -0.42 0.00 0.00 29.97 30.42 1woh h ARG 112 CO 0.41 1.02 -0.74 0.08 -1.51 0.00 0.00 179.97 179.23 1woh s VAL 113 N -2.37 1.87 0.15 0.20 1.01 0.00 -4.80 120.40 116.46 1woh s VAL 113 Ca -0.28 -1.97 -0.28 0.00 0.00 0.00 0.00 61.98 59.45 1woh s VAL 113 Cb 0.06 -2.34 -0.07 0.00 0.00 0.00 0.00 36.38 34.03 1woh s VAL 113 CO 0.61 -0.53 0.87 -2.16 0.00 0.00 0.00 175.10 173.89 1woh s PRO 114 N 1.13 4.68 -0.21 2.72 0.04 -1.26 -2.84 135.00 139.25 1woh s PRO 114 Ca 0.08 1.32 -0.03 0.00 0.04 0.00 0.00 61.00 62.40 1woh s PRO 114 Cb -0.19 -3.31 -0.00 0.00 0.04 0.00 0.00 34.50 31.04 1woh s PRO 114 CO -0.12 0.42 -0.07 0.08 0.04 0.00 0.00 177.00 177.35 1woh s VAL 115 N -0.69 3.15 -0.21 -0.36 1.01 0.18 -2.25 120.40 121.23 1woh s VAL 115 Ca 0.41 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.74 1woh s VAL 115 Cb -0.24 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1woh s VAL 115 CO 0.28 0.44 0.06 -0.36 0.00 0.00 0.00 175.10 175.53 1woh s PHE 116 N 1.44 3.18 -0.37 5.22 0.40 0.22 -0.52 117.98 127.54 1woh s PHE 116 Ca 0.06 -0.10 -0.08 0.00 -0.60 0.00 0.00 56.93 56.20 1woh s PHE 116 Cb -0.14 -2.14 0.05 0.00 0.51 0.00 0.00 43.02 41.30 1woh s PHE 116 CO -0.05 -0.04 0.18 -0.51 0.70 0.00 0.00 175.22 175.50 1woh s LEU 117 N 0.84 4.70 0.00 -0.37 1.43 -0.25 -0.80 118.68 124.22 1woh s LEU 117 Ca 0.03 -1.24 -0.15 0.00 -1.03 0.00 0.00 54.13 51.75 1woh s LEU 117 Cb -0.14 -1.94 0.21 0.00 0.03 0.00 0.00 46.19 44.35 1woh s LEU 117 CO 0.02 -0.41 1.26 0.61 0.23 0.00 0.00 176.35 178.06 1woh n GLY 118 N 4.89 -1.28 0.00 -3.19 0.00 -0.29 -0.28 105.19 105.03 1woh n GLY 118 Ca -0.11 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.35 -0.00 3.71 -0.02 0.00 -0.26 -3.35 105.19 101.91 1woh n GLY 119 Ca 0.16 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.22 2.05 0.44 1.61 1.47 0.52 -1.21 116.67 120.32 1woh s ASP 120 Ca 0.00 0.67 0.30 0.00 1.18 0.00 0.00 52.55 54.70 1woh s ASP 120 Cb 0.00 -0.98 1.32 0.00 -0.34 0.00 0.00 42.92 42.92 1woh s ASP 120 CO 0.00 -3.43 1.90 -0.74 0.68 0.00 0.00 175.17 173.58 1woh h HIS 121 N -2.11 0.00 0.00 2.11 -0.00 -1.90 -2.94 115.15 110.31 1woh h HIS 121 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 1woh h HIS 121 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.70 1woh h HIS 121 CO -1.21 0.00 0.00 0.66 -0.00 0.00 0.00 177.93 177.38 1woh h SER 122 N 0.00 0.00 0.72 3.26 4.64 -1.80 -1.57 113.55 118.80 1woh h SER 122 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1woh h SER 122 Cb 0.37 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1woh h SER 122 CO 0.00 0.00 -0.11 -0.37 -0.87 0.00 0.00 176.83 175.48 1woh h VAL 123 N 0.00 0.34 -0.14 0.95 -1.51 -1.87 -2.93 116.25 111.09 1woh h VAL 123 Ca 0.00 -0.68 0.04 0.00 -1.23 0.00 0.00 66.70 64.83 1woh h VAL 123 Cb 0.06 1.51 -0.01 0.00 -2.13 0.00 0.00 31.29 30.72 1woh h VAL 123 CO 0.00 0.11 0.11 0.28 -1.23 0.00 0.00 177.57 176.84 1woh h SER 124 N 0.00 0.00 0.22 4.19 0.02 -1.53 -1.91 113.55 114.55 1woh h SER 124 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1woh h SER 124 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1woh h SER 124 CO 0.01 0.00 -0.10 0.22 -1.14 0.00 0.00 176.83 175.82 1woh h TYR 125 N 0.00 -0.27 0.00 3.45 3.20 -1.70 0.75 116.97 122.40 1woh h TYR 125 Ca 0.07 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1woh h TYR 125 Cb 0.29 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.65 1woh h TYR 125 CO 0.00 -0.17 0.01 -1.00 -1.64 0.00 0.00 178.16 175.36 1woh h PRO 126 N -0.39 0.00 -0.10 1.82 0.13 -1.74 -1.16 132.00 130.56 1woh h PRO 126 Ca -0.03 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.95 1woh h PRO 126 Cb 0.22 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.36 1woh h PRO 126 CO 0.05 0.00 -0.52 1.25 -0.23 0.00 0.00 178.00 178.55 1woh h LEU 127 N 0.00 0.62 -1.29 1.56 5.85 -1.24 -3.19 115.31 117.62 1woh h LEU 127 Ca 0.00 -0.65 -0.05 0.00 0.84 0.00 0.00 57.88 58.02 1woh h LEU 127 Cb 0.02 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1woh h LEU 127 CO 0.00 1.17 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.96 1woh h LEU 128 N 0.11 0.00 -2.29 2.25 3.38 0.39 -2.79 115.31 116.36 1woh h LEU 128 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1woh h LEU 128 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1woh h LEU 128 CO 0.11 0.24 0.00 0.03 0.09 0.00 0.00 178.44 178.91 1woh h ARG 129 N 0.00 0.00 -0.02 1.13 3.08 -1.41 0.13 114.38 117.29 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 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1woh h ARG 129 CO 0.03 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.93 1woh n ALA 130 N -1.94 2.62 -1.34 0.04 0.00 -1.05 -3.54 120.51 115.30 1woh n ALA 130 Ca -0.02 -0.31 0.04 0.00 0.00 0.00 0.00 53.44 53.14 1woh n ALA 130 Cb 0.05 -1.33 0.20 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.42 0.48 0.31 0.00 3.01 0.46 -4.72 117.46 116.58 1woh n PHE 131 Ca 0.20 -1.32 0.19 0.00 1.01 0.00 0.00 57.45 57.54 1woh n PHE 131 Cb 0.22 -0.31 1.04 0.00 -0.01 0.00 0.00 39.48 40.41 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 0.89 1.14 -0.38 4.37 0.00 -1.68 -2.30 119.26 121.30 1woh h ALA 132 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1woh h ALA 132 Cb 1.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1woh h ALA 132 CO 0.15 0.02 0.00 -0.40 0.00 0.00 0.00 179.25 179.02 1woh n ASP 133 N -3.30 2.72 -4.57 0.00 3.85 -1.26 -4.80 116.55 109.18 1woh n ASP 133 Ca -0.02 -1.91 -0.42 0.00 -0.71 0.00 0.00 54.79 51.72 1woh n ASP 133 Cb 0.12 -0.25 -0.06 0.00 -1.35 0.00 0.00 41.12 39.59 1woh n ASP 133 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1woh s VAL 134 N -1.51 4.83 0.22 2.12 1.01 -0.87 -5.03 120.40 121.18 1woh s VAL 134 Ca 0.36 0.66 -0.30 0.00 0.00 0.00 0.00 61.98 62.70 1woh s VAL 134 Cb 0.20 -4.13 -0.10 0.00 0.00 0.00 0.00 36.38 32.35 1woh s VAL 134 CO 0.27 -0.37 1.40 -2.16 0.00 0.00 0.00 175.10 174.25 1woh s PRO 135 N 2.84 4.31 -1.30 2.72 0.04 -1.26 -3.38 135.00 138.97 1woh s PRO 135 Ca 0.27 2.21 -0.07 0.00 0.04 0.00 0.00 61.00 63.44 1woh s PRO 135 Cb -0.14 -3.14 -0.00 0.00 0.04 0.00 0.00 34.50 31.25 1woh s PRO 135 CO 0.16 -0.37 0.58 -0.25 0.04 0.00 0.00 177.00 177.15 1woh n ASP 136 N 2.56 -2.08 -4.72 6.66 8.00 -1.23 -4.73 116.55 121.00 1woh n ASP 136 Ca 0.07 -0.99 -0.42 0.00 0.71 0.00 0.00 54.79 54.16 1woh n ASP 136 Cb 0.41 -3.26 -0.03 0.00 -0.02 0.00 0.00 41.12 38.22 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 -6.78 4.38 0.03 0.64 2.96 0.05 -4.34 118.68 115.61 1woh s LEU 137 Ca 0.16 2.35 0.06 0.00 -0.22 0.00 0.00 54.13 56.49 1woh s LEU 137 Cb -0.06 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 1woh s LEU 137 CO 0.87 -0.63 -0.17 -1.00 -1.32 0.00 0.00 176.35 174.11 1woh s HIS 138 N 0.84 2.60 -0.12 5.38 3.76 0.24 -1.67 115.29 126.32 1woh s HIS 138 Ca 0.63 -0.23 0.03 0.00 -0.15 0.00 0.00 55.06 55.33 1woh s HIS 138 Cb -0.37 -1.49 0.01 0.00 1.11 0.00 0.00 32.58 31.83 1woh s HIS 138 CO 0.32 0.25 -0.21 0.08 -0.85 0.00 0.00 174.74 174.33 1woh s VAL 139 N -0.91 1.97 -0.33 -0.90 1.01 -0.51 -0.59 120.40 120.14 1woh s VAL 139 Ca 0.14 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 61.11 1woh s VAL 139 Cb -0.11 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.56 1woh s VAL 139 CO 0.05 0.53 0.13 -0.69 0.00 0.00 0.00 175.10 175.12 1woh s VAL 140 N 0.72 4.18 -0.17 2.92 1.01 -0.74 -1.09 120.40 127.22 1woh s VAL 140 Ca -0.10 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 1woh s VAL 140 Cb -0.16 -3.25 -0.00 0.00 0.00 0.00 0.00 36.38 32.97 1woh s VAL 140 CO 0.01 -0.07 -0.13 -1.58 0.00 0.00 0.00 175.10 173.33 1woh s GLN 141 N 1.51 3.23 -0.23 2.72 0.74 0.03 -1.93 119.66 125.73 1woh s GLN 141 Ca 0.02 -0.73 -0.16 0.00 0.05 0.00 0.00 55.36 54.54 1woh s GLN 141 Cb -0.18 -2.72 -0.04 0.00 1.10 0.00 0.00 33.01 31.18 1woh s GLN 141 CO 0.04 -0.07 0.41 -0.51 -0.55 0.00 0.00 175.29 174.62 1woh s LEU 142 N 1.04 4.11 -0.15 3.68 1.43 -0.53 -0.81 118.68 127.46 1woh s LEU 142 Ca -0.01 0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 53.26 1woh s LEU 142 Cb -0.15 -2.52 0.10 0.00 0.03 0.00 0.00 46.19 43.65 1woh s LEU 142 CO -0.03 -0.14 0.83 -0.62 0.23 0.00 0.00 176.35 176.63 1woh s ASP 143 N 1.27 -0.55 0.29 2.29 -1.08 -0.67 -1.41 116.67 116.82 1woh s ASP 143 Ca 0.18 0.74 0.16 0.00 -0.52 0.00 0.00 52.55 53.11 1woh s ASP 143 Cb -0.15 0.64 0.09 0.00 -1.46 0.00 0.00 42.92 42.04 1woh s ASP 143 CO 0.09 -0.41 1.44 0.00 0.52 0.00 0.00 175.17 176.81 1woh h ALA 144 N 3.29 0.71 -2.22 3.66 0.00 -1.75 -2.71 119.26 120.25 1woh h ALA 144 Ca -0.25 -0.40 -0.58 0.00 0.00 0.00 0.00 54.91 53.68 1woh h ALA 144 Cb 1.15 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.75 1woh h ALA 144 CO 0.28 0.55 -0.76 -1.01 0.00 0.00 0.00 179.25 178.31 1woh s HIS 145 N -3.00 2.18 0.10 0.00 3.76 -1.26 -1.28 115.29 115.79 1woh s HIS 145 Ca 0.04 -0.38 -0.14 0.00 -0.15 0.00 0.00 55.06 54.43 1woh s HIS 145 Cb 0.07 -0.95 -0.10 0.00 1.11 0.00 0.00 32.58 32.71 1woh s HIS 145 CO 0.74 0.65 1.39 1.25 -0.85 0.00 0.00 174.74 177.92 1woh h LEU 146 N 2.34 0.82 -1.65 0.89 5.85 -1.96 -3.48 115.31 118.12 1woh h LEU 146 Ca -0.40 -0.51 -0.41 0.00 0.84 0.00 0.00 57.88 57.40 1woh h LEU 146 Cb 1.25 -0.23 0.07 0.00 0.37 0.00 0.00 40.66 42.12 1woh h LEU 146 CO 0.60 1.17 -0.81 0.47 -0.34 0.00 0.00 178.44 179.54 1woh n ASP 147 N -4.17 -1.84 -0.59 1.25 8.00 -1.26 -4.89 116.55 113.04 1woh n ASP 147 Ca -0.05 -0.77 0.06 0.00 0.71 0.00 0.00 54.79 54.74 1woh n ASP 147 Cb 0.54 -4.27 0.12 0.00 -0.02 0.00 0.00 41.12 37.49 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 -4.31 0.00 -2.44 1.24 7.35 -1.13 -3.01 117.46 115.15 1woh n PHE 148 Ca -0.26 -0.93 -0.37 0.00 -0.76 0.00 0.00 57.45 55.13 1woh n PHE 148 Cb 0.66 -0.17 -0.03 0.00 0.35 0.00 0.00 39.48 40.29 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 3.49 -0.06 -2.13 2.01 -0.41 -4.59 115.64 111.91 1woh s THR 149 Ca 0.30 1.19 -0.00 0.00 0.31 0.00 0.00 61.69 63.48 1woh s THR 149 Cb 0.29 -3.64 -0.00 0.00 0.01 0.00 0.00 72.50 69.16 1woh s THR 149 CO -0.05 0.05 -0.01 -0.78 -0.69 0.00 0.00 174.62 173.15 1woh h ASP 150 N 2.57 0.00 -4.12 3.53 3.58 -1.93 -3.37 116.42 116.69 1woh h ASP 150 Ca -0.48 0.00 -0.46 0.00 0.42 0.00 0.00 57.03 56.51 1woh h ASP 150 Cb 1.22 0.00 -0.29 0.00 1.72 0.00 0.00 39.33 41.98 1woh h ASP 150 CO 0.62 0.31 -0.80 -0.89 -2.88 0.00 0.00 179.24 175.60 1woh s THR 151 N -1.36 0.99 -0.06 2.25 2.01 -1.26 -4.57 115.64 113.65 1woh s THR 151 Ca -0.01 -0.53 -0.03 0.00 0.31 0.00 0.00 61.69 61.43 1woh s THR 151 Cb 0.00 -0.83 0.03 0.00 0.01 0.00 0.00 72.50 71.71 1woh s THR 151 CO 0.01 0.28 0.13 -0.60 -0.69 0.00 0.00 174.62 173.76 1woh s ARG 152 N -0.24 0.09 -1.48 4.92 3.52 -0.71 -4.89 118.95 120.16 1woh s ARG 152 Ca 0.04 0.32 -0.06 0.00 -0.13 0.00 0.00 55.73 55.90 1woh s ARG 152 Cb -0.05 -0.13 0.05 0.00 -1.56 0.00 0.00 34.95 33.25 1woh s ARG 152 CO -0.00 -0.14 0.61 0.09 -0.81 0.00 0.00 175.30 175.05 1woh n ASN 153 N 3.96 -1.65 -2.24 -2.12 4.13 -1.26 -1.78 115.26 114.30 1woh n ASN 153 Ca -0.24 -0.95 -0.20 0.00 1.68 0.00 0.00 54.58 54.87 1woh n ASN 153 Cb 0.53 -3.23 -0.01 0.00 -1.54 0.00 0.00 39.78 35.53 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 -2.91 -5.71 -3.92 6.41 8.00 -1.26 -5.00 116.55 112.16 1woh n ASP 154 Ca -0.18 0.01 -0.09 0.00 0.71 0.00 0.00 54.79 55.24 1woh n ASP 154 Cb 0.62 -4.75 -0.09 0.00 -0.02 0.00 0.00 41.12 36.88 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 -2.99 0.13 -0.75 -3.53 -1.32 -0.73 -5.03 115.64 101.42 1woh s THR 155 Ca 0.00 -1.09 0.18 0.00 -1.21 0.00 0.00 61.69 59.58 1woh s THR 155 Cb 0.00 -0.90 -0.21 0.00 -1.51 0.00 0.00 72.50 69.88 1woh s THR 155 CO 0.00 -0.60 0.73 0.29 -2.21 0.00 0.00 174.62 172.83 1woh n LYS 156 N 0.76 0.92 -0.59 7.08 4.76 -1.26 -1.74 118.16 128.08 1woh n LYS 156 Ca -0.19 -0.02 0.09 0.00 -2.87 0.00 0.00 58.31 55.32 1woh n LYS 156 Cb 0.59 -1.37 0.34 0.00 -1.84 0.00 0.00 35.03 32.75 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 -1.53 1.42 -1.00 2.13 5.03 -1.26 -4.78 117.44 117.45 1woh n TRP 157 Ca 0.03 -0.63 -0.29 0.00 3.03 0.00 0.00 57.50 59.63 1woh n TRP 157 Cb 0.31 -0.25 0.23 0.00 -1.03 0.00 0.00 31.31 30.57 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 -0.99 1.23 0.00 -0.99 1.04 -1.26 -4.86 113.70 107.87 1woh s SER 158 Ca 0.49 0.89 0.27 0.00 0.48 0.00 0.00 55.95 58.08 1woh s SER 158 Cb 0.32 -1.32 1.54 0.00 0.10 0.00 0.00 66.02 66.66 1woh s SER 158 CO 0.23 -3.96 1.97 -0.46 0.98 0.00 0.00 173.24 172.00 1woh n ASN 159 N -4.69 0.00 -0.61 7.02 6.94 -1.18 -2.27 115.26 120.48 1woh n ASN 159 Ca 0.10 -0.56 0.13 0.00 -0.02 0.00 0.00 54.58 54.22 1woh n ASN 159 Cb 0.58 -0.11 0.35 0.00 -2.36 0.00 0.00 39.78 38.24 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 -1.11 1.95 0.00 0.53 7.64 -1.26 -4.33 113.62 117.03 1woh n SER 160 Ca 0.18 -1.60 0.00 0.00 1.01 0.00 0.00 58.87 58.46 1woh n SER 160 Cb 0.14 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 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 0.45 1.45 -0.18 6.43 7.64 -0.96 -1.29 113.62 127.16 1woh n SER 161 Ca 0.16 -1.68 -0.01 0.00 1.01 0.00 0.00 58.87 58.36 1woh n SER 161 Cb 0.44 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.73 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 0.25 0.00 1.43 0.13 -1.69 -1.18 132.00 130.95 1woh h PRO 162 Ca 0.00 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 65.01 1woh h PRO 162 Cb 0.55 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 1woh h PRO 162 CO 0.00 0.17 -0.49 0.74 -0.23 0.00 0.00 178.00 178.19 1woh h PHE 163 N 0.26 0.00 -0.36 1.56 -1.00 -1.88 -0.48 116.94 115.04 1woh h PHE 163 Ca 0.29 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.94 1woh h PHE 163 Cb 0.41 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.96 1woh h PHE 163 CO -0.23 0.49 -0.29 -0.09 -1.61 0.00 0.00 178.31 176.57 1woh h ARG 164 N 0.00 0.82 -0.37 1.51 9.65 -1.59 -1.09 114.38 123.31 1woh h ARG 164 Ca -0.00 -0.41 -0.07 0.00 -1.10 0.00 0.00 59.98 58.39 1woh h ARG 164 Cb 1.15 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.73 1woh h ARG 164 CO 0.06 1.05 -0.06 0.00 2.80 0.00 0.00 179.97 183.82 1woh h ARG 165 N 0.61 0.70 -0.66 0.20 2.47 -1.09 -2.81 114.38 113.80 1woh h ARG 165 Ca 0.06 -0.25 -0.04 0.00 -1.26 0.00 0.00 59.98 58.50 1woh h ARG 165 Cb 0.87 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 29.11 1woh h ARG 165 CO 0.08 0.83 0.26 0.00 0.56 0.00 0.00 179.97 181.70 1woh h ALA 166 N 0.84 1.23 -0.20 0.04 0.00 -0.97 -2.66 119.26 117.53 1woh h ALA 166 Ca 0.10 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1woh h ALA 166 Cb 0.55 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1woh h ALA 166 CO 0.03 0.57 -0.54 0.00 0.00 0.00 0.00 179.25 179.31 1woh n GLU 168 N -3.97 0.11 -0.00 0.00 0.28 -1.07 -3.21 120.64 112.79 1woh n GLU 168 Ca -0.03 0.14 0.07 0.00 -0.16 0.00 0.00 57.16 57.18 1woh n GLU 168 Cb 0.60 -1.64 -0.08 0.00 1.43 0.00 0.00 31.44 31.74 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 -1.63 3.57 -3.69 -1.84 0.00 -1.02 -4.86 120.51 111.04 1woh n ALA 169 Ca 0.06 -0.38 -0.30 0.00 0.00 0.00 0.00 53.44 52.82 1woh n ALA 169 Cb 0.35 -0.50 -0.14 0.00 0.00 0.00 0.00 19.45 19.15 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 -2.89 2.17 0.60 0.00 1.43 -0.46 -4.98 118.68 114.55 1woh s LEU 170 Ca 0.03 -1.95 0.39 0.00 -1.03 0.00 0.00 54.13 51.57 1woh s LEU 170 Cb 0.10 -0.84 1.91 0.00 0.03 0.00 0.00 46.19 47.39 1woh s LEU 170 CO 0.57 -0.36 2.17 1.55 0.23 0.00 0.00 176.35 180.51 1woh h PRO 171 N 7.62 0.00 0.00 1.29 0.13 -1.87 -2.03 132.00 137.13 1woh h PRO 171 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1woh h PRO 171 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1woh h PRO 171 CO 0.45 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.49 1woh n ASN 172 N -3.04 0.57 -4.54 1.44 6.94 -1.26 -4.42 115.26 110.96 1woh n ASN 172 Ca -0.01 0.57 -0.42 0.00 -0.02 0.00 0.00 54.58 54.70 1woh n ASN 172 Cb 0.18 -0.72 -0.03 0.00 -2.36 0.00 0.00 39.78 36.85 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 -4.11 3.72 0.20 -4.53 0.20 -0.77 -0.77 118.68 112.62 1woh s LEU 173 Ca 0.10 -1.39 0.18 0.00 0.69 0.00 0.00 54.13 53.72 1woh s LEU 173 Cb 0.13 -2.54 0.01 0.00 -0.43 0.00 0.00 46.19 43.36 1woh s LEU 173 CO 0.53 -1.48 1.14 -0.37 -0.29 0.00 0.00 176.35 175.88 1woh h VAL 174 N 6.52 0.41 -2.39 1.68 -1.51 -1.53 -3.48 116.25 115.96 1woh h VAL 174 Ca 0.11 -1.68 -0.08 0.00 -1.23 0.00 0.00 66.70 63.82 1woh h VAL 174 Cb 1.02 2.00 -0.19 0.00 -2.13 0.00 0.00 31.29 31.99 1woh h VAL 174 CO 1.35 0.23 0.01 -2.28 -1.23 0.00 0.00 177.57 175.66 1woh s HIS 175 N -3.08 -0.48 -0.02 5.19 5.65 -1.20 -4.94 115.29 116.41 1woh s HIS 175 Ca 0.01 0.83 0.02 0.00 0.25 0.00 0.00 55.06 56.16 1woh s HIS 175 Cb 0.08 0.29 0.01 0.00 -1.18 0.00 0.00 32.58 31.78 1woh s HIS 175 CO 0.77 -0.52 -0.05 0.42 -0.65 0.00 0.00 174.74 174.71 1woh s ILE 176 N -1.19 0.48 -0.22 0.89 1.01 -1.26 -1.42 121.20 119.49 1woh s ILE 176 Ca -0.12 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.36 1woh s ILE 176 Cb -0.02 -0.45 0.04 0.00 0.01 0.00 0.00 42.46 42.04 1woh s ILE 176 CO 0.08 0.17 -0.15 -0.89 0.00 0.00 0.00 174.94 174.14 1woh s THR 177 N 0.28 2.10 -0.21 2.92 2.01 -0.25 -0.54 115.64 121.95 1woh s THR 177 Ca -0.03 -1.27 -0.06 0.00 0.31 0.00 0.00 61.69 60.64 1woh s THR 177 Cb -0.07 -2.05 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 1woh s THR 177 CO -0.00 0.26 0.02 -0.89 -0.69 0.00 0.00 174.62 173.32 1woh s THR 178 N 1.20 4.12 -0.04 -0.82 2.01 -0.15 -0.79 115.64 121.18 1woh s THR 178 Ca -0.02 -0.25 0.06 0.00 0.31 0.00 0.00 61.69 61.79 1woh s THR 178 Cb -0.16 -2.87 -0.01 0.00 0.01 0.00 0.00 72.50 69.46 1woh s THR 178 CO -0.09 0.42 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.34 1woh s VAL 179 N 1.02 1.83 0.00 3.82 1.01 0.01 -0.40 120.40 127.69 1woh s VAL 179 Ca 0.02 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1woh s VAL 179 Cb -0.14 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1woh s VAL 179 CO 0.02 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1woh n GLY 180 N 2.79 0.75 3.67 4.51 0.00 -0.47 -1.67 105.19 114.77 1woh n GLY 180 Ca -0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.41 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 3.08 -3.82 0.99 4.77 -1.02 -4.08 117.00 116.91 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 -1.43 0.01 0.00 -2.33 0.00 0.00 43.42 39.67 1woh n LEU 181 CO 0.00 -0.57 0.81 0.00 -1.33 0.00 0.00 177.39 176.30 1woh s ARG 182 N -0.84 1.17 0.00 3.23 1.70 -0.40 -0.51 118.95 123.30 1woh s ARG 182 Ca 0.65 -0.72 0.00 0.00 -0.47 0.00 0.00 55.73 55.19 1woh s ARG 182 Cb -0.64 0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.09 1woh s ARG 182 CO 0.53 -0.55 0.00 0.41 -1.08 0.00 0.00 175.30 174.62 1woh n GLY 183 N -0.61 2.68 0.18 3.88 0.00 -1.26 -4.71 105.19 105.34 1woh n GLY 183 Ca -0.04 -2.11 0.12 0.00 0.00 0.00 0.00 46.02 43.99 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 0.00 -8.33 0.99 3.38 -2.02 -3.46 115.31 105.87 1woh h LEU 184 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 1woh h LEU 184 Cb 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 40.43 1woh h LEU 184 CO 0.00 0.01 -0.86 -0.60 0.09 0.00 0.00 178.44 177.08 1woh s ARG 185 N -3.26 2.33 -0.01 1.13 3.52 -1.26 -5.12 118.95 116.28 1woh s ARG 185 Ca 0.04 -0.77 0.02 0.00 -0.13 0.00 0.00 55.73 54.90 1woh s ARG 185 Cb 0.07 -1.93 -0.01 0.00 -1.56 0.00 0.00 34.95 31.52 1woh s ARG 185 CO 0.72 0.27 -0.08 -0.06 -0.81 0.00 0.00 175.30 175.34 1woh s PHE 186 N 0.06 0.68 -0.43 5.12 0.40 -1.26 -5.05 117.98 117.50 1woh s PHE 186 Ca -0.08 -0.13 -0.29 0.00 -0.60 0.00 0.00 56.93 55.84 1woh s PHE 186 Cb -0.14 -0.44 0.02 0.00 0.51 0.00 0.00 43.02 42.96 1woh s PHE 186 CO 0.04 -0.01 1.34 0.34 0.70 0.00 0.00 175.22 177.62 1woh s ASP 187 N -0.16 6.42 0.33 1.36 -1.08 -1.26 -4.89 116.67 117.39 1woh s ASP 187 Ca 0.03 0.73 0.01 0.00 -0.52 0.00 0.00 52.55 52.79 1woh s ASP 187 Cb -0.03 -2.54 0.55 0.00 -1.46 0.00 0.00 42.92 39.43 1woh s ASP 187 CO -0.00 -1.38 1.97 1.55 0.52 0.00 0.00 175.17 177.83 1woh h PRO 188 N 10.28 0.91 -0.34 4.34 0.13 -1.99 -0.13 132.00 145.19 1woh h PRO 188 Ca -0.26 -0.07 -0.13 0.00 -0.87 0.00 0.00 66.00 64.67 1woh h PRO 188 Cb 1.09 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1woh h PRO 188 CO 1.10 0.63 -0.31 1.49 -0.23 0.00 0.00 178.00 180.67 1woh h GLU 189 N 0.93 0.74 -0.27 0.86 4.22 -1.99 -0.70 114.58 118.37 1woh h GLU 189 Ca 0.24 -0.34 -0.10 0.00 0.08 0.00 0.00 59.36 59.24 1woh h GLU 189 Cb -0.05 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1woh h GLU 189 CO -0.05 0.95 -0.24 0.00 -2.18 0.00 0.00 179.01 177.49 1woh h ALA 190 N 1.03 0.39 -0.17 2.92 0.00 -1.66 -1.04 119.26 120.72 1woh h ALA 190 Ca 0.07 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1woh h ALA 190 Cb 0.83 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1woh h ALA 190 CO 0.07 0.36 0.09 0.28 0.00 0.00 0.00 179.25 180.05 1woh h VAL 191 N 0.36 1.12 -0.76 0.00 2.07 -0.94 -0.03 116.25 118.07 1woh h VAL 191 Ca 0.05 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.26 1woh h VAL 191 Cb 0.80 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 1woh h VAL 191 CO 0.06 0.11 0.49 0.00 0.02 0.00 0.00 177.57 178.25 1woh h ALA 192 N 0.97 0.98 -0.26 1.67 0.00 -1.10 -1.01 119.26 120.50 1woh h ALA 192 Ca 0.06 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1woh h ALA 192 Cb 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1woh h ALA 192 CO -0.01 0.32 -0.27 0.00 0.00 0.00 0.00 179.25 179.29 1woh h ALA 193 N 1.30 1.05 -0.13 0.00 0.00 -0.90 -0.71 119.26 119.87 1woh h ALA 193 Ca 0.29 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1woh h ALA 193 Cb -0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1woh h ALA 193 CO -0.09 0.58 -0.11 0.00 0.00 0.00 0.00 179.25 179.63 1woh h ALA 194 N 1.26 0.19 -0.70 0.00 0.00 -0.50 -2.76 119.26 116.76 1woh h ALA 194 Ca 0.06 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1woh h ALA 194 Cb 0.71 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1woh h ALA 194 CO 0.05 0.04 0.16 0.00 0.00 0.00 0.00 179.25 179.50 1woh h ARG 195 N -0.06 1.13 -0.87 0.00 3.08 -1.13 -1.01 114.38 115.52 1woh h ARG 195 Ca 0.02 -0.28 0.12 0.00 0.07 0.00 0.00 59.98 59.92 1woh h ARG 195 Cb 0.61 -0.15 -0.07 0.00 0.08 0.00 0.00 29.97 30.45 1woh h ARG 195 CO 0.03 1.01 0.56 0.00 -1.07 0.00 0.00 179.97 180.49 1woh h ALA 196 N 1.08 1.77 -0.02 0.04 0.00 -1.10 0.47 119.26 121.50 1woh h ALA 196 Ca 0.22 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1woh h ALA 196 Cb 0.39 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1woh h ALA 196 CO 0.00 0.02 0.00 0.54 0.00 0.00 0.00 179.25 179.82 1woh n ARG 197 N -4.54 1.32 -1.11 0.00 1.74 -0.90 -4.91 116.66 108.26 1woh n ARG 197 Ca 0.16 -0.47 -0.01 0.00 -0.77 0.00 0.00 57.85 56.76 1woh n ARG 197 Cb 0.40 -1.46 -0.00 0.00 -1.02 0.00 0.00 32.46 30.38 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 1.05 0.43 3.79 -0.13 0.00 0.16 -4.94 105.19 105.55 1woh n GLY 198 Ca 0.20 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.03 2.84 -0.24 1.61 3.76 -0.43 -4.83 115.29 115.97 1woh s HIS 199 Ca 0.00 1.53 -0.10 0.00 -0.15 0.00 0.00 55.06 56.34 1woh s HIS 199 Cb 0.00 -3.09 -0.05 0.00 1.11 0.00 0.00 32.58 30.55 1woh s HIS 199 CO 0.00 -1.34 0.15 0.99 -0.85 0.00 0.00 174.74 173.69 1woh s THR 200 N -2.33 5.27 -0.27 1.30 2.01 0.30 -4.61 115.64 117.31 1woh s THR 200 Ca 0.66 0.15 -0.04 0.00 0.31 0.00 0.00 61.69 62.77 1woh s THR 200 Cb -0.18 -3.45 0.02 0.00 0.01 0.00 0.00 72.50 68.89 1woh s THR 200 CO 0.37 0.36 -0.00 -0.63 -0.69 0.00 0.00 174.62 174.02 1woh s ILE 201 N 1.02 3.33 -0.41 1.82 1.01 -1.26 -0.97 121.20 125.73 1woh s ILE 201 Ca 0.07 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.85 1woh s ILE 201 Cb -0.13 -2.71 0.11 0.00 0.01 0.00 0.00 42.46 39.74 1woh s ILE 201 CO 0.04 0.15 0.15 -0.63 0.00 0.00 0.00 174.94 174.65 1woh s ILE 202 N 1.40 2.67 0.73 2.92 1.01 0.47 -4.99 121.20 125.40 1woh s ILE 202 Ca 0.01 -2.53 -0.15 0.00 0.00 0.00 0.00 60.65 57.98 1woh s ILE 202 Cb -0.17 -2.89 0.04 0.00 0.01 0.00 0.00 42.46 39.45 1woh s ILE 202 CO -0.02 -0.68 1.21 -2.84 0.00 0.00 0.00 174.94 172.62 1woh s PRO 203 N 0.64 2.10 0.45 2.79 0.02 -1.26 -1.37 135.00 138.38 1woh s PRO 203 Ca 0.12 1.79 0.16 0.00 0.02 0.00 0.00 61.00 63.08 1woh s PRO 203 Cb -0.21 -1.83 1.09 0.00 0.02 0.00 0.00 34.50 33.57 1woh s PRO 203 CO -0.05 -1.87 1.98 1.98 -0.33 0.00 0.00 177.00 178.71 1woh h MET 204 N -0.30 0.34 -0.83 5.54 1.85 -0.95 -0.39 114.93 120.19 1woh h MET 204 Ca -0.48 -0.02 0.11 0.00 -0.61 0.00 0.00 59.70 58.70 1woh h MET 204 Cb 1.30 -0.08 -0.06 0.00 0.43 0.00 0.00 31.60 33.19 1woh h MET 204 CO 0.49 0.22 0.54 -0.44 -0.40 0.00 0.00 176.91 177.33 1woh h ASP 205 N 0.35 0.68 -0.56 1.39 3.32 -1.90 -1.07 116.42 118.63 1woh h ASP 205 Ca 0.28 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.26 1woh h ASP 205 Cb 0.63 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 1woh h ASP 205 CO -0.07 0.39 0.02 0.44 -1.72 0.00 0.00 179.24 178.30 1woh h ASP 206 N 0.74 0.97 -0.42 6.45 5.19 -1.41 0.18 116.42 128.13 1woh h ASP 206 Ca 0.39 -0.25 -0.06 0.00 -0.62 0.00 0.00 57.03 56.48 1woh h ASP 206 Cb 0.51 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.74 1woh h ASP 206 CO -0.16 1.01 0.02 0.58 -3.12 0.00 0.00 179.24 177.57 1woh h VAL 207 N 0.92 1.26 -0.19 -1.35 2.07 -1.24 0.13 116.25 117.85 1woh h VAL 207 Ca 0.17 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 1woh h VAL 207 Cb 0.51 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1woh h VAL 207 CO 0.02 0.34 -0.02 0.74 0.02 0.00 0.00 177.57 178.67 1woh h THR 208 N 0.57 1.27 -0.50 2.57 2.02 -1.02 -2.71 112.91 115.11 1woh h THR 208 Ca 0.12 -0.93 -0.12 0.00 0.77 0.00 0.00 66.41 66.25 1woh h THR 208 Cb 0.45 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 1woh h THR 208 CO 0.02 0.28 -0.18 0.00 0.37 0.00 0.00 175.52 176.01 1woh h ALA 209 N 0.76 0.74 -0.99 6.16 0.00 -0.58 -3.42 119.26 121.93 1woh h ALA 209 Ca 0.05 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1woh h ALA 209 Cb 0.43 -0.18 -0.19 0.00 0.00 0.00 0.00 17.79 17.85 1woh h ALA 209 CO 0.01 0.67 -0.43 0.34 0.00 0.00 0.00 179.25 179.84 1woh s ASP 210 N -6.70 -1.54 0.17 0.00 2.15 0.45 -5.02 116.67 106.18 1woh s ASP 210 Ca -0.11 -0.60 -0.13 0.00 0.43 0.00 0.00 52.55 52.14 1woh s ASP 210 Cb 0.13 1.96 0.07 0.00 -0.30 0.00 0.00 42.92 44.77 1woh s ASP 210 CO 0.87 -0.19 1.75 0.25 -0.17 0.00 0.00 175.17 177.67 1woh h LEU 211 N 7.15 0.74 -1.34 -1.34 7.12 -1.61 -2.58 115.31 123.45 1woh h LEU 211 Ca 0.04 -0.13 0.09 0.00 0.13 0.00 0.00 57.88 58.00 1woh h LEU 211 Cb 1.18 -0.19 -0.05 0.00 -0.53 0.00 0.00 40.66 41.07 1woh h LEU 211 CO 0.11 0.67 0.52 0.00 -0.13 0.00 0.00 178.44 179.60 1woh h ALA 212 N 1.10 1.73 -0.01 1.25 0.00 -1.92 0.74 119.26 122.15 1woh h ALA 212 Ca 0.19 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1woh h ALA 212 Cb 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1woh h ALA 212 CO -0.02 0.11 -0.47 0.78 0.00 0.00 0.00 179.25 179.65 1woh h GLY 213 N 0.75 0.03 0.63 0.00 0.00 -1.83 -2.49 103.07 100.16 1woh h GLY 213 Ca 0.36 -0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.63 1woh h GLY 213 CO -0.13 0.02 -0.09 -2.08 0.00 0.00 0.00 176.54 174.26 1woh h VAL 214 N 0.02 1.38 0.00 4.60 2.07 -0.63 -3.07 116.25 120.62 1woh h VAL 214 Ca -0.00 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.23 1woh h VAL 214 Cb 0.83 2.05 -0.00 0.00 -1.52 0.00 0.00 31.29 32.65 1woh h VAL 214 CO 0.06 0.36 -0.03 -0.07 0.02 0.00 0.00 177.57 177.91 1woh h LEU 215 N -0.24 0.00 -1.00 2.57 3.38 -1.14 -0.13 115.31 118.76 1woh h LEU 215 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1woh h LEU 215 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1woh h LEU 215 CO 0.02 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.59 1woh h ALA 216 N 1.97 1.00 -0.01 1.53 0.00 -1.35 -2.49 119.26 119.91 1woh h ALA 216 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1woh h ALA 216 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1woh h ALA 216 CO 0.00 0.00 -0.31 1.04 0.00 0.00 0.00 179.25 179.98 1woh n GLN 217 N -2.53 1.21 -2.26 0.00 6.02 -0.06 -4.94 117.38 114.82 1woh n GLN 217 Ca 0.01 -0.89 -0.33 0.00 -0.01 0.00 0.00 57.00 55.79 1woh n GLN 217 Cb 0.25 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 30.02 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 -2.40 3.63 0.73 1.08 1.43 -0.94 -5.01 118.68 117.20 1woh s LEU 218 Ca 0.23 1.82 -0.14 0.00 -1.03 0.00 0.00 54.13 55.01 1woh s LEU 218 Cb 0.19 -4.54 0.04 0.00 0.03 0.00 0.00 46.19 41.91 1woh s LEU 218 CO 0.51 -0.96 1.15 -2.16 0.23 0.00 0.00 176.35 175.12 1woh s PRO 219 N -3.80 2.28 -0.06 1.29 0.04 -1.26 -5.05 135.00 128.45 1woh s PRO 219 Ca 0.64 1.51 0.02 0.00 0.04 0.00 0.00 61.00 63.21 1woh s PRO 219 Cb -0.15 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.53 1woh s PRO 219 CO 0.30 -1.68 -0.09 1.03 0.04 0.00 0.00 177.00 176.61 1woh s ARG 220 N -4.20 1.37 -1.44 4.56 0.52 -1.26 -4.78 118.95 113.72 1woh s ARG 220 Ca 0.69 -0.30 -0.08 0.00 -0.52 0.00 0.00 55.73 55.52 1woh s ARG 220 Cb -0.23 -1.19 0.01 0.00 0.52 0.00 0.00 34.95 34.07 1woh s ARG 220 CO 0.47 -0.01 0.98 0.41 0.02 0.00 0.00 175.30 177.17 1woh n GLY 221 N 3.89 -0.54 3.64 -3.53 0.00 0.36 -4.99 105.19 104.01 1woh n GLY 221 Ca -0.24 0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 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 -6.14 2.00 -0.33 1.61 -1.52 -1.26 -4.90 119.66 109.11 1woh s GLN 222 Ca 0.50 -2.06 -0.22 0.00 -1.95 0.00 0.00 55.36 51.63 1woh s GLN 222 Cb -0.22 -1.70 0.00 0.00 -0.22 0.00 0.00 33.01 30.87 1woh s GLN 222 CO 0.62 -0.05 0.71 -0.80 -0.25 0.00 0.00 175.29 175.52 1woh s ASN 223 N -3.74 6.54 -0.06 5.90 0.01 -1.26 -0.42 114.94 121.91 1woh s ASN 223 Ca 0.36 0.41 0.06 0.00 -0.71 0.00 0.00 52.86 52.97 1woh s ASN 223 Cb 0.09 -2.37 -0.01 0.00 0.41 0.00 0.00 41.25 39.37 1woh s ASN 223 CO 0.19 -0.61 -0.24 -0.69 -1.51 0.00 0.00 177.10 174.24 1woh s VAL 224 N 2.85 2.13 -0.19 1.60 1.01 0.05 -0.59 120.40 127.27 1woh s VAL 224 Ca 0.28 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 1woh s VAL 224 Cb -0.14 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 1woh s VAL 224 CO 0.14 0.57 -0.04 -0.47 0.00 0.00 0.00 175.10 175.30 1woh s TYR 225 N -0.11 2.98 -0.06 5.22 5.04 0.24 -0.73 117.35 129.93 1woh s TYR 225 Ca -0.05 -0.58 -0.17 0.00 -2.44 0.00 0.00 57.07 53.83 1woh s TYR 225 Cb -0.14 -2.03 -0.05 0.00 0.35 0.00 0.00 41.96 40.09 1woh s TYR 225 CO 0.04 -0.28 0.45 -0.06 -1.34 0.00 0.00 175.55 174.37 1woh s PHE 226 N 0.90 3.62 -0.23 4.97 2.99 0.08 -1.79 117.98 128.51 1woh s PHE 226 Ca -0.00 0.95 -0.00 0.00 0.00 0.00 0.00 56.93 57.88 1woh s PHE 226 Cb -0.15 -2.44 0.07 0.00 0.00 0.00 0.00 43.02 40.50 1woh s PHE 226 CO 0.01 0.39 -0.01 0.45 -0.00 0.00 0.00 175.22 176.07 1woh s SER 227 N -0.19 3.63 -0.33 1.36 0.15 -0.81 -0.85 113.70 116.66 1woh s SER 227 Ca 0.25 -1.16 -0.08 0.00 0.70 0.00 0.00 55.95 55.67 1woh s SER 227 Cb -0.16 -0.99 0.02 0.00 -1.71 0.00 0.00 66.02 63.18 1woh s SER 227 CO 0.12 -0.28 0.12 -0.69 1.20 0.00 0.00 173.24 173.71 1woh s VAL 228 N 1.54 4.07 -0.28 4.45 1.01 -0.07 -1.45 120.40 129.66 1woh s VAL 228 Ca -0.02 -0.87 -0.16 0.00 0.00 0.00 0.00 61.98 60.94 1woh s VAL 228 Cb -0.18 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 1woh s VAL 228 CO -0.09 -0.08 0.41 -0.62 0.00 0.00 0.00 175.10 174.72 1woh s ASP 229 N 1.48 6.28 0.65 3.32 -1.08 -0.50 -0.88 116.67 125.95 1woh s ASP 229 Ca 0.01 0.24 0.40 0.00 -0.52 0.00 0.00 52.55 52.69 1woh s ASP 229 Cb -0.18 -2.22 2.20 0.00 -1.46 0.00 0.00 42.92 41.25 1woh s ASP 229 CO 0.04 -0.24 2.24 -0.37 0.52 0.00 0.00 175.17 177.35 1woh h VAL 230 N 5.43 0.00 0.00 1.11 -1.51 -1.65 -0.45 116.25 119.18 1woh h VAL 230 Ca -0.31 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 1woh h VAL 230 Cb 1.15 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 1woh h VAL 230 CO 0.67 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.11 1woh n ASP 231 N -2.99 0.00 0.16 4.19 5.68 -1.26 -1.78 116.55 120.55 1woh n ASP 231 Ca -0.03 -0.67 0.03 0.00 -0.50 0.00 0.00 54.79 53.62 1woh n ASP 231 Cb 0.14 -0.00 0.23 0.00 -1.14 0.00 0.00 41.12 40.35 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 3.40 0.00 -1.74 6.12 0.00 -1.35 -3.37 103.07 106.12 1woh h GLY 232 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 1woh h GLY 232 CO 0.00 0.00 0.36 -1.36 0.00 0.00 0.00 176.54 175.54 1woh s PHE 233 N -3.45 3.49 0.35 5.60 0.40 -0.73 -1.60 117.98 122.03 1woh s PHE 233 Ca 0.01 1.40 -0.29 0.00 -0.60 0.00 0.00 56.93 57.44 1woh s PHE 233 Cb 0.11 -2.75 -0.11 0.00 0.51 0.00 0.00 43.02 40.78 1woh s PHE 233 CO 0.71 -0.40 1.53 0.34 0.70 0.00 0.00 175.22 178.10 1woh s ASP 234 N -3.28 6.35 0.63 1.36 -1.08 0.12 -4.53 116.67 116.24 1woh s ASP 234 Ca 0.57 3.02 0.40 0.00 -0.52 0.00 0.00 52.55 56.02 1woh s ASP 234 Cb -0.10 -2.66 2.14 0.00 -1.46 0.00 0.00 42.92 40.84 1woh s ASP 234 CO 0.35 -0.89 2.29 -0.65 0.52 0.00 0.00 175.17 176.79 1woh h PRO 235 N 3.66 0.00 -0.11 4.34 0.11 -1.78 0.31 132.00 138.54 1woh h PRO 235 Ca -0.49 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.47 1woh h PRO 235 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1woh h PRO 235 CO 0.70 0.01 -0.56 0.00 -0.21 0.00 0.00 178.00 177.93 1woh h ALA 236 N 1.99 0.84 0.00 -0.75 0.00 -1.95 -1.98 119.26 117.42 1woh h ALA 236 Ca -0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1woh h ALA 236 Cb 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1woh h ALA 236 CO 0.00 0.70 -0.00 0.28 0.00 0.00 0.00 179.25 180.23 1woh h VAL 237 N 0.25 1.47 -3.02 0.00 2.07 -1.41 -3.41 116.25 112.19 1woh h VAL 237 Ca 0.00 -2.09 -0.62 0.00 0.82 0.00 0.00 66.70 64.81 1woh h VAL 237 Cb 1.06 2.77 -0.41 0.00 -1.52 0.00 0.00 31.29 33.19 1woh h VAL 237 CO 0.09 0.50 -0.65 -0.63 0.02 0.00 0.00 177.57 176.90 1woh s ILE 238 N -2.13 2.37 -0.20 4.57 -1.09 -0.09 -4.64 121.20 119.98 1woh s ILE 238 Ca -0.16 -3.77 0.28 0.00 -2.23 0.00 0.00 60.65 54.78 1woh s ILE 238 Cb -0.02 -2.58 0.36 0.00 -1.58 0.00 0.00 42.46 38.63 1woh s ILE 238 CO 0.57 -1.00 1.81 1.55 -1.23 0.00 0.00 174.94 176.63 1woh h PRO 239 N 5.71 0.00 -4.77 2.79 0.13 -1.60 -3.40 132.00 130.86 1woh h PRO 239 Ca 0.12 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.64 1woh h PRO 239 Cb 0.81 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 1woh h PRO 239 CO 0.65 0.00 2.26 0.41 -0.23 0.00 0.00 178.00 181.09 1woh n GLY 240 N 0.53 2.74 3.43 1.56 0.00 -1.26 -4.79 105.19 107.41 1woh n GLY 240 Ca 0.02 -1.27 -0.16 0.00 0.00 0.00 0.00 46.02 44.61 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 5.61 0.02 0.13 2.61 -1.32 -1.26 0.21 115.64 121.65 1woh s THR 241 Ca 0.56 -0.14 -0.26 0.00 -1.21 0.00 0.00 61.69 60.64 1woh s THR 241 Cb 0.10 -0.86 -0.03 0.00 -1.51 0.00 0.00 72.50 70.20 1woh s THR 241 CO 0.06 -0.08 1.61 -1.28 -2.21 0.00 0.00 174.62 172.73 1woh h SER 242 N 3.56 -0.99 -3.00 8.08 0.87 -1.78 -3.37 113.55 116.92 1woh h SER 242 Ca -0.28 0.14 -0.61 0.00 -1.23 0.00 0.00 61.79 59.81 1woh h SER 242 Cb 1.15 0.42 -0.41 0.00 -0.44 0.00 0.00 62.40 63.12 1woh h SER 242 CO 0.36 -0.36 -0.69 -0.44 -0.53 0.00 0.00 176.83 175.17 1woh s SER 243 N -4.91 3.87 0.54 6.23 0.01 -1.26 -4.48 113.70 113.69 1woh s SER 243 Ca -0.15 -3.53 -0.20 0.00 1.31 0.00 0.00 55.95 53.37 1woh s SER 243 Cb 0.10 -1.29 -0.05 0.00 0.21 0.00 0.00 66.02 64.99 1woh s SER 243 CO 0.66 -0.13 1.18 -2.16 0.41 0.00 0.00 173.24 173.20 1woh s PRO 244 N -0.90 3.31 -0.07 12.44 0.04 -1.26 -5.01 135.00 143.55 1woh s PRO 244 Ca 0.26 1.76 0.02 0.00 0.04 0.00 0.00 61.00 63.09 1woh s PRO 244 Cb -0.05 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.42 1woh s PRO 244 CO -0.15 -0.92 -0.14 -2.00 0.04 0.00 0.00 177.00 173.83 1woh s GLU 245 N -3.14 1.89 0.94 4.56 2.56 -1.26 -5.07 118.70 119.18 1woh s GLU 245 Ca 0.72 -0.48 -0.11 0.00 0.00 0.00 0.00 54.97 55.11 1woh s GLU 245 Cb -0.28 -1.54 0.16 0.00 2.00 0.00 0.00 34.13 34.47 1woh s GLU 245 CO 0.32 0.04 1.11 -1.25 -0.56 0.00 0.00 175.26 174.92 1woh s PRO 246 N 0.64 0.86 -0.95 4.30 0.04 -1.26 -4.29 135.00 134.34 1woh s PRO 246 Ca -0.15 1.31 -0.08 0.00 0.04 0.00 0.00 61.00 62.13 1woh s PRO 246 Cb -0.16 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 1woh s PRO 246 CO 0.04 -2.66 0.77 -0.25 0.04 0.00 0.00 177.00 174.94 1woh n ASP 247 N -4.23 -6.46 -0.89 6.66 8.00 -1.26 -4.90 116.55 113.46 1woh n ASP 247 Ca 0.09 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 54.98 1woh n ASP 247 Cb 0.53 -4.31 0.00 0.00 -0.02 0.00 0.00 41.12 37.32 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 -1.59 3.16 3.77 0.44 0.00 -1.26 -4.94 105.19 104.77 1woh n GLY 248 Ca -0.08 -2.09 -0.39 0.00 0.00 0.00 0.00 46.02 43.46 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 4.32 0.68 0.99 1.43 -0.63 -4.19 118.68 121.29 1woh s LEU 249 Ca 0.00 2.22 -0.10 0.00 -1.03 0.00 0.00 54.13 55.22 1woh s LEU 249 Cb 0.00 -3.91 0.02 0.00 0.03 0.00 0.00 46.19 42.33 1woh s LEU 249 CO 0.00 -0.40 1.04 0.42 0.23 0.00 0.00 176.35 177.65 1woh s THR 250 N -1.39 3.30 0.18 5.49 -4.23 -1.26 -0.70 115.64 117.02 1woh s THR 250 Ca 0.52 0.25 -0.13 0.00 -1.18 0.00 0.00 61.69 61.14 1woh s THR 250 Cb -0.28 -3.39 0.07 0.00 1.34 0.00 0.00 72.50 70.24 1woh s THR 250 CO 0.36 -0.48 1.77 0.22 -0.54 0.00 0.00 174.62 175.95 1woh h TYR 251 N -0.56 0.37 -0.53 3.99 3.20 -1.97 -1.96 116.97 119.52 1woh h TYR 251 Ca -0.45 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.50 1woh h TYR 251 Cb 1.27 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 39.38 1woh h TYR 251 CO 0.46 0.16 0.23 0.00 -1.64 0.00 0.00 178.16 177.37 1woh h ALA 252 N 1.29 0.67 -0.30 1.82 0.00 -1.98 -0.19 119.26 120.55 1woh h ALA 252 Ca 0.22 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1woh h ALA 252 Cb 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1woh h ALA 252 CO -0.19 -0.15 0.10 1.96 0.00 0.00 0.00 179.25 180.97 1woh h GLN 253 N 0.43 0.47 -0.86 0.00 4.20 -1.83 -0.13 115.11 117.40 1woh h GLN 253 Ca 0.25 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 1woh h GLN 253 Cb 0.23 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 1woh h GLN 253 CO -0.22 0.51 0.43 0.78 -0.67 0.00 0.00 178.83 179.66 1woh h GLY 254 N 0.33 1.32 1.73 3.46 0.00 -1.07 -2.22 103.07 106.62 1woh h GLY 254 Ca 0.10 -0.64 -0.13 0.00 0.00 0.00 0.00 47.33 46.67 1woh h GLY 254 CO -0.00 0.61 -0.48 1.98 0.00 0.00 0.00 176.54 178.64 1woh h MET 255 N 1.22 0.29 -0.73 4.80 1.85 -0.83 -1.72 114.93 119.82 1woh h MET 255 Ca 0.30 -0.16 -0.06 0.00 -0.61 0.00 0.00 59.70 59.17 1woh h MET 255 Cb 0.09 0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.10 1woh h MET 255 CO -0.04 0.72 0.22 0.87 -0.40 0.00 0.00 176.91 178.28 1woh h LYS 256 N 0.24 1.14 0.12 0.39 1.57 -0.57 0.32 116.57 119.78 1woh h LYS 256 Ca 0.01 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 1woh h LYS 256 Cb 0.94 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1woh h LYS 256 CO 0.08 0.97 -0.06 0.82 -0.57 0.00 0.00 179.45 180.70 1woh h ILE 257 N 1.09 1.05 -0.85 1.86 2.04 -1.20 -1.33 117.51 120.17 1woh h ILE 257 Ca 0.24 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.42 1woh h ILE 257 Cb 0.31 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 1woh h ILE 257 CO -0.01 0.16 0.57 -0.07 0.00 0.00 0.00 178.15 178.80 1woh h LEU 258 N -0.48 0.98 -0.41 1.44 3.38 -1.17 -1.78 115.31 117.27 1woh h LEU 258 Ca -0.02 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1woh h LEU 258 Cb 0.39 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1woh h LEU 258 CO 0.03 0.71 0.10 0.00 0.09 0.00 0.00 178.44 179.36 1woh h ALA 259 N 1.47 0.54 -0.27 1.53 0.00 -0.27 0.29 119.26 122.55 1woh h ALA 259 Ca 0.31 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1woh h ALA 259 Cb -0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1woh h ALA 259 CO -0.07 0.22 0.08 0.00 0.00 0.00 0.00 179.25 179.48 1woh h ALA 260 N 0.95 0.36 -0.63 0.00 0.00 -0.91 -2.21 119.26 116.83 1woh h ALA 260 Ca 0.13 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1woh h ALA 260 Cb 0.31 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1woh h ALA 260 CO 0.00 -0.01 0.20 0.00 0.00 0.00 0.00 179.25 179.44 1woh h ALA 261 N 0.91 0.82 -0.90 0.00 0.00 -1.24 -2.69 119.26 116.16 1woh h ALA 261 Ca 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1woh h ALA 261 Cb 0.24 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1woh h ALA 261 CO -0.00 0.49 0.51 0.00 0.00 0.00 0.00 179.25 180.25 1woh h ALA 262 N 1.07 1.21 0.00 0.00 0.00 -0.79 -2.47 119.26 118.28 1woh h ALA 262 Ca 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1woh h ALA 262 Cb 0.29 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1woh h ALA 262 CO -0.01 0.65 -0.06 0.00 0.00 0.00 0.00 179.25 179.83 1woh h ALA 263 N 1.32 0.97 -0.39 0.00 0.00 -1.28 -3.31 119.26 116.57 1woh h ALA 263 Ca 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1woh h ALA 263 Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1woh h ALA 263 CO -0.05 0.08 0.00 0.09 0.00 0.00 0.00 179.25 179.37 1woh n ASN 264 N -3.13 3.08 -3.57 0.00 3.02 -1.03 -4.96 115.26 108.67 1woh n ASN 264 Ca 0.03 -1.93 -0.14 0.00 -0.03 0.00 0.00 54.58 52.51 1woh n ASN 264 Cb 0.50 -0.26 -0.06 0.00 -0.61 0.00 0.00 39.78 39.35 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 -1.06 0.80 -0.53 6.41 0.01 -0.96 0.13 114.94 119.75 1woh s ASN 265 Ca 0.29 -1.45 -0.16 0.00 -0.71 0.00 0.00 52.86 50.83 1woh s ASN 265 Cb 0.16 0.57 0.12 0.00 0.41 0.00 0.00 41.25 42.51 1woh s ASN 265 CO 0.21 -1.13 0.49 -0.89 -1.51 0.00 0.00 177.10 174.27 1woh s THR 266 N -3.50 5.21 -0.26 1.60 2.01 0.44 -4.88 115.64 116.27 1woh s THR 266 Ca 0.33 -1.44 -0.29 0.00 0.31 0.00 0.00 61.69 60.60 1woh s THR 266 Cb 0.02 -4.31 -0.00 0.00 0.01 0.00 0.00 72.50 68.21 1woh s THR 266 CO 0.19 -0.83 1.25 -0.69 -0.69 0.00 0.00 174.62 173.84 1woh s VAL 267 N 1.61 4.26 -2.28 3.82 1.01 -1.26 -0.77 120.40 126.79 1woh s VAL 267 Ca 0.03 1.47 0.24 0.00 0.00 0.00 0.00 61.98 63.72 1woh s VAL 267 Cb -0.29 -4.14 0.15 0.00 0.00 0.00 0.00 36.38 32.09 1woh s VAL 267 CO 0.03 -0.35 1.29 1.33 0.00 0.00 0.00 175.10 177.40 1woh n VAL 268 N 5.85 0.00 0.00 2.92 0.24 0.09 -4.83 118.33 122.60 1woh n VAL 268 Ca 0.14 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 1woh n VAL 268 Cb 0.46 1.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.91 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 1.36 1.10 3.58 7.63 0.00 -1.25 -4.38 105.19 113.23 1woh n GLY 269 Ca 0.12 -1.14 -0.15 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.69 0.11 0.99 0.20 -0.95 -0.74 118.68 117.59 1woh s LEU 270 Ca 0.00 1.11 0.07 0.00 0.69 0.00 0.00 54.13 56.00 1woh s LEU 270 Cb 0.00 2.46 -0.04 0.00 -0.43 0.00 0.00 46.19 48.19 1woh s LEU 270 CO 0.00 -0.40 -0.18 1.51 -0.29 0.00 0.00 176.35 176.99 1woh s ASP 271 N -0.30 2.35 -0.23 3.68 1.47 -0.03 -0.61 116.67 123.01 1woh s ASP 271 Ca -0.04 -0.72 -0.00 0.00 1.18 0.00 0.00 52.55 52.96 1woh s ASP 271 Cb -0.03 -0.12 0.06 0.00 -0.34 0.00 0.00 42.92 42.49 1woh s ASP 271 CO 0.04 -0.01 -0.03 -0.22 0.68 0.00 0.00 175.17 175.64 1woh s LEU 272 N -2.08 2.23 0.36 2.11 1.98 0.02 -0.89 118.68 122.41 1woh s LEU 272 Ca 0.07 -1.10 0.05 0.00 -2.89 0.00 0.00 54.13 50.26 1woh s LEU 272 Cb -0.09 -1.03 -0.07 0.00 0.66 0.00 0.00 46.19 45.66 1woh s LEU 272 CO 0.04 -0.26 0.04 0.68 -1.89 0.00 0.00 176.35 174.96 1woh s VAL 273 N 1.51 1.51 0.00 1.68 -7.23 -0.06 -1.14 120.40 116.67 1woh s VAL 273 Ca -0.04 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.13 1woh s VAL 273 Cb -0.18 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 33.89 1woh s VAL 273 CO -0.07 0.00 0.00 -0.62 -0.31 0.00 0.00 175.10 174.10 1woh n GLU 274 N -0.81 -0.73 -2.32 4.82 -0.58 -0.35 -1.76 120.64 118.91 1woh n GLU 274 Ca -0.04 0.18 -0.41 0.00 -0.42 0.00 0.00 57.16 56.47 1woh n GLU 274 Cb 0.67 -3.78 -0.03 0.00 -0.57 0.00 0.00 31.44 27.72 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 0.00 4.42 -0.44 -4.62 1.98 -1.26 -4.15 118.68 114.61 1woh s LEU 275 Ca 0.00 2.25 0.02 0.00 -2.89 0.00 0.00 54.13 53.51 1woh s LEU 275 Cb 0.00 -3.60 0.13 0.00 0.66 0.00 0.00 46.19 43.38 1woh s LEU 275 CO 0.00 -0.46 0.23 0.00 -1.89 0.00 0.00 176.35 174.23 1woh s ALA 276 N 0.30 2.28 0.35 5.97 0.00 0.13 -3.81 121.76 126.97 1woh s ALA 276 Ca 0.56 -2.62 0.08 0.00 0.00 0.00 0.00 51.96 49.98 1woh s ALA 276 Cb -0.33 -1.91 0.79 0.00 0.00 0.00 0.00 23.12 21.67 1woh s ALA 276 CO 0.35 -2.02 1.86 -1.35 0.00 0.00 0.00 175.76 174.60 1woh h PRO 277 N 6.82 0.70 0.00 0.00 0.11 -1.80 -1.11 132.00 136.72 1woh h PRO 277 Ca -0.03 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1woh h PRO 277 Cb 0.93 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1woh h PRO 277 CO 0.51 0.46 0.00 -2.95 -0.21 0.00 0.00 178.00 175.81 1woh h ASN 278 N 0.72 0.00 -0.11 -2.05 -1.07 -1.94 -2.40 115.58 108.73 1woh h ASN 278 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.83 1woh h ASN 278 Cb 0.70 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.95 1woh h ASN 278 CO -0.22 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.46 1woh n LEU 279 N -2.81 2.49 -3.53 6.14 4.77 -0.42 -4.63 117.00 119.01 1woh n LEU 279 Ca -0.01 -0.91 -0.29 0.00 -0.03 0.00 0.00 56.01 54.77 1woh n LEU 279 Cb 0.16 -0.06 -0.12 0.00 -2.33 0.00 0.00 43.42 41.07 1woh n LEU 279 CO 0.20 0.46 -0.29 -0.62 -1.33 0.00 0.00 177.39 175.81 1woh s ASP 280 N -1.84 2.93 0.00 -1.43 3.68 -0.90 -4.42 116.67 114.69 1woh s ASP 280 Ca 0.33 -2.54 0.10 0.00 2.13 0.00 0.00 52.55 52.57 1woh s ASP 280 Cb 0.20 -0.62 0.46 0.00 -1.45 0.00 0.00 42.92 41.51 1woh s ASP 280 CO 0.31 -0.26 1.23 -0.81 0.13 0.00 0.00 175.17 175.76 1woh n PRO 281 N 3.60 0.10 0.07 4.34 -0.04 -1.26 -1.46 135.00 140.35 1woh n PRO 281 Ca 0.15 0.24 0.12 0.00 -0.04 0.00 0.00 63.50 63.97 1woh n PRO 281 Cb 0.38 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.62 1woh n PRO 281 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1woh n THR 282 N -1.35 0.40 -0.88 0.52 -2.24 -1.26 -4.94 114.28 104.54 1woh n THR 282 Ca 0.04 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1woh n THR 282 Cb 0.09 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 1woh n THR 282 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1woh n GLY 283 N 1.34 0.29 0.18 3.38 0.00 -0.53 -4.86 105.19 105.00 1woh n GLY 283 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 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 0.76 0.00 0.13 1.61 0.11 -1.92 -2.97 114.38 112.10 1woh h ARG 284 Ca 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 1woh h ARG 284 Cb 0.34 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.42 1woh h ARG 284 CO 0.00 0.40 -0.07 0.77 0.10 0.00 0.00 179.97 181.17 1woh h SER 285 N 0.00 -0.17 -0.38 0.08 0.02 -1.88 -0.64 113.55 110.57 1woh h SER 285 Ca -0.00 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1woh h SER 285 Cb 0.92 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 1woh h SER 285 CO 0.05 -0.12 -0.17 1.05 -1.14 0.00 0.00 176.83 176.50 1woh h GLU 286 N -0.19 0.78 -0.35 3.45 9.09 -1.93 -2.07 114.58 123.36 1woh h GLU 286 Ca -0.01 -0.34 0.04 0.00 0.05 0.00 0.00 59.36 59.10 1woh h GLU 286 Cb 0.15 -0.03 -0.04 0.00 -1.65 0.00 0.00 28.75 27.19 1woh h GLU 286 CO 0.02 0.96 0.12 -0.07 0.05 0.00 0.00 179.01 180.09 1woh h LEU 287 N 0.58 0.13 -0.42 3.06 3.38 -1.39 0.94 115.31 121.58 1woh h LEU 287 Ca 0.09 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 1woh h LEU 287 Cb 0.72 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1woh h LEU 287 CO 0.05 0.11 -0.28 -0.07 0.09 0.00 0.00 178.44 178.34 1woh h LEU 288 N 0.27 0.97 -0.74 1.67 4.07 -1.11 -2.25 115.31 118.20 1woh h LEU 288 Ca 0.16 -0.43 -0.12 0.00 0.08 0.00 0.00 57.88 57.57 1woh h LEU 288 Cb 0.14 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 1woh h LEU 288 CO -0.17 1.20 -0.57 0.24 -1.08 0.00 0.00 178.44 178.06 1woh h MET 289 N 0.76 0.00 -0.38 1.13 2.86 -1.18 0.11 114.93 118.23 1woh h MET 289 Ca 0.08 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.61 1woh h MET 289 Cb 0.87 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 1woh h MET 289 CO 0.08 0.57 -0.22 0.00 1.06 0.00 0.00 176.91 178.40 1woh h ALA 290 N 1.43 0.54 -0.62 6.32 0.00 -0.77 -2.36 119.26 123.81 1woh h ALA 290 Ca -0.01 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1woh h ALA 290 Cb 1.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1woh h ALA 290 CO 0.07 0.52 0.06 -0.09 0.00 0.00 0.00 179.25 179.81 1woh h ARG 291 N 0.63 1.04 -0.47 0.00 2.43 -1.06 -2.66 114.38 114.29 1woh h ARG 291 Ca 0.08 -0.29 0.06 0.00 -0.81 0.00 0.00 59.98 59.02 1woh h ARG 291 Cb 0.78 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.16 1woh h ARG 291 CO 0.06 0.98 0.17 1.25 -1.51 0.00 0.00 179.97 180.93 1woh h LEU 292 N 0.97 0.18 -0.64 3.80 5.85 -0.51 0.23 115.31 125.19 1woh h LEU 292 Ca 0.18 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 1woh h LEU 292 Cb 0.48 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1woh h LEU 292 CO 0.02 0.13 0.36 0.58 -0.34 0.00 0.00 178.44 179.20 1woh h VAL 293 N 0.35 1.20 -0.43 1.05 2.07 -1.23 -0.21 116.25 119.04 1woh h VAL 293 Ca 0.22 -0.47 -0.13 0.00 0.82 0.00 0.00 66.70 67.14 1woh h VAL 293 Cb 0.22 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1woh h VAL 293 CO -0.23 0.21 -0.24 0.24 0.02 0.00 0.00 177.57 177.58 1woh h MET 294 N 0.87 0.92 -0.42 1.57 2.86 -1.05 -1.65 114.93 118.04 1woh h MET 294 Ca 0.23 -0.42 -0.09 0.00 -2.06 0.00 0.00 59.70 57.35 1woh h MET 294 Cb 0.02 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1woh h MET 294 CO -0.04 1.08 -0.13 1.49 1.06 0.00 0.00 176.91 180.37 1woh h GLU 295 N 0.76 0.76 -0.64 1.72 4.81 -0.36 -0.53 114.58 121.10 1woh h GLU 295 Ca 0.09 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 59.03 1woh h GLU 295 Cb 0.82 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.11 1woh h GLU 295 CO 0.07 0.85 0.26 1.15 -0.73 0.00 0.00 179.01 180.61 1woh h THR 296 N 0.69 1.23 -0.50 0.32 2.02 -0.86 -1.37 112.91 114.44 1woh h THR 296 Ca 0.11 -0.72 -0.03 0.00 0.77 0.00 0.00 66.41 66.54 1woh h THR 296 Cb 0.60 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1woh h THR 296 CO 0.04 0.29 0.18 -0.07 0.37 0.00 0.00 175.52 176.33 1woh h LEU 297 N 0.90 0.67 -0.63 2.58 3.38 -0.83 0.94 115.31 122.31 1woh h LEU 297 Ca 0.21 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1woh h LEU 297 Cb 0.20 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1woh h LEU 297 CO -0.02 0.62 0.37 0.00 0.09 0.00 0.00 178.44 179.50 1woh h GLU 299 N 0.86 0.68 0.29 0.00 4.39 -0.20 -2.20 114.58 118.40 1woh h GLU 299 Ca 0.22 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1woh h GLU 299 Cb -0.00 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1woh h GLU 299 CO -0.04 0.73 -0.15 0.28 -1.16 0.00 0.00 179.01 178.67 1woh h VAL 300 N 0.53 0.69 0.00 3.13 2.07 -0.56 -2.86 116.25 119.24 1woh h VAL 300 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1woh h VAL 300 Cb 0.38 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1woh h VAL 300 CO 0.01 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.09 1woh n PHE 301 N -5.27 0.00 0.90 1.57 3.01 -0.64 -2.90 117.46 114.12 1woh n PHE 301 Ca -0.10 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.48 1woh n PHE 301 Cb 0.19 -0.10 0.24 0.00 -0.01 0.00 0.00 39.48 39.81 1woh n PHE 301 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1woh n ASP 302 N -1.10 0.52 -2.56 4.37 4.64 -0.83 -4.08 116.55 117.52 1woh n ASP 302 Ca 0.20 -0.14 -0.11 0.00 -1.38 0.00 0.00 54.79 53.35 1woh n ASP 302 Cb 0.15 0.22 0.03 0.00 -1.04 0.00 0.00 41.12 40.48 1woh n ASP 302 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 1woh n HIS 303 N -1.64 1.87 -2.78 -0.67 8.25 -1.14 -5.08 115.22 114.03 1woh n HIS 303 Ca 0.05 -2.42 -0.40 0.00 -0.26 0.00 0.00 57.72 54.69 1woh n HIS 303 Cb 0.36 -0.27 -0.05 0.00 1.12 0.00 0.00 29.99 31.15 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 -4.07 4.32 -2.56 1.59 1.01 -1.25 -4.95 120.40 114.49 1woh s VAL 304 Ca 0.35 2.02 0.28 0.00 0.00 0.00 0.00 61.98 64.63 1woh s VAL 304 Cb 0.38 -4.30 0.51 0.00 0.00 0.00 0.00 36.38 32.97 1woh s VAL 304 CO -0.02 0.42 1.69 0.18 0.00 0.00 0.00 175.10 177.37