#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1woi s PRO 4 N 0.00 4.30 0.08 1.61 0.04 -1.26 -5.06 135.00 134.71 1woi s PRO 4 Ca 0.00 1.38 0.05 0.00 0.04 0.00 0.00 61.00 62.48 1woi s PRO 4 Cb 0.00 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.95 1woi s PRO 4 CO 0.00 0.01 -0.05 0.00 0.04 0.00 0.00 177.00 177.00 1woi s ALA 5 N -1.74 3.11 0.60 8.56 0.00 -1.26 -5.11 121.76 125.92 1woi s ALA 5 Ca 0.56 -1.15 -0.18 0.00 0.00 0.00 0.00 51.96 51.19 1woi s ALA 5 Cb -0.19 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 1woi s ALA 5 CO 0.24 0.66 1.18 -1.01 0.00 0.00 0.00 175.76 176.83 1woi s HIS 6 N -1.22 2.44 0.63 0.00 3.76 -1.26 -5.03 115.29 114.61 1woi s HIS 6 Ca 0.22 1.53 -0.07 0.00 -0.15 0.00 0.00 55.06 56.60 1woi s HIS 6 Cb -0.11 -3.41 0.02 0.00 1.11 0.00 0.00 32.58 30.19 1woi s HIS 6 CO 0.14 -2.06 0.95 -0.51 -0.85 0.00 0.00 174.74 172.41 1woi s LEU 7 N -4.17 3.11 0.46 0.89 2.01 -1.26 -4.92 118.68 114.80 1woi s LEU 7 Ca 0.75 0.72 0.25 0.00 0.01 0.00 0.00 54.13 55.86 1woi s LEU 7 Cb -0.28 -3.51 1.27 0.00 0.01 0.00 0.00 46.19 43.69 1woi s LEU 7 CO 0.33 -1.20 1.81 -0.65 1.01 0.00 0.00 176.35 177.66 1woi h PRO 8 N -0.31 0.23 -0.00 1.29 0.11 -1.96 0.02 132.00 131.36 1woi h PRO 8 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1woi h PRO 8 Cb 1.27 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1woi h PRO 8 CO 0.61 0.15 -0.13 2.48 -0.21 0.00 0.00 178.00 180.89 1woi n TYR 9 N -4.44 0.00 -4.05 0.65 4.11 -1.26 -4.89 117.16 107.28 1woi n TYR 9 Ca 0.23 0.00 -0.28 0.00 -0.00 0.00 0.00 57.90 57.86 1woi n TYR 9 Cb 0.95 -0.17 -0.05 0.00 -0.00 0.00 0.00 39.34 40.07 1woi n TYR 9 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1woi s GLY 10 N -2.47 1.82 0.00 -7.48 0.00 -0.01 -5.04 107.32 94.15 1woi s GLY 10 Ca 0.28 -1.12 0.00 0.00 0.00 0.00 0.00 44.72 43.89 1woi s GLY 10 CO 0.48 -1.12 0.00 0.61 0.00 0.00 0.00 173.10 173.07 1woi n GLY 11 N -0.12 -0.61 3.71 0.20 0.00 -1.26 -4.65 105.19 102.46 1woi n GLY 11 Ca -0.08 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 1woi n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1woi s ILE 12 N -2.35 3.99 -0.67 -0.61 -1.09 -1.26 -4.96 121.20 114.25 1woi s ILE 12 Ca 0.00 1.43 -0.27 0.00 -2.23 0.00 0.00 60.65 59.58 1woi s ILE 12 Cb 0.00 -3.92 0.02 0.00 -1.58 0.00 0.00 42.46 36.98 1woi s ILE 12 CO 0.00 0.11 1.35 -2.16 -1.23 0.00 0.00 174.94 173.01 1woi s PRO 13 N 1.04 3.20 0.10 2.79 0.04 -1.26 -4.94 135.00 135.97 1woi s PRO 13 Ca 0.59 0.04 0.10 0.00 0.04 0.00 0.00 61.00 61.77 1woi s PRO 13 Cb -0.30 -4.17 -0.04 0.00 0.04 0.00 0.00 34.50 30.04 1woi s PRO 13 CO 0.29 -2.10 -0.26 0.95 0.04 0.00 0.00 177.00 175.92 1woi s THR 14 N 6.01 2.26 0.01 1.26 -4.23 -1.26 -4.74 115.64 114.94 1woi s THR 14 Ca 0.42 -1.60 -0.35 0.00 -1.18 0.00 0.00 61.69 58.98 1woi s THR 14 Cb -0.09 -1.96 -0.13 0.00 1.34 0.00 0.00 72.50 71.66 1woi s THR 14 CO 0.19 0.19 1.72 0.33 -0.54 0.00 0.00 174.62 176.51 1woi n PHE 15 N 1.23 2.23 -1.39 3.99 7.35 -1.26 -0.13 117.46 129.47 1woi n PHE 15 Ca -0.17 0.18 -0.13 0.00 -0.76 0.00 0.00 57.45 56.56 1woi n PHE 15 Cb 0.53 -2.58 -0.06 0.00 0.35 0.00 0.00 39.48 37.72 1woi n PHE 15 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1woi n ALA 16 N 5.04 -0.20 -2.68 3.13 0.00 -1.26 -1.57 120.51 122.97 1woi n ALA 16 Ca 0.20 0.22 -0.20 0.00 0.00 0.00 0.00 53.44 53.66 1woi n ALA 16 Cb 0.27 -1.79 0.01 0.00 0.00 0.00 0.00 19.45 17.94 1woi n ALA 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1woi n ARG 17 N -1.42 -2.95 -1.99 0.00 0.63 0.81 -4.65 116.66 107.09 1woi n ARG 17 Ca -0.13 0.89 -0.30 0.00 -0.92 0.00 0.00 57.85 57.38 1woi n ARG 17 Cb 0.59 -5.62 0.01 0.00 0.45 0.00 0.00 32.46 27.90 1woi n ARG 17 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1woi s ALA 18 N -3.02 3.13 0.58 5.13 0.00 -0.61 -4.97 121.76 122.00 1woi s ALA 18 Ca 0.13 -0.19 -0.20 0.00 0.00 0.00 0.00 51.96 51.71 1woi s ALA 18 Cb -0.06 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 1woi s ALA 18 CO 0.16 -0.69 1.25 -1.25 0.00 0.00 0.00 175.76 175.23 1woi s PRO 19 N -5.13 3.03 0.12 0.00 0.04 -1.26 -4.60 135.00 127.19 1woi s PRO 19 Ca 0.54 1.94 -0.22 0.00 0.04 0.00 0.00 61.00 63.30 1woi s PRO 19 Cb -0.11 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.33 1woi s PRO 19 CO 0.52 -1.19 0.67 -1.17 0.04 0.00 0.00 177.00 175.87 1woi s LEU 20 N -3.89 4.56 0.23 -3.56 2.96 -1.26 -1.26 118.68 116.45 1woi s LEU 20 Ca 0.76 1.45 -0.07 0.00 -0.22 0.00 0.00 54.13 56.04 1woi s LEU 20 Cb -0.33 -3.09 -0.02 0.00 0.50 0.00 0.00 46.19 43.25 1woi s LEU 20 CO 0.37 0.24 0.33 0.68 -1.32 0.00 0.00 176.35 176.66 1woi s VAL 21 N -1.13 0.00 -0.06 1.68 -7.23 0.16 -4.90 120.40 108.92 1woi s VAL 21 Ca 0.32 -1.66 -0.08 0.00 -1.81 0.00 0.00 61.98 58.75 1woi s VAL 21 Cb -0.21 -2.34 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 1woi s VAL 21 CO 0.22 0.00 0.22 -1.10 -0.31 0.00 0.00 175.10 174.14 1woi s GLN 22 N -4.04 3.56 0.23 4.82 -1.52 -1.26 -3.97 119.66 117.48 1woi s GLN 22 Ca 0.30 -0.03 -0.12 0.00 -1.95 0.00 0.00 55.36 53.55 1woi s GLN 22 Cb 0.03 -3.16 0.30 0.00 -0.22 0.00 0.00 33.01 29.95 1woi s GLN 22 CO 0.11 0.72 1.60 -1.35 -0.25 0.00 0.00 175.29 176.12 1woi h PRO 23 N 4.60 -0.01 -0.89 2.91 0.11 -1.95 0.54 132.00 137.30 1woi h PRO 23 Ca -0.53 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.17 1woi h PRO 23 Cb 1.22 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.08 1woi h PRO 23 CO 0.61 -0.01 0.51 -0.40 -0.21 0.00 0.00 178.00 178.51 1woi n ASP 24 N -5.50 4.05 -3.82 -2.05 5.75 -1.26 -4.15 116.55 109.57 1woi n ASP 24 Ca 0.10 -3.50 -0.22 0.00 -0.01 0.00 0.00 54.79 51.16 1woi n ASP 24 Cb 0.39 -0.80 0.14 0.00 -1.03 0.00 0.00 41.12 39.81 1woi n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1woi n GLY 25 N -0.84 -0.55 3.38 6.12 0.00 0.18 -5.01 105.19 108.47 1woi n GLY 25 Ca 0.53 -1.84 -0.45 0.00 0.00 0.00 0.00 46.02 44.26 1woi n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1woi s ASP 26 N -4.78 6.47 0.12 1.61 2.15 -1.26 -4.97 116.67 116.01 1woi s ASP 26 Ca 0.60 -1.95 -0.25 0.00 0.43 0.00 0.00 52.55 51.37 1woi s ASP 26 Cb -0.02 -2.31 0.07 0.00 -0.30 0.00 0.00 42.92 40.36 1woi s ASP 26 CO 0.41 -0.96 0.78 -1.66 -0.17 0.00 0.00 175.17 173.58 1woi s TRP 27 N 2.01 -0.35 -0.00 -5.34 1.48 -1.26 -5.09 118.94 110.39 1woi s TRP 27 Ca 0.20 0.11 -0.05 0.00 -1.06 0.00 0.00 56.10 55.30 1woi s TRP 27 Cb -0.15 0.59 -0.00 0.00 -1.16 0.00 0.00 33.47 32.75 1woi s TRP 27 CO -0.03 -0.80 0.09 -0.65 -4.06 0.00 0.00 176.95 171.51 1woi s GLN 28 N -3.47 0.38 -0.12 3.25 -0.21 -1.26 -4.80 119.66 113.43 1woi s GLN 28 Ca 0.06 -0.36 -0.30 0.00 0.02 0.00 0.00 55.36 54.78 1woi s GLN 28 Cb -0.02 0.16 0.12 0.00 1.00 0.00 0.00 33.01 34.27 1woi s GLN 28 CO -0.06 -0.08 0.96 0.00 -2.12 0.00 0.00 175.29 173.99 1woi s ALA 29 N -1.16 -1.90 0.06 6.09 0.00 -0.92 -5.00 121.76 118.93 1woi s ALA 29 Ca -0.13 1.45 -0.25 0.00 0.00 0.00 0.00 51.96 53.04 1woi s ALA 29 Cb -0.07 -0.42 -0.17 0.00 0.00 0.00 0.00 23.12 22.47 1woi s ALA 29 CO 0.01 -0.40 1.60 -0.44 0.00 0.00 0.00 175.76 176.53 1woi h ASP 30 N 2.45 -0.13 -3.73 0.00 3.32 -1.74 -2.93 116.42 113.66 1woi h ASP 30 Ca -0.19 -0.09 -0.68 0.00 0.02 0.00 0.00 57.03 56.08 1woi h ASP 30 Cb 1.18 0.03 -0.31 0.00 0.22 0.00 0.00 39.33 40.45 1woi h ASP 30 CO 0.31 0.01 -0.87 -0.69 -1.72 0.00 0.00 179.24 176.28 1woi s VAL 31 N -5.73 2.16 -0.05 -1.35 1.01 0.02 -0.86 120.40 115.60 1woi s VAL 31 Ca -0.14 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 60.84 1woi s VAL 31 Cb 0.05 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.64 1woi s VAL 31 CO 0.65 0.56 -0.08 0.00 0.00 0.00 0.00 175.10 176.23 1woi s ALA 32 N 0.03 0.92 -0.06 5.51 0.00 -1.07 -1.03 121.76 126.06 1woi s ALA 32 Ca -0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 51.96 51.62 1woi s ALA 32 Cb -0.15 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 1woi s ALA 32 CO 0.06 0.05 0.16 0.00 0.00 0.00 0.00 175.76 176.02 1woi s ALA 33 N 0.79 3.90 -0.07 0.00 0.00 0.16 0.02 121.76 126.55 1woi s ALA 33 Ca -0.13 -0.72 -0.03 0.00 0.00 0.00 0.00 51.96 51.08 1woi s ALA 33 Cb -0.15 -1.90 0.04 0.00 0.00 0.00 0.00 23.12 21.11 1woi s ALA 33 CO 0.02 0.69 0.14 -1.17 0.00 0.00 0.00 175.76 175.44 1woi s LEU 34 N -1.55 0.12 0.24 0.00 2.96 0.17 -0.75 118.68 119.87 1woi s LEU 34 Ca 0.22 0.28 -0.06 0.00 -0.22 0.00 0.00 54.13 54.35 1woi s LEU 34 Cb -0.12 0.21 -0.06 0.00 0.50 0.00 0.00 46.19 46.72 1woi s LEU 34 CO 0.12 -0.23 0.50 -0.83 -1.32 0.00 0.00 176.35 174.60 1woi s GLY 35 N 2.06 2.04 -0.41 7.98 0.00 -0.25 -1.14 107.32 117.60 1woi s GLY 35 Ca 0.01 -0.51 0.03 0.00 0.00 0.00 0.00 44.72 44.25 1woi s GLY 35 CO -0.05 -0.41 0.30 0.14 0.00 0.00 0.00 173.10 173.08 1woi s VAL 36 N -1.91 0.52 -1.05 1.40 1.01 0.67 -1.52 120.40 119.53 1woi s VAL 36 Ca 0.44 -2.46 -0.11 0.00 0.00 0.00 0.00 61.98 59.84 1woi s VAL 36 Cb -0.11 -1.37 -0.07 0.00 0.00 0.00 0.00 36.38 34.82 1woi s VAL 36 CO 0.26 -1.12 2.21 -0.81 0.00 0.00 0.00 175.10 175.64 1woi n PRO 37 N 3.20 2.28 -4.08 2.72 -0.04 -1.26 -3.02 135.00 134.80 1woi n PRO 37 Ca 0.22 -1.79 -0.33 0.00 -0.04 0.00 0.00 63.50 61.56 1woi n PRO 37 Cb 0.43 -2.71 -0.16 0.00 -0.04 0.00 0.00 33.50 31.02 1woi n PRO 37 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1woi s PHE 38 N 3.59 2.85 -0.00 0.54 5.36 -1.26 -4.70 117.98 124.36 1woi s PHE 38 Ca 0.49 -1.60 0.00 0.00 -0.96 0.00 0.00 56.93 54.87 1woi s PHE 38 Cb 0.13 -1.95 0.00 0.00 -0.34 0.00 0.00 43.02 40.86 1woi s PHE 38 CO -0.01 -0.78 0.82 -0.40 -1.46 0.00 0.00 175.22 173.40 1woi n ASP 39 N 4.63 0.04 -0.13 6.13 5.68 -1.26 0.18 116.55 131.83 1woi n ASP 39 Ca -0.20 -1.65 0.07 0.00 -0.50 0.00 0.00 54.79 52.51 1woi n ASP 39 Cb 0.49 -0.13 0.34 0.00 -1.14 0.00 0.00 41.12 40.69 1woi n ASP 39 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1woi n ILE 40 N -0.02 0.07 0.56 2.12 -5.35 -1.26 -3.45 119.36 112.03 1woi n ILE 40 Ca 0.00 -0.09 0.10 0.00 -0.27 0.00 0.00 62.75 62.49 1woi n ILE 40 Cb 0.62 -0.07 -0.14 0.00 -1.74 0.00 0.00 39.64 38.31 1woi n ILE 40 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1woi n ALA 41 N -0.44 3.89 -1.59 -1.28 0.00 -1.26 -4.97 120.51 114.85 1woi n ALA 41 Ca 0.10 -0.55 -0.32 0.00 0.00 0.00 0.00 53.44 52.67 1woi n ALA 41 Cb 0.10 -0.74 0.03 0.00 0.00 0.00 0.00 19.45 18.85 1woi n ALA 41 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1woi s LEU 42 N -3.59 3.37 -0.03 0.00 0.05 -1.22 -3.09 118.68 114.17 1woi s LEU 42 Ca 0.01 1.80 0.21 0.00 0.05 0.00 0.00 54.13 56.19 1woi s LEU 42 Cb 0.15 -4.53 0.63 0.00 -2.05 0.00 0.00 46.19 40.39 1woi s LEU 42 CO 0.86 -1.35 1.53 0.61 -0.55 0.00 0.00 176.35 177.45 1woi n GLY 43 N -1.17 2.60 0.00 -3.48 0.00 -1.26 -4.92 105.19 96.96 1woi n GLY 43 Ca 0.09 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1woi n GLY 43 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1woi n PHE 44 N 1.42 0.00 -3.56 1.61 -0.00 -1.26 -5.10 117.46 110.57 1woi n PHE 44 Ca 0.24 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.29 1woi n PHE 44 Cb 0.67 0.00 -0.11 0.00 -0.00 0.00 0.00 39.48 40.04 1woi n PHE 44 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1woi s ARG 45 N 0.75 3.63 0.92 -4.13 0.52 -1.26 -5.08 118.95 114.30 1woi s ARG 45 Ca 0.00 -0.54 -0.11 0.00 -0.52 0.00 0.00 55.73 54.55 1woi s ARG 45 Cb 0.00 -3.74 0.15 0.00 0.52 0.00 0.00 34.95 31.88 1woi s ARG 45 CO 0.00 -0.36 1.09 -2.14 0.02 0.00 0.00 175.30 173.91 1woi s PRO 46 N 1.73 1.01 0.00 3.54 0.02 -1.26 -4.47 135.00 135.57 1woi s PRO 46 Ca 0.06 0.89 0.00 0.00 0.02 0.00 0.00 61.00 61.98 1woi s PRO 46 Cb -0.17 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.58 1woi s PRO 46 CO 0.10 -2.43 0.00 0.41 -0.33 0.00 0.00 177.00 174.75 1woi n GLY 47 N -0.81 1.12 0.24 0.52 0.00 -1.26 -4.95 105.19 100.05 1woi n GLY 47 Ca 0.07 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.25 1woi n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1woi h ALA 48 N 0.00 1.02 0.00 4.61 0.00 -1.85 -0.86 119.26 122.17 1woi h ALA 48 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1woi h ALA 48 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1woi h ALA 48 CO 0.00 -0.02 -0.08 0.07 0.00 0.00 0.00 179.25 179.22 1woi h ARG 49 N 0.00 0.00 -0.01 0.00 0.11 -1.84 -0.33 114.38 112.32 1woi h ARG 49 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1woi h ARG 49 Cb 0.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.12 1woi h ARG 49 CO 0.00 0.08 -0.32 1.19 0.10 0.00 0.00 179.97 181.02 1woi n PHE 50 N -3.43 0.00 -0.15 4.08 3.72 -0.33 -4.42 117.46 116.93 1woi n PHE 50 Ca -0.01 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.31 1woi n PHE 50 Cb 0.23 -0.09 0.01 0.00 -0.94 0.00 0.00 39.48 38.68 1woi n PHE 50 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1woi h ALA 51 N 3.72 0.58 -0.53 4.37 0.00 -1.39 -1.81 119.26 124.20 1woi h ALA 51 Ca 0.00 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.96 1woi h ALA 51 Cb 0.56 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 1woi h ALA 51 CO 0.00 0.06 0.05 -1.35 0.00 0.00 0.00 179.25 178.00 1woi h PRO 52 N 0.61 0.16 -0.26 0.00 0.11 -1.75 0.48 132.00 131.36 1woi h PRO 52 Ca 0.17 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 1woi h PRO 52 Cb -0.03 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 1woi h PRO 52 CO -0.03 0.11 0.09 -0.09 -0.21 0.00 0.00 178.00 177.86 1woi h ARG 53 N 0.17 0.40 -0.79 1.05 2.43 -1.82 -0.49 114.38 115.33 1woi h ARG 53 Ca 0.27 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.32 1woi h ARG 53 Cb 0.40 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 1woi h ARG 53 CO -0.40 0.47 0.36 0.00 -1.51 0.00 0.00 179.97 178.88 1woi h ALA 54 N 0.92 1.13 -0.47 2.80 0.00 -0.59 -0.91 119.26 122.14 1woi h ALA 54 Ca 0.08 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1woi h ALA 54 Cb 0.23 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1woi h ALA 54 CO -0.00 0.64 -0.08 -0.07 0.00 0.00 0.00 179.25 179.74 1woi h LEU 55 N 1.14 0.82 -0.18 0.00 3.38 0.18 0.04 115.31 120.68 1woi h LEU 55 Ca 0.27 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1woi h LEU 55 Cb 0.15 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1woi h LEU 55 CO -0.03 0.93 0.06 0.03 0.09 0.00 0.00 178.44 179.52 1woi h ARG 56 N 0.76 0.28 -0.39 1.13 3.08 -0.43 -0.65 114.38 118.16 1woi h ARG 56 Ca 0.13 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1woi h ARG 56 Cb 0.57 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1woi h ARG 56 CO 0.03 0.37 0.25 0.93 -1.07 0.00 0.00 179.97 180.49 1woi h GLU 57 N 0.12 0.51 -0.03 0.04 5.08 -0.99 -2.48 114.58 116.84 1woi h GLU 57 Ca 0.06 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1woi h GLU 57 Cb 0.21 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1woi h GLU 57 CO -0.00 0.35 -0.18 0.00 -1.00 0.00 0.00 179.01 178.18 1woi h ALA 58 N 1.13 1.64 0.00 3.43 0.00 -0.85 -2.54 119.26 122.07 1woi h ALA 58 Ca 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1woi h ALA 58 Cb -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1woi h ALA 58 CO -0.03 0.27 0.00 0.66 0.00 0.00 0.00 179.25 180.15 1woi h SER 59 N 0.05 0.00 0.43 0.00 4.64 -0.63 -1.93 113.55 116.12 1woi h SER 59 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1woi h SER 59 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1woi h SER 59 CO 0.02 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.16 1woi n LEU 60 N -2.76 0.59 0.09 5.97 4.77 -0.96 0.30 117.00 125.00 1woi n LEU 60 Ca -0.00 0.69 0.12 0.00 -0.03 0.00 0.00 56.01 56.79 1woi n LEU 60 Cb 0.20 -0.67 0.24 0.00 -2.33 0.00 0.00 43.42 40.87 1woi n LEU 60 CO 0.21 -0.69 0.54 0.03 -1.33 0.00 0.00 177.39 176.15 1woi h ARG 61 N 0.00 0.00 -2.05 3.23 2.47 -1.54 -3.38 114.38 113.11 1woi h ARG 61 Ca 0.00 0.00 -0.54 0.00 -1.26 0.00 0.00 59.98 58.18 1woi h ARG 61 Cb 0.22 0.00 -0.41 0.00 -1.65 0.00 0.00 29.97 28.13 1woi h ARG 61 CO 0.00 0.00 -0.89 0.43 0.56 0.00 0.00 179.97 180.07 1woi n SER 62 N -2.24 2.96 -4.68 7.04 7.64 0.15 -5.08 113.62 119.40 1woi n SER 62 Ca 0.04 -3.38 -0.42 0.00 1.01 0.00 0.00 58.87 56.12 1woi n SER 62 Cb 0.45 -0.57 -0.03 0.00 -1.01 0.00 0.00 64.21 63.04 1woi n SER 62 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1woi s VAL 63 N -3.71 4.86 0.77 0.44 1.01 -1.17 -4.84 120.40 117.76 1woi s VAL 63 Ca 0.44 1.80 -0.11 0.00 0.00 0.00 0.00 61.98 64.11 1woi s VAL 63 Cb 0.33 -4.21 0.06 0.00 0.00 0.00 0.00 36.38 32.56 1woi s VAL 63 CO -0.11 0.05 1.08 -2.16 0.00 0.00 0.00 175.10 173.96 1woi s PRO 64 N 1.91 2.25 0.86 2.72 0.04 -1.26 -4.74 135.00 136.78 1woi s PRO 64 Ca 0.43 1.03 -0.11 0.00 0.04 0.00 0.00 61.00 62.38 1woi s PRO 64 Cb -0.18 -1.91 0.15 0.00 0.04 0.00 0.00 34.50 32.61 1woi s PRO 64 CO 0.16 -1.61 1.20 -1.25 0.04 0.00 0.00 177.00 175.55 1woi s PRO 65 N -4.96 1.21 -0.07 0.56 0.04 -1.26 -5.12 135.00 125.40 1woi s PRO 65 Ca 0.61 -0.44 0.03 0.00 0.04 0.00 0.00 61.00 61.23 1woi s PRO 65 Cb -0.16 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.40 1woi s PRO 65 CO 0.56 -1.98 -0.16 -0.06 0.04 0.00 0.00 177.00 175.40 1woi s PHE 66 N -3.63 1.81 -0.33 0.56 0.40 -0.78 -4.98 117.98 111.03 1woi s PHE 66 Ca 0.69 -0.69 -0.07 0.00 -0.60 0.00 0.00 56.93 56.26 1woi s PHE 66 Cb -0.06 -1.27 0.03 0.00 0.51 0.00 0.00 43.02 42.23 1woi s PHE 66 CO 0.50 -0.31 0.11 0.99 0.70 0.00 0.00 175.22 177.20 1woi s THR 67 N 0.52 3.94 0.82 0.64 2.01 -1.26 -0.55 115.64 121.76 1woi s THR 67 Ca -0.15 -0.94 -0.14 0.00 0.31 0.00 0.00 61.69 60.77 1woi s THR 67 Cb -0.16 -3.15 0.20 0.00 0.01 0.00 0.00 72.50 69.40 1woi s THR 67 CO 0.05 -0.09 0.88 0.61 -0.69 0.00 0.00 174.62 175.39 1woi n GLY 68 N 4.85 -2.12 0.28 4.40 0.00 -0.54 -4.85 105.19 107.22 1woi n GLY 68 Ca -0.13 -1.58 0.19 0.00 0.00 0.00 0.00 46.02 44.50 1woi n GLY 68 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1woi h LEU 69 N 0.00 0.00 -0.45 0.99 5.85 -1.99 -1.14 115.31 118.57 1woi h LEU 69 Ca -0.31 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1woi h LEU 69 Cb 0.90 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.93 1woi h LEU 69 CO 0.21 0.00 -0.02 -0.90 -0.34 0.00 0.00 178.44 177.38 1woi n ASP 70 N -2.98 0.73 0.00 1.25 5.68 -1.26 -4.90 116.55 115.07 1woi n ASP 70 Ca -0.01 -1.13 0.00 0.00 -0.50 0.00 0.00 54.79 53.15 1woi n ASP 70 Cb 0.20 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 1woi n ASP 70 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1woi n GLY 71 N 1.13 2.90 3.76 6.12 0.00 -0.43 -5.01 105.19 113.66 1woi n GLY 71 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1woi n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1woi s LYS 72 N -0.29 4.53 -0.06 1.61 1.02 -1.26 -4.71 119.74 120.58 1woi s LYS 72 Ca 0.00 1.96 0.00 0.00 0.02 0.00 0.00 55.97 57.95 1woi s LYS 72 Cb 0.00 -3.15 -0.03 0.00 -0.52 0.00 0.00 37.83 34.13 1woi s LYS 72 CO 0.00 0.06 -0.04 0.99 -0.92 0.00 0.00 175.35 175.44 1woi s THR 73 N -1.13 3.95 0.15 2.17 2.01 -1.26 -1.46 115.64 120.07 1woi s THR 73 Ca 0.46 -0.45 0.10 0.00 0.31 0.00 0.00 61.69 62.12 1woi s THR 73 Cb -0.35 -2.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 1woi s THR 73 CO 0.45 0.56 -0.23 -0.13 -0.69 0.00 0.00 174.62 174.58 1woi s ARG 74 N -0.98 1.34 -0.93 4.92 0.52 0.28 -4.67 118.95 119.44 1woi s ARG 74 Ca 0.14 -1.38 0.00 0.00 -0.52 0.00 0.00 55.73 53.97 1woi s ARG 74 Cb -0.11 -1.63 0.00 0.00 0.52 0.00 0.00 34.95 33.73 1woi s ARG 74 CO 0.03 0.36 0.00 1.28 0.02 0.00 0.00 175.30 176.99 1woi n LEU 75 N 0.60 -0.57 -4.66 2.53 4.77 -1.26 -1.86 117.00 116.54 1woi n LEU 75 Ca -0.15 0.22 -0.42 0.00 -0.03 0.00 0.00 56.01 55.62 1woi n LEU 75 Cb 0.55 -1.62 -0.03 0.00 -2.33 0.00 0.00 43.42 39.99 1woi n LEU 75 CO 0.26 -0.52 1.27 -1.58 -1.33 0.00 0.00 177.39 175.49 1woi s GLN 76 N -2.60 4.20 0.00 3.23 2.00 -1.26 -2.32 119.66 122.91 1woi s GLN 76 Ca 0.00 2.04 0.00 0.00 -2.00 0.00 0.00 55.36 55.40 1woi s GLN 76 Cb 0.00 -3.88 0.00 0.00 0.80 0.00 0.00 33.01 29.93 1woi s GLN 76 CO 0.00 -0.78 0.00 0.41 -0.50 0.00 0.00 175.29 174.42 1woi n GLY 77 N 3.95 1.89 3.69 2.59 0.00 -1.26 -5.02 105.19 111.02 1woi n GLY 77 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1woi n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1woi s VAL 78 N -2.40 3.97 0.06 1.61 1.01 -0.98 -5.01 120.40 118.65 1woi s VAL 78 Ca 0.00 1.33 -0.11 0.00 0.00 0.00 0.00 61.98 63.20 1woi s VAL 78 Cb 0.00 -3.85 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 1woi s VAL 78 CO 0.00 0.00 0.41 0.42 0.00 0.00 0.00 175.10 175.93 1woi s THR 79 N 2.25 5.07 0.21 3.92 -4.23 -1.26 -4.97 115.64 116.63 1woi s THR 79 Ca 0.60 0.56 0.11 0.00 -1.18 0.00 0.00 61.69 61.78 1woi s THR 79 Cb -0.28 -3.66 -0.05 0.00 1.34 0.00 0.00 72.50 69.85 1woi s THR 79 CO 0.24 0.36 -0.22 -0.36 -0.54 0.00 0.00 174.62 174.11 1woi s PHE 80 N -1.32 2.19 -0.00 3.99 0.40 -1.26 -0.80 117.98 121.18 1woi s PHE 80 Ca 0.31 -0.38 -0.13 0.00 -0.60 0.00 0.00 56.93 56.13 1woi s PHE 80 Cb -0.15 -1.04 0.02 0.00 0.51 0.00 0.00 43.02 42.36 1woi s PHE 80 CO 0.17 0.53 0.27 0.00 0.70 0.00 0.00 175.22 176.89 1woi s ALA 81 N -2.03 -0.67 -0.27 5.36 0.00 -0.20 -4.20 121.76 119.76 1woi s ALA 81 Ca 0.23 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.39 1woi s ALA 81 Cb -0.06 0.12 0.07 0.00 0.00 0.00 0.00 23.12 23.24 1woi s ALA 81 CO 0.11 -0.27 -0.04 0.34 0.00 0.00 0.00 175.76 175.90 1woi s ASP 82 N -1.44 4.21 -0.03 0.00 -1.08 -0.39 -0.67 116.67 117.27 1woi s ASP 82 Ca -0.13 -1.46 0.03 0.00 -0.52 0.00 0.00 52.55 50.47 1woi s ASP 82 Cb -0.05 -1.35 0.12 0.00 -1.46 0.00 0.00 42.92 40.18 1woi s ASP 82 CO 0.03 -0.26 0.82 0.00 0.52 0.00 0.00 175.17 176.27 1woi n ALA 83 N 4.54 2.65 -0.51 3.66 0.00 0.07 -0.67 120.51 130.24 1woi n ALA 83 Ca -0.09 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1woi n ALA 83 Cb 0.43 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1woi n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1woi n GLY 84 N 0.28 0.41 3.48 0.00 0.00 -1.25 -4.10 105.19 103.99 1woi n GLY 84 Ca 0.04 -0.84 -0.26 0.00 0.00 0.00 0.00 46.02 44.96 1woi n GLY 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1woi s ASP 85 N -4.00 3.70 0.37 1.61 1.01 -1.26 -1.09 116.67 117.01 1woi s ASP 85 Ca 0.00 -0.83 -0.27 0.00 0.71 0.00 0.00 52.55 52.16 1woi s ASP 85 Cb 0.00 -0.39 -0.09 0.00 1.01 0.00 0.00 42.92 43.44 1woi s ASP 85 CO 0.00 0.09 1.28 -0.69 0.21 0.00 0.00 175.17 176.06 1woi s VAL 86 N -1.89 2.76 -0.69 -1.27 1.01 -0.58 -4.92 120.40 114.82 1woi s VAL 86 Ca 0.24 0.71 -0.24 0.00 0.00 0.00 0.00 61.98 62.69 1woi s VAL 86 Cb -0.07 -3.43 0.06 0.00 0.00 0.00 0.00 36.38 32.93 1woi s VAL 86 CO 0.13 0.13 1.07 -0.63 0.00 0.00 0.00 175.10 175.80 1woi s ILE 87 N -1.23 4.12 0.18 2.22 1.01 -1.26 -4.81 121.20 121.43 1woi s ILE 87 Ca 0.53 -0.10 -0.12 0.00 0.00 0.00 0.00 60.65 60.96 1woi s ILE 87 Cb -0.38 -4.77 -0.07 0.00 0.01 0.00 0.00 42.46 37.26 1woi s ILE 87 CO 0.49 -1.60 0.54 -0.76 0.00 0.00 0.00 174.94 173.61 1woi s LEU 88 N 4.64 4.27 0.82 2.97 1.43 -1.26 -4.99 118.68 126.54 1woi s LEU 88 Ca 0.26 0.99 -0.05 0.00 -1.03 0.00 0.00 54.13 54.31 1woi s LEU 88 Cb -0.14 -3.43 0.17 0.00 0.03 0.00 0.00 46.19 42.82 1woi s LEU 88 CO 0.12 0.03 1.12 -2.16 0.23 0.00 0.00 176.35 175.69 1woi s PRO 89 N -2.32 1.20 0.11 1.29 0.04 -1.26 -5.06 135.00 129.00 1woi s PRO 89 Ca 0.42 -1.05 -0.15 0.00 0.04 0.00 0.00 61.00 60.25 1woi s PRO 89 Cb -0.13 -2.19 -0.07 0.00 0.04 0.00 0.00 34.50 32.15 1woi s PRO 89 CO 0.20 -1.85 0.53 -1.12 0.04 0.00 0.00 177.00 174.80 1woi s SER 90 N -4.85 6.87 0.78 6.66 0.01 -1.26 -4.87 113.70 117.05 1woi s SER 90 Ca 0.70 1.09 0.00 0.00 1.31 0.00 0.00 55.95 59.06 1woi s SER 90 Cb -0.04 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1woi s SER 90 CO 0.48 0.17 0.00 0.18 0.41 0.00 0.00 173.24 174.48 1woi n LEU 91 N 1.13 0.00 -3.93 2.44 4.77 -1.26 -4.87 117.00 115.28 1woi n LEU 91 Ca -0.08 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.51 1woi n LEU 91 Cb 0.52 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.63 1woi n LEU 91 CO 0.42 0.00 -0.15 -0.62 -1.33 0.00 0.00 177.39 175.71 1woi n GLU 92 N 14.00 -0.66 -0.34 3.23 -0.58 -1.26 -4.75 120.64 130.28 1woi n GLU 92 Ca 0.00 0.29 0.03 0.00 -0.42 0.00 0.00 57.16 57.06 1woi n GLU 92 Cb 0.00 -2.86 0.17 0.00 -0.57 0.00 0.00 31.44 28.18 1woi n GLU 92 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1woi h PRO 93 N -2.05 1.02 -0.71 3.49 0.13 -1.96 -1.39 132.00 130.53 1woi h PRO 93 Ca -0.68 -0.06 0.03 0.00 -0.87 0.00 0.00 66.00 64.42 1woi h PRO 93 Cb 1.39 -0.23 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 1woi h PRO 93 CO 0.48 0.68 0.44 0.37 -0.23 0.00 0.00 178.00 179.74 1woi h GLN 94 N 1.05 0.83 -0.42 0.86 4.15 -2.00 0.15 115.11 119.73 1woi h GLN 94 Ca 0.42 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.74 1woi h GLN 94 Cb 0.24 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 1woi h GLN 94 CO -0.19 0.55 0.07 1.25 -1.93 0.00 0.00 178.83 178.57 1woi h LEU 95 N 0.85 0.66 -0.67 -2.39 5.85 -1.78 -2.44 115.31 115.39 1woi h LEU 95 Ca 0.29 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.79 1woi h LEU 95 Cb 0.04 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 1woi h LEU 95 CO -0.12 0.75 0.40 0.00 -0.34 0.00 0.00 178.44 179.14 1woi h ALA 96 N 0.94 0.89 -0.55 1.25 0.00 -0.58 -1.83 119.26 119.38 1woi h ALA 96 Ca 0.13 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1woi h ALA 96 Cb 0.37 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1woi h ALA 96 CO 0.01 0.13 0.36 0.45 0.00 0.00 0.00 179.25 180.20 1woi h HIS 97 N 0.77 0.69 -0.66 0.00 3.86 -0.79 -0.44 115.15 118.57 1woi h HIS 97 Ca 0.28 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.49 1woi h HIS 97 Cb 0.09 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.30 1woi h HIS 97 CO -0.06 0.43 0.34 -0.44 0.86 0.00 0.00 177.93 179.06 1woi h ASP 98 N 0.74 0.85 -0.06 2.45 3.32 -0.95 -0.59 116.42 122.18 1woi h ASP 98 Ca 0.20 -0.12 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 1woi h ASP 98 Cb -0.08 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 1woi h ASP 98 CO -0.04 0.72 -0.30 0.03 -1.72 0.00 0.00 179.24 177.93 1woi h ARG 99 N 0.91 0.53 -0.04 3.56 3.08 -1.06 -1.71 114.38 119.65 1woi h ARG 99 Ca 0.23 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1woi h ARG 99 Cb 0.08 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1woi h ARG 99 CO -0.03 0.78 0.02 0.82 -1.07 0.00 0.00 179.97 180.48 1woi h ILE 100 N 0.46 1.16 -0.10 2.04 2.04 -0.60 -1.12 117.51 121.38 1woi h ILE 100 Ca 0.06 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 1woi h ILE 100 Cb 0.76 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1woi h ILE 100 CO 0.06 0.13 0.06 0.74 0.00 0.00 0.00 178.15 179.14 1woi h THR 101 N -0.11 1.06 -0.37 -0.27 2.02 -1.04 0.62 112.91 114.82 1woi h THR 101 Ca 0.01 -0.14 0.05 0.00 0.77 0.00 0.00 66.41 67.10 1woi h THR 101 Cb 0.19 0.96 -0.05 0.00 -1.74 0.00 0.00 68.15 67.52 1woi h THR 101 CO -0.00 0.05 0.10 -0.08 0.37 0.00 0.00 175.52 175.96 1woi h GLU 102 N 0.11 0.22 -0.51 6.66 4.57 -1.26 0.24 114.58 124.62 1woi h GLU 102 Ca 0.04 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 1woi h GLU 102 Cb 0.03 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1woi h GLU 102 CO -0.01 0.15 0.20 0.00 -1.18 0.00 0.00 179.01 178.17 1woi h ALA 103 N 1.26 0.66 -0.54 2.92 0.00 -1.02 -1.65 119.26 120.89 1woi h ALA 103 Ca 0.17 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1woi h ALA 103 Cb 0.18 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1woi h ALA 103 CO -0.21 0.27 0.32 0.00 0.00 0.00 0.00 179.25 179.64 1woi h ALA 104 N 1.05 0.70 -0.42 0.00 0.00 -0.16 -1.00 119.26 119.43 1woi h ALA 104 Ca 0.17 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1woi h ALA 104 Cb 0.20 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1woi h ALA 104 CO -0.01 0.03 0.26 0.00 0.00 0.00 0.00 179.25 179.53 1woi h ARG 105 N 0.63 0.52 -0.57 0.00 3.08 -0.21 0.67 114.38 118.50 1woi h ARG 105 Ca 0.22 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 1woi h ARG 105 Cb 0.04 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1woi h ARG 105 CO -0.10 0.34 0.25 1.96 -1.07 0.00 0.00 179.97 181.34 1woi h GLN 106 N 0.53 0.85 -0.31 0.04 4.20 -0.86 -1.51 115.11 118.05 1woi h GLN 106 Ca 0.16 -0.14 -0.17 0.00 0.06 0.00 0.00 58.65 58.56 1woi h GLN 106 Cb -0.02 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.61 1woi h GLN 106 CO -0.06 0.72 -0.48 0.28 -0.67 0.00 0.00 178.83 178.62 1woi h VAL 107 N 0.78 1.28 -0.53 -0.54 2.07 -1.01 -3.06 116.25 115.25 1woi h VAL 107 Ca 0.19 -1.67 0.05 0.00 0.82 0.00 0.00 66.70 66.09 1woi h VAL 107 Cb 0.17 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 1woi h VAL 107 CO -0.02 0.54 0.27 0.03 0.02 0.00 0.00 177.57 178.42 1woi h ARG 108 N 0.66 0.51 0.00 1.57 2.47 -0.65 -1.33 114.38 117.61 1woi h ARG 108 Ca 0.03 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1woi h ARG 108 Cb 1.07 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.27 1woi h ARG 108 CO 0.11 0.33 0.00 0.41 0.56 0.00 0.00 179.97 181.38 1woi n GLY 109 N -1.25 -1.02 0.56 0.04 0.00 -0.59 -2.92 105.19 100.01 1woi n GLY 109 Ca 0.05 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1woi n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1woi n ARG 110 N -1.51 1.49 -4.11 1.61 1.74 -0.53 -5.03 116.66 110.33 1woi n ARG 110 Ca 0.04 -1.55 -0.13 0.00 -0.77 0.00 0.00 57.85 55.44 1woi n ARG 110 Cb 0.18 -1.25 -0.06 0.00 -1.02 0.00 0.00 32.46 30.30 1woi n ARG 110 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1woi n ARG 112 N -0.45 0.64 -3.84 0.00 0.63 -0.47 -4.84 116.66 108.33 1woi n ARG 112 Ca 0.01 0.46 -0.30 0.00 -0.92 0.00 0.00 57.85 57.10 1woi n ARG 112 Cb 0.63 -1.73 -0.16 0.00 0.45 0.00 0.00 32.46 31.65 1woi n ARG 112 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1woi s VAL 113 N -2.44 1.15 0.27 5.15 1.01 -0.04 -4.83 120.40 120.68 1woi s VAL 113 Ca -0.27 -1.17 -0.24 0.00 0.00 0.00 0.00 61.98 60.30 1woi s VAL 113 Cb 0.06 -1.62 -0.09 0.00 0.00 0.00 0.00 36.38 34.73 1woi s VAL 113 CO 0.65 -0.31 0.86 -2.16 0.00 0.00 0.00 175.10 174.14 1woi s PRO 114 N 1.54 4.49 -0.18 2.72 0.04 -1.26 -2.59 135.00 139.77 1woi s PRO 114 Ca 0.01 1.18 0.01 0.00 0.04 0.00 0.00 61.00 62.23 1woi s PRO 114 Cb -0.18 -2.89 0.02 0.00 0.04 0.00 0.00 34.50 31.49 1woi s PRO 114 CO -0.12 0.36 -0.20 0.08 0.04 0.00 0.00 177.00 177.16 1woi s VAL 115 N -1.52 2.03 -0.22 -0.36 1.01 0.10 -2.28 120.40 119.16 1woi s VAL 115 Ca 0.46 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 1woi s VAL 115 Cb -0.19 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1woi s VAL 115 CO 0.24 0.53 0.08 -0.36 0.00 0.00 0.00 175.10 175.59 1woi s PHE 116 N 1.30 3.18 -0.42 5.22 0.40 0.98 -0.65 117.98 127.99 1woi s PHE 116 Ca 0.05 -0.10 -0.12 0.00 -0.60 0.00 0.00 56.93 56.16 1woi s PHE 116 Cb -0.13 -2.18 0.06 0.00 0.51 0.00 0.00 43.02 41.28 1woi s PHE 116 CO -0.13 -0.08 0.28 -0.51 0.70 0.00 0.00 175.22 175.49 1woi s LEU 117 N 1.01 5.13 0.98 -0.37 1.43 -0.29 -0.52 118.68 126.06 1woi s LEU 117 Ca 0.05 -1.26 -0.16 0.00 -1.03 0.00 0.00 54.13 51.72 1woi s LEU 117 Cb -0.14 -2.06 0.20 0.00 0.03 0.00 0.00 46.19 44.22 1woi s LEU 117 CO 0.03 -0.51 1.27 -0.83 0.23 0.00 0.00 176.35 176.54 1woi s GLY 118 N 2.03 1.73 0.00 -3.19 0.00 0.18 -0.24 107.32 107.83 1woi s GLY 118 Ca 0.03 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.66 1woi s GLY 118 CO 0.05 -0.34 0.00 0.61 0.00 0.00 0.00 173.10 173.42 1woi n GLY 119 N -3.26 -0.25 3.80 0.20 0.00 -0.23 -3.40 105.19 102.05 1woi n GLY 119 Ca 0.14 -1.51 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 1woi n GLY 119 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1woi s ASP 120 N -1.41 3.27 0.42 1.61 1.47 0.13 -1.36 116.67 120.80 1woi s ASP 120 Ca 0.00 0.79 0.29 0.00 1.18 0.00 0.00 52.55 54.81 1woi s ASP 120 Cb 0.00 -1.22 1.43 0.00 -0.34 0.00 0.00 42.92 42.79 1woi s ASP 120 CO 0.00 -2.68 1.88 -0.74 0.68 0.00 0.00 175.17 174.31 1woi h HIS 121 N -1.59 0.00 0.00 2.11 -0.00 -1.90 -2.75 115.15 111.02 1woi h HIS 121 Ca -0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 59.88 1woi h HIS 121 Cb 1.31 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.72 1woi h HIS 121 CO -0.23 0.00 -0.04 0.66 -0.00 0.00 0.00 177.93 178.32 1woi h SER 122 N 0.00 0.00 0.38 3.26 4.64 -1.80 -1.89 113.55 118.14 1woi h SER 122 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1woi h SER 122 Cb 0.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1woi h SER 122 CO 0.00 0.04 -0.06 -0.37 -0.87 0.00 0.00 176.83 175.57 1woi h VAL 123 N 0.00 0.32 -0.13 0.95 -1.51 -1.84 -2.65 116.25 111.40 1woi h VAL 123 Ca -0.00 -0.37 0.04 0.00 -1.23 0.00 0.00 66.70 65.13 1woi h VAL 123 Cb 0.13 1.27 -0.01 0.00 -2.13 0.00 0.00 31.29 30.56 1woi h VAL 123 CO 0.00 0.06 0.11 0.28 -1.23 0.00 0.00 177.57 176.79 1woi h SER 124 N 0.00 0.00 0.44 4.19 0.02 -1.58 -2.29 113.55 114.33 1woi h SER 124 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1woi h SER 124 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1woi h SER 124 CO 0.01 0.00 -0.21 0.22 -1.14 0.00 0.00 176.83 175.71 1woi h TYR 125 N 0.00 -0.54 0.00 3.45 3.20 -1.66 -0.52 116.97 120.90 1woi h TYR 125 Ca 0.06 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 1woi h TYR 125 Cb 0.27 0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 1woi h TYR 125 CO 0.00 -0.34 -0.02 -1.00 -1.64 0.00 0.00 178.16 175.16 1woi h PRO 126 N -0.76 0.00 -0.10 1.82 0.13 -1.73 -1.88 132.00 129.47 1woi h PRO 126 Ca -0.06 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.01 1woi h PRO 126 Cb 0.45 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.58 1woi h PRO 126 CO 0.10 0.02 -0.17 1.25 -0.23 0.00 0.00 178.00 178.96 1woi h LEU 127 N 0.00 0.33 -1.56 1.56 5.85 -1.36 -3.14 115.31 116.98 1woi h LEU 127 Ca -0.00 -0.54 -0.05 0.00 0.84 0.00 0.00 57.88 58.13 1woi h LEU 127 Cb 0.10 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1woi h LEU 127 CO 0.00 0.81 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.61 1woi h LEU 128 N -0.14 0.00 -2.15 2.25 3.38 -0.30 -2.33 115.31 116.03 1woi h LEU 128 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1woi h LEU 128 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1woi h LEU 128 CO 0.04 0.23 0.06 0.03 0.09 0.00 0.00 178.44 178.89 1woi h ARG 129 N 0.00 0.00 -0.01 1.13 3.08 -1.39 0.19 114.38 117.38 1woi h ARG 129 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1woi h ARG 129 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1woi h ARG 129 CO 0.03 0.00 -0.02 0.00 -1.07 0.00 0.00 179.97 178.91 1woi n ALA 130 N -1.91 2.66 -1.35 0.04 0.00 -0.87 -3.50 120.51 115.58 1woi n ALA 130 Ca -0.02 -0.29 0.02 0.00 0.00 0.00 0.00 53.44 53.15 1woi n ALA 130 Cb 0.11 -1.36 0.20 0.00 0.00 0.00 0.00 19.45 18.40 1woi n ALA 130 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1woi n PHE 131 N -0.62 0.70 0.08 0.00 3.01 0.65 -4.74 117.46 116.55 1woi n PHE 131 Ca 0.20 -1.37 0.13 0.00 1.01 0.00 0.00 57.45 57.42 1woi n PHE 131 Cb 0.23 -0.37 0.63 0.00 -0.01 0.00 0.00 39.48 39.96 1woi n PHE 131 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1woi h ALA 132 N 1.01 2.20 -0.32 4.37 0.00 -1.68 -2.06 119.26 122.77 1woi h ALA 132 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1woi h ALA 132 Cb 1.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1woi h ALA 132 CO 0.23 -0.28 0.00 -0.40 0.00 0.00 0.00 179.25 178.80 1woi n ASP 133 N -4.46 2.03 -4.53 0.00 3.85 -1.26 -4.79 116.55 107.39 1woi n ASP 133 Ca 0.05 -2.07 -0.42 0.00 -0.71 0.00 0.00 54.79 51.63 1woi n ASP 133 Cb 0.35 -0.29 -0.08 0.00 -1.35 0.00 0.00 41.12 39.75 1woi n ASP 133 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1woi s VAL 134 N -1.59 4.99 0.26 2.12 1.01 -0.78 -5.04 120.40 121.37 1woi s VAL 134 Ca 0.23 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 1woi s VAL 134 Cb 0.13 -4.04 -0.10 0.00 0.00 0.00 0.00 36.38 32.37 1woi s VAL 134 CO 0.14 -0.36 1.41 -2.16 0.00 0.00 0.00 175.10 174.13 1woi s PRO 135 N 2.44 4.28 -1.30 2.72 0.04 -1.26 -3.42 135.00 138.50 1woi s PRO 135 Ca 0.18 2.29 -0.11 0.00 0.04 0.00 0.00 61.00 63.40 1woi s PRO 135 Cb -0.15 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1woi s PRO 135 CO 0.15 -0.38 0.56 -0.25 0.04 0.00 0.00 177.00 177.12 1woi n ASP 136 N 2.02 -2.39 -4.72 6.66 8.00 -1.23 -4.73 116.55 120.16 1woi n ASP 136 Ca 0.05 -1.05 -0.42 0.00 0.71 0.00 0.00 54.79 54.09 1woi n ASP 136 Cb 0.41 -3.00 -0.03 0.00 -0.02 0.00 0.00 41.12 38.47 1woi n ASP 136 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1woi s LEU 137 N -6.85 4.39 0.02 0.64 2.96 0.52 -4.33 118.68 116.03 1woi s LEU 137 Ca 0.21 2.23 0.06 0.00 -0.22 0.00 0.00 54.13 56.41 1woi s LEU 137 Cb -0.09 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 1woi s LEU 137 CO 0.89 -0.53 -0.17 -1.00 -1.32 0.00 0.00 176.35 174.23 1woi s HIS 138 N 0.71 2.60 -0.12 5.38 3.76 -0.12 -1.82 115.29 125.68 1woi s HIS 138 Ca 0.59 -0.23 0.02 0.00 -0.15 0.00 0.00 55.06 55.29 1woi s HIS 138 Cb -0.34 -1.51 -0.00 0.00 1.11 0.00 0.00 32.58 31.84 1woi s HIS 138 CO 0.32 0.23 -0.19 0.08 -0.85 0.00 0.00 174.74 174.33 1woi s VAL 139 N -0.88 2.42 -0.33 -0.90 1.01 -0.42 -0.71 120.40 120.59 1woi s VAL 139 Ca 0.14 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 1woi s VAL 139 Cb -0.11 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.33 1woi s VAL 139 CO 0.04 0.54 0.12 -0.69 0.00 0.00 0.00 175.10 175.11 1woi s VAL 140 N 0.48 4.07 -0.20 2.92 1.01 -0.54 -0.84 120.40 127.30 1woi s VAL 140 Ca -0.13 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 1woi s VAL 140 Cb -0.17 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 1woi s VAL 140 CO 0.05 -0.09 -0.08 -1.58 0.00 0.00 0.00 175.10 173.41 1woi s GLN 141 N 1.48 3.34 -0.24 2.72 0.74 0.34 -1.47 119.66 126.58 1woi s GLN 141 Ca 0.01 -0.66 -0.15 0.00 0.05 0.00 0.00 55.36 54.62 1woi s GLN 141 Cb -0.18 -2.89 -0.04 0.00 1.10 0.00 0.00 33.01 30.99 1woi s GLN 141 CO 0.04 -0.13 0.35 -0.51 -0.55 0.00 0.00 175.29 174.50 1woi s LEU 142 N 1.26 4.10 -0.16 3.68 1.43 -0.42 -0.57 118.68 128.00 1woi s LEU 142 Ca 0.03 0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 53.19 1woi s LEU 142 Cb -0.14 -2.42 0.12 0.00 0.03 0.00 0.00 46.19 43.78 1woi s LEU 142 CO -0.03 -0.10 0.96 -0.62 0.23 0.00 0.00 176.35 176.78 1woi s ASP 143 N 1.30 -0.42 0.26 2.29 -1.08 -0.55 -1.14 116.67 117.34 1woi s ASP 143 Ca 0.16 0.50 0.24 0.00 -0.52 0.00 0.00 52.55 52.92 1woi s ASP 143 Cb -0.15 0.40 0.33 0.00 -1.46 0.00 0.00 42.92 42.04 1woi s ASP 143 CO 0.08 -0.36 1.42 0.00 0.52 0.00 0.00 175.17 176.83 1woi h ALA 144 N 2.80 0.77 -2.69 3.66 0.00 -1.73 -2.66 119.26 119.41 1woi h ALA 144 Ca -0.20 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.08 1woi h ALA 144 Cb 1.16 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.80 1woi h ALA 144 CO 0.30 0.00 -0.77 -1.01 0.00 0.00 0.00 179.25 177.77 1woi s HIS 145 N -3.22 2.37 0.03 0.00 3.76 -1.26 -1.86 115.29 115.11 1woi s HIS 145 Ca 0.05 -0.32 -0.17 0.00 -0.15 0.00 0.00 55.06 54.48 1woi s HIS 145 Cb 0.09 -1.10 -0.28 0.00 1.11 0.00 0.00 32.58 32.40 1woi s HIS 145 CO 0.70 0.60 1.08 1.25 -0.85 0.00 0.00 174.74 177.52 1woi h LEU 146 N 2.67 0.76 -1.33 0.89 5.85 -1.96 -3.48 115.31 118.72 1woi h LEU 146 Ca -0.44 -0.82 -0.42 0.00 0.84 0.00 0.00 57.88 57.05 1woi h LEU 146 Cb 1.23 -0.24 0.06 0.00 0.37 0.00 0.00 40.66 42.09 1woi h LEU 146 CO 0.55 1.50 -0.77 0.47 -0.34 0.00 0.00 178.44 179.85 1woi n ASP 147 N -3.93 -3.48 -0.59 1.25 8.00 -1.26 -4.89 116.55 111.65 1woi n ASP 147 Ca -0.13 -0.72 0.06 0.00 0.71 0.00 0.00 54.79 54.72 1woi n ASP 147 Cb 0.89 -4.39 0.15 0.00 -0.02 0.00 0.00 41.12 37.75 1woi n ASP 147 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1woi n PHE 148 N -4.53 0.00 -2.56 1.24 7.35 -1.15 -2.87 117.46 114.95 1woi n PHE 148 Ca -0.13 -1.13 -0.37 0.00 -0.76 0.00 0.00 57.45 55.07 1woi n PHE 148 Cb 0.61 -0.20 -0.04 0.00 0.35 0.00 0.00 39.48 40.20 1woi n PHE 148 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1woi s THR 149 N -2.45 3.74 -0.05 -2.13 2.01 -0.34 -4.54 115.64 111.88 1woi s THR 149 Ca 0.33 1.36 -0.01 0.00 0.31 0.00 0.00 61.69 63.69 1woi s THR 149 Cb 0.33 -3.72 -0.00 0.00 0.01 0.00 0.00 72.50 69.11 1woi s THR 149 CO -0.05 0.04 0.05 -0.78 -0.69 0.00 0.00 174.62 173.19 1woi h ASP 150 N 2.62 -0.03 -4.16 3.53 3.58 -1.93 -3.37 116.42 116.66 1woi h ASP 150 Ca -0.48 0.00 -0.49 0.00 0.42 0.00 0.00 57.03 56.48 1woi h ASP 150 Cb 1.21 0.01 -0.29 0.00 1.72 0.00 0.00 39.33 41.98 1woi h ASP 150 CO 0.63 0.25 -0.81 -0.89 -2.88 0.00 0.00 179.24 175.53 1woi s THR 151 N -1.44 1.11 -0.05 2.25 2.01 -1.26 -4.57 115.64 113.69 1woi s THR 151 Ca -0.00 -0.59 -0.02 0.00 0.31 0.00 0.00 61.69 61.38 1woi s THR 151 Cb 0.00 -0.93 0.03 0.00 0.01 0.00 0.00 72.50 71.61 1woi s THR 151 CO 0.01 0.32 0.10 -0.60 -0.69 0.00 0.00 174.62 173.76 1woi s ARG 152 N -0.28 0.04 -1.52 4.92 3.52 -0.76 -4.88 118.95 120.00 1woi s ARG 152 Ca 0.04 0.29 -0.07 0.00 -0.13 0.00 0.00 55.73 55.86 1woi s ARG 152 Cb -0.06 -0.20 0.06 0.00 -1.56 0.00 0.00 34.95 33.19 1woi s ARG 152 CO -0.00 -0.16 0.57 0.09 -0.81 0.00 0.00 175.30 174.98 1woi n ASN 153 N 4.16 -1.55 -2.43 -2.12 4.13 -1.26 -1.80 115.26 114.39 1woi n ASN 153 Ca -0.27 -1.00 -0.20 0.00 1.68 0.00 0.00 54.58 54.79 1woi n ASN 153 Cb 0.51 -2.98 0.01 0.00 -1.54 0.00 0.00 39.78 35.78 1woi n ASN 153 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1woi n ASP 154 N -2.87 -5.68 -3.91 6.41 8.00 -1.26 -5.01 116.55 112.23 1woi n ASP 154 Ca -0.16 -0.10 -0.10 0.00 0.71 0.00 0.00 54.79 55.14 1woi n ASP 154 Cb 0.61 -4.65 -0.09 0.00 -0.02 0.00 0.00 41.12 36.97 1woi n ASP 154 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1woi s THR 155 N -3.03 0.13 -0.70 -3.53 -1.32 -0.75 -5.03 115.64 101.41 1woi s THR 155 Ca 0.10 -1.04 0.21 0.00 -1.21 0.00 0.00 61.69 59.75 1woi s THR 155 Cb -0.04 -0.89 -0.26 0.00 -1.51 0.00 0.00 72.50 69.80 1woi s THR 155 CO 0.12 -0.57 0.77 0.29 -2.21 0.00 0.00 174.62 173.02 1woi n LYS 156 N 0.76 0.21 -0.53 7.08 4.76 -1.26 -1.82 118.16 127.36 1woi n LYS 156 Ca -0.19 -0.06 0.10 0.00 -2.87 0.00 0.00 58.31 55.29 1woi n LYS 156 Cb 0.58 -1.50 0.35 0.00 -1.84 0.00 0.00 35.03 32.62 1woi n LYS 156 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 1woi n TRP 157 N -1.73 1.31 -1.07 2.13 5.03 -1.26 -4.78 117.44 117.06 1woi n TRP 157 Ca 0.02 -0.57 -0.29 0.00 3.03 0.00 0.00 57.50 59.68 1woi n TRP 157 Cb 0.40 -0.15 0.22 0.00 -1.03 0.00 0.00 31.31 30.74 1woi n TRP 157 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 1woi s SER 158 N -0.95 1.56 0.00 -0.99 1.04 -1.26 -4.86 113.70 108.24 1woi s SER 158 Ca 0.51 0.92 0.25 0.00 0.48 0.00 0.00 55.95 58.11 1woi s SER 158 Cb 0.30 -1.38 1.52 0.00 0.10 0.00 0.00 66.02 66.56 1woi s SER 158 CO 0.28 -3.76 1.88 -0.46 0.98 0.00 0.00 173.24 172.16 1woi n ASN 159 N -4.56 0.00 -0.80 7.02 6.94 -1.18 -2.28 115.26 120.41 1woi n ASN 159 Ca 0.09 -0.84 0.12 0.00 -0.02 0.00 0.00 54.58 53.94 1woi n ASN 159 Cb 0.58 0.00 0.27 0.00 -2.36 0.00 0.00 39.78 38.28 1woi n ASN 159 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1woi n SER 160 N -0.99 2.46 0.00 0.53 7.64 -1.26 -4.39 113.62 117.61 1woi n SER 160 Ca 0.19 -1.82 0.00 0.00 1.01 0.00 0.00 58.87 58.26 1woi n SER 160 Cb 0.09 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1woi n SER 160 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1woi n SER 161 N 0.90 0.94 -0.25 6.43 7.64 -0.96 -1.20 113.62 127.13 1woi n SER 161 Ca 0.16 -1.33 0.05 0.00 1.01 0.00 0.00 58.87 58.77 1woi n SER 161 Cb 0.50 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.88 1woi n SER 161 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1woi h PRO 162 N 0.00 0.25 0.00 1.43 0.13 -1.69 -0.33 132.00 131.80 1woi h PRO 162 Ca 0.00 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.04 1woi h PRO 162 Cb 0.47 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 1woi h PRO 162 CO 0.00 0.17 -0.37 0.74 -0.23 0.00 0.00 178.00 178.31 1woi h PHE 163 N 0.26 0.00 -0.08 1.56 -1.00 -1.88 -0.04 116.94 115.77 1woi h PHE 163 Ca 0.41 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.16 1woi h PHE 163 Cb 0.70 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.26 1woi h PHE 163 CO -0.27 0.37 -0.08 -0.09 -1.61 0.00 0.00 178.31 176.63 1woi h ARG 164 N 0.00 0.19 -0.46 1.51 9.65 -1.46 -1.03 114.38 122.78 1woi h ARG 164 Ca -0.00 -0.10 -0.01 0.00 -1.10 0.00 0.00 59.98 58.76 1woi h ARG 164 Cb 1.13 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.70 1woi h ARG 164 CO 0.05 0.63 0.25 0.00 2.80 0.00 0.00 179.97 183.70 1woi h ARG 165 N -0.23 0.65 -0.85 0.20 2.47 -1.03 -2.64 114.38 112.95 1woi h ARG 165 Ca 0.01 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 58.64 1woi h ARG 165 Cb 0.59 -0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 28.75 1woi h ARG 165 CO 0.02 0.52 0.50 0.00 0.56 0.00 0.00 179.97 181.57 1woi h ALA 166 N 1.10 1.08 -0.33 0.04 0.00 -0.93 -2.78 119.26 117.44 1woi h ALA 166 Ca 0.16 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1woi h ALA 166 Cb 0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1woi h ALA 166 CO -0.03 0.56 -0.36 0.00 0.00 0.00 0.00 179.25 179.42 1woi n GLU 168 N -4.05 0.76 -0.00 0.00 0.28 -1.01 -2.99 120.64 113.63 1woi n GLU 168 Ca -0.02 0.01 0.02 0.00 -0.16 0.00 0.00 57.16 57.01 1woi n GLU 168 Cb 0.52 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.86 1woi n GLU 168 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1woi n ALA 169 N -1.08 2.39 -3.67 -1.84 0.00 -1.06 -4.91 120.51 110.33 1woi n ALA 169 Ca 0.19 -0.11 -0.30 0.00 0.00 0.00 0.00 53.44 53.23 1woi n ALA 169 Cb 0.14 -0.14 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1woi n ALA 169 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1woi s LEU 170 N -2.57 2.06 0.42 0.00 1.43 -0.42 -4.97 118.68 114.62 1woi s LEU 170 Ca 0.00 -2.02 0.29 0.00 -1.03 0.00 0.00 54.13 51.38 1woi s LEU 170 Cb 0.03 -0.81 1.44 0.00 0.03 0.00 0.00 46.19 46.88 1woi s LEU 170 CO 0.16 -0.35 1.88 1.55 0.23 0.00 0.00 176.35 179.82 1woi h PRO 171 N 7.50 0.00 0.00 1.29 0.13 -1.87 -1.68 132.00 137.37 1woi h PRO 171 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1woi h PRO 171 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1woi h PRO 171 CO 0.44 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.48 1woi n ASN 172 N -2.56 0.09 -4.51 1.44 6.94 -1.26 -4.39 115.26 111.00 1woi n ASN 172 Ca -0.01 0.51 -0.43 0.00 -0.02 0.00 0.00 54.58 54.64 1woi n ASN 172 Cb 0.13 -0.53 -0.02 0.00 -2.36 0.00 0.00 39.78 37.00 1woi n ASN 172 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1woi s LEU 173 N -3.16 4.28 0.27 -4.53 0.20 -0.63 -0.35 118.68 114.75 1woi s LEU 173 Ca 0.14 -1.95 0.16 0.00 0.69 0.00 0.00 54.13 53.17 1woi s LEU 173 Cb 0.18 -2.49 0.07 0.00 -0.43 0.00 0.00 46.19 43.52 1woi s LEU 173 CO 0.54 -1.22 1.39 -0.37 -0.29 0.00 0.00 176.35 176.40 1woi h VAL 174 N 6.08 0.74 -2.57 1.68 -1.51 -1.56 -3.48 116.25 115.63 1woi h VAL 174 Ca 0.22 -2.08 -0.09 0.00 -1.23 0.00 0.00 66.70 63.52 1woi h VAL 174 Cb 0.99 2.34 -0.20 0.00 -2.13 0.00 0.00 31.29 32.29 1woi h VAL 174 CO 1.29 0.42 -0.07 -2.28 -1.23 0.00 0.00 177.57 175.71 1woi s HIS 175 N -2.98 -0.40 -0.02 5.19 5.65 -1.19 -4.93 115.29 116.61 1woi s HIS 175 Ca 0.04 0.66 0.01 0.00 0.25 0.00 0.00 55.06 56.02 1woi s HIS 175 Cb 0.07 0.24 0.01 0.00 -1.18 0.00 0.00 32.58 31.72 1woi s HIS 175 CO 0.75 -0.49 -0.05 0.42 -0.65 0.00 0.00 174.74 174.72 1woi s ILE 176 N -1.26 0.46 -0.21 0.89 1.01 -1.26 -1.30 121.20 119.52 1woi s ILE 176 Ca -0.12 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.38 1woi s ILE 176 Cb -0.03 -0.44 0.03 0.00 0.01 0.00 0.00 42.46 42.03 1woi s ILE 176 CO 0.07 0.17 -0.15 -0.89 0.00 0.00 0.00 174.94 174.14 1woi s THR 177 N 0.40 2.21 -0.19 2.92 2.01 -0.02 -0.26 115.64 122.71 1woi s THR 177 Ca -0.05 -1.17 -0.04 0.00 0.31 0.00 0.00 61.69 60.73 1woi s THR 177 Cb -0.08 -2.08 -0.02 0.00 0.01 0.00 0.00 72.50 70.32 1woi s THR 177 CO -0.00 0.31 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.33 1woi s THR 178 N 1.23 3.85 -0.04 -0.82 2.01 -0.02 -0.50 115.64 121.36 1woi s THR 178 Ca -0.00 -0.35 0.06 0.00 0.31 0.00 0.00 61.69 61.70 1woi s THR 178 Cb -0.16 -2.73 -0.01 0.00 0.01 0.00 0.00 72.50 69.61 1woi s THR 178 CO -0.09 0.45 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.38 1woi s VAL 179 N 0.88 1.74 0.00 3.82 1.01 0.27 -0.30 120.40 127.81 1woi s VAL 179 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1woi s VAL 179 Cb -0.14 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.77 1woi s VAL 179 CO 0.02 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1woi n GLY 180 N 2.92 0.90 3.71 4.51 0.00 -0.28 -1.48 105.19 115.47 1woi n GLY 180 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 1woi n GLY 180 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1woi n LEU 181 N 0.00 3.80 -3.67 0.99 4.77 -1.00 -4.09 117.00 117.80 1woi n LEU 181 Ca 0.00 1.14 -0.05 0.00 -0.03 0.00 0.00 56.01 57.07 1woi n LEU 181 Cb 0.00 -1.52 -0.01 0.00 -2.33 0.00 0.00 43.42 39.55 1woi n LEU 181 CO 0.00 -0.11 0.73 0.00 -1.33 0.00 0.00 177.39 176.68 1woi s ARG 182 N -0.28 1.03 0.00 3.23 1.70 -0.78 -0.49 118.95 123.36 1woi s ARG 182 Ca 0.67 -0.52 0.00 0.00 -0.47 0.00 0.00 55.73 55.41 1woi s ARG 182 Cb -0.56 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.20 1woi s ARG 182 CO 0.47 -0.47 0.00 0.41 -1.08 0.00 0.00 175.30 174.64 1woi n GLY 183 N -0.40 3.35 0.17 3.88 0.00 -1.26 -4.70 105.19 106.23 1woi n GLY 183 Ca -0.07 -1.85 0.07 0.00 0.00 0.00 0.00 46.02 44.17 1woi n GLY 183 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1woi h LEU 184 N 0.00 0.00 -8.32 0.99 3.38 -2.02 -3.46 115.31 105.88 1woi h LEU 184 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 1woi h LEU 184 Cb 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.44 1woi h LEU 184 CO 0.00 0.27 -0.85 -0.60 0.09 0.00 0.00 178.44 177.35 1woi s ARG 185 N -3.09 1.89 0.01 1.13 3.52 -1.26 -5.13 118.95 116.02 1woi s ARG 185 Ca 0.05 -0.69 0.00 0.00 -0.13 0.00 0.00 55.73 54.96 1woi s ARG 185 Cb 0.07 -1.67 -0.01 0.00 -1.56 0.00 0.00 34.95 31.78 1woi s ARG 185 CO 0.72 0.32 -0.02 -0.06 -0.81 0.00 0.00 175.30 175.45 1woi s PHE 186 N -0.13 0.19 -0.40 5.12 0.40 -1.26 -5.07 117.98 116.83 1woi s PHE 186 Ca -0.01 -0.16 -0.29 0.00 -0.60 0.00 0.00 56.93 55.87 1woi s PHE 186 Cb -0.11 -0.12 0.01 0.00 0.51 0.00 0.00 43.02 43.31 1woi s PHE 186 CO 0.02 -0.05 1.38 0.34 0.70 0.00 0.00 175.22 177.61 1woi s ASP 187 N -0.43 6.40 0.46 1.36 -1.08 -1.26 -4.90 116.67 117.22 1woi s ASP 187 Ca -0.04 0.86 0.11 0.00 -0.52 0.00 0.00 52.55 52.97 1woi s ASP 187 Cb -0.03 -2.54 1.04 0.00 -1.46 0.00 0.00 42.92 39.93 1woi s ASP 187 CO -0.00 -1.37 2.09 1.55 0.52 0.00 0.00 175.17 177.96 1woi h PRO 188 N 10.41 0.27 -0.28 4.34 0.13 -1.99 -0.04 132.00 144.84 1woi h PRO 188 Ca -0.27 -0.02 -0.19 0.00 -0.87 0.00 0.00 66.00 64.65 1woi h PRO 188 Cb 1.10 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1woi h PRO 188 CO 1.08 0.19 -0.56 1.49 -0.23 0.00 0.00 178.00 179.98 1woi h GLU 189 N 0.28 0.88 -0.29 0.86 4.22 -1.98 -1.53 114.58 117.02 1woi h GLU 189 Ca 0.07 -0.57 -0.07 0.00 0.08 0.00 0.00 59.36 58.88 1woi h GLU 189 Cb -0.00 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1woi h GLU 189 CO -0.01 1.20 -0.10 0.00 -2.18 0.00 0.00 179.01 177.92 1woi h ALA 190 N 0.67 0.40 -0.25 2.92 0.00 -1.63 -0.83 119.26 120.54 1woi h ALA 190 Ca 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1woi h ALA 190 Cb 1.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1woi h ALA 190 CO 0.12 0.25 0.13 0.28 0.00 0.00 0.00 179.25 180.03 1woi h VAL 191 N 0.33 1.13 -0.56 0.00 2.07 -1.02 -1.01 116.25 117.19 1woi h VAL 191 Ca 0.07 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1woi h VAL 191 Cb 0.60 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1woi h VAL 191 CO 0.03 0.13 0.32 0.00 0.02 0.00 0.00 177.57 178.07 1woi h ALA 192 N 1.00 0.72 -0.49 1.67 0.00 -1.24 -1.85 119.26 119.08 1woi h ALA 192 Ca 0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1woi h ALA 192 Cb 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1woi h ALA 192 CO -0.01 0.23 0.15 0.00 0.00 0.00 0.00 179.25 179.62 1woi h ALA 193 N 1.15 1.36 -0.17 0.00 0.00 -0.93 -0.09 119.26 120.57 1woi h ALA 193 Ca 0.20 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1woi h ALA 193 Cb 0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1woi h ALA 193 CO -0.03 0.47 -0.15 0.00 0.00 0.00 0.00 179.25 179.54 1woi h ALA 194 N 1.47 0.24 -0.66 0.00 0.00 -0.82 -2.83 119.26 116.66 1woi h ALA 194 Ca 0.16 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1woi h ALA 194 Cb 0.21 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1woi h ALA 194 CO -0.01 0.13 0.09 0.00 0.00 0.00 0.00 179.25 179.46 1woi h ARG 195 N 0.05 1.10 -0.87 0.00 3.08 -1.14 -0.62 114.38 115.98 1woi h ARG 195 Ca 0.03 -0.30 0.13 0.00 0.07 0.00 0.00 59.98 59.90 1woi h ARG 195 Cb 0.67 -0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.53 1woi h ARG 195 CO 0.04 1.02 0.56 0.00 -1.07 0.00 0.00 179.97 180.52 1woi h ALA 196 N 1.04 1.80 -0.01 0.04 0.00 -0.98 0.64 119.26 121.78 1woi h ALA 196 Ca 0.20 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1woi h ALA 196 Cb 0.46 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1woi h ALA 196 CO 0.02 -0.01 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1woi n ARG 197 N -4.55 1.29 -0.95 0.00 1.74 -0.97 -4.91 116.66 108.32 1woi n ARG 197 Ca 0.16 -0.43 0.00 0.00 -0.77 0.00 0.00 57.85 56.82 1woi n ARG 197 Cb 0.42 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 1woi n ARG 197 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1woi n GLY 198 N 1.07 0.44 3.75 -0.13 0.00 0.22 -4.95 105.19 105.60 1woi n GLY 198 Ca 0.22 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 1woi n GLY 198 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1woi s HIS 199 N -2.00 2.38 -0.21 1.61 3.76 -0.28 -4.84 115.29 115.71 1woi s HIS 199 Ca 0.00 1.59 -0.08 0.00 -0.15 0.00 0.00 55.06 56.43 1woi s HIS 199 Cb 0.00 -3.20 -0.04 0.00 1.11 0.00 0.00 32.58 30.45 1woi s HIS 199 CO 0.00 -2.03 0.08 0.99 -0.85 0.00 0.00 174.74 172.93 1woi s THR 200 N -2.52 4.72 -0.25 1.30 2.01 0.65 -4.62 115.64 116.93 1woi s THR 200 Ca 0.66 -0.05 -0.02 0.00 0.31 0.00 0.00 61.69 62.59 1woi s THR 200 Cb -0.21 -3.16 0.02 0.00 0.01 0.00 0.00 72.50 69.16 1woi s THR 200 CO 0.49 0.40 -0.05 -0.63 -0.69 0.00 0.00 174.62 174.15 1woi s ILE 201 N 0.85 3.04 -0.36 1.82 1.01 -1.26 -0.84 121.20 125.47 1woi s ILE 201 Ca 0.04 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.81 1woi s ILE 201 Cb -0.14 -2.51 0.10 0.00 0.01 0.00 0.00 42.46 39.92 1woi s ILE 201 CO 0.02 0.23 0.09 -0.63 0.00 0.00 0.00 174.94 174.66 1woi s ILE 202 N 1.37 2.51 0.71 2.92 1.01 0.59 -4.99 121.20 125.32 1woi s ILE 202 Ca 0.01 -2.32 -0.15 0.00 0.00 0.00 0.00 60.65 58.20 1woi s ILE 202 Cb -0.16 -2.82 0.03 0.00 0.01 0.00 0.00 42.46 39.52 1woi s ILE 202 CO -0.04 -0.63 1.19 -2.84 0.00 0.00 0.00 174.94 172.62 1woi s PRO 203 N 0.91 2.31 0.53 2.79 0.02 -1.26 -1.13 135.00 139.17 1woi s PRO 203 Ca 0.11 1.70 0.23 0.00 0.02 0.00 0.00 61.00 63.06 1woi s PRO 203 Cb -0.20 -1.86 1.37 0.00 0.02 0.00 0.00 34.50 33.83 1woi s PRO 203 CO -0.07 -1.69 2.04 1.98 -0.33 0.00 0.00 177.00 178.93 1woi h MET 204 N -0.16 0.00 -0.60 5.54 1.85 -0.93 -0.68 114.93 119.96 1woi h MET 204 Ca -0.48 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.61 1woi h MET 204 Cb 1.29 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 33.29 1woi h MET 204 CO 0.51 0.00 0.37 -0.44 -0.40 0.00 0.00 176.91 176.95 1woi h ASP 205 N 0.00 0.70 -0.43 1.39 3.32 -1.91 -1.59 116.42 117.91 1woi h ASP 205 Ca 0.18 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 1woi h ASP 205 Cb 0.73 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 1woi h ASP 205 CO -0.00 0.52 -0.04 0.44 -1.72 0.00 0.00 179.24 178.44 1woi h ASP 206 N 0.81 0.83 -0.49 6.45 5.19 -1.47 0.27 116.42 128.02 1woi h ASP 206 Ca 0.22 -0.23 -0.06 0.00 -0.62 0.00 0.00 57.03 56.34 1woi h ASP 206 Cb -0.06 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.21 1woi h ASP 206 CO -0.04 0.92 0.08 0.58 -3.12 0.00 0.00 179.24 177.66 1woi h VAL 207 N 0.78 1.25 -0.13 -1.35 2.07 -1.35 0.11 116.25 117.63 1woi h VAL 207 Ca 0.14 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 1woi h VAL 207 Cb 0.53 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1woi h VAL 207 CO 0.03 0.32 -0.05 0.74 0.02 0.00 0.00 177.57 178.63 1woi h THR 208 N 0.67 1.31 -0.32 2.57 2.02 -1.02 -2.79 112.91 115.35 1woi h THR 208 Ca 0.15 -1.06 -0.06 0.00 0.77 0.00 0.00 66.41 66.21 1woi h THR 208 Cb 0.38 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 1woi h THR 208 CO 0.01 0.31 -0.03 0.00 0.37 0.00 0.00 175.52 176.18 1woi h ALA 209 N 0.67 0.44 -1.40 6.16 0.00 -0.41 -3.42 119.26 121.30 1woi h ALA 209 Ca 0.03 -0.26 -0.21 0.00 0.00 0.00 0.00 54.91 54.47 1woi h ALA 209 Cb 0.50 -0.12 -0.24 0.00 0.00 0.00 0.00 17.79 17.94 1woi h ALA 209 CO 0.02 0.22 -0.57 0.34 0.00 0.00 0.00 179.25 179.26 1woi s ASP 210 N -6.13 -0.46 0.24 0.00 2.15 0.38 -5.02 116.67 107.84 1woi s ASP 210 Ca -0.13 -1.39 -0.07 0.00 0.43 0.00 0.00 52.55 51.40 1woi s ASP 210 Cb 0.09 1.34 0.27 0.00 -0.30 0.00 0.00 42.92 44.32 1woi s ASP 210 CO 0.78 -0.17 1.88 0.25 -0.17 0.00 0.00 175.17 177.74 1woi h LEU 211 N 6.53 0.95 -1.30 -1.34 7.12 -1.62 -1.87 115.31 123.79 1woi h LEU 211 Ca 0.07 -0.01 0.01 0.00 0.13 0.00 0.00 57.88 58.09 1woi h LEU 211 Cb 1.11 -0.22 -0.04 0.00 -0.53 0.00 0.00 40.66 40.98 1woi h LEU 211 CO 0.13 0.66 0.48 0.00 -0.13 0.00 0.00 178.44 179.58 1woi h ALA 212 N 1.37 1.51 0.00 1.25 0.00 -1.92 0.67 119.26 122.13 1woi h ALA 212 Ca 0.35 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 1woi h ALA 212 Cb 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1woi h ALA 212 CO -0.12 0.44 -0.26 0.78 0.00 0.00 0.00 179.25 180.09 1woi h GLY 213 N 0.96 0.00 0.21 0.00 0.00 -1.71 -1.72 103.07 100.80 1woi h GLY 213 Ca 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.60 1woi h GLY 213 CO -0.07 0.00 -0.00 -2.08 0.00 0.00 0.00 176.54 174.39 1woi h VAL 214 N 0.00 1.63 -0.19 4.60 2.07 -0.57 -3.22 116.25 120.57 1woi h VAL 214 Ca -0.00 -1.86 0.04 0.00 0.82 0.00 0.00 66.70 65.70 1woi h VAL 214 Cb 0.57 2.90 -0.01 0.00 -1.52 0.00 0.00 31.29 33.23 1woi h VAL 214 CO 0.03 0.48 0.14 -0.07 0.02 0.00 0.00 177.57 178.17 1woi h LEU 215 N -0.79 0.05 -0.40 2.57 3.38 -0.90 -0.05 115.31 119.18 1woi h LEU 215 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1woi h LEU 215 Cb 0.79 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1woi h LEU 215 CO 0.00 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.57 1woi n ALA 216 N -2.56 1.81 1.06 1.53 0.00 -0.66 -2.42 120.51 119.27 1woi n ALA 216 Ca 0.01 0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.60 1woi n ALA 216 Cb 0.23 -1.38 0.10 0.00 0.00 0.00 0.00 19.45 18.40 1woi n ALA 216 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1woi n GLN 217 N -2.06 0.62 -2.18 0.00 6.02 -0.04 -4.95 117.38 114.80 1woi n GLN 217 Ca 0.03 -0.47 -0.33 0.00 -0.01 0.00 0.00 57.00 56.22 1woi n GLN 217 Cb 0.26 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.03 1woi n GLN 217 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1woi s LEU 218 N -2.70 3.62 0.71 1.08 1.43 -1.01 -5.00 118.68 116.80 1woi s LEU 218 Ca 0.16 1.93 -0.15 0.00 -1.03 0.00 0.00 54.13 55.04 1woi s LEU 218 Cb 0.18 -4.55 0.03 0.00 0.03 0.00 0.00 46.19 41.87 1woi s LEU 218 CO 0.65 -1.13 1.17 -2.16 0.23 0.00 0.00 176.35 175.12 1woi s PRO 219 N -3.72 2.35 -0.04 1.29 0.04 -1.26 -5.05 135.00 128.61 1woi s PRO 219 Ca 0.67 1.63 0.02 0.00 0.04 0.00 0.00 61.00 63.35 1woi s PRO 219 Cb -0.18 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.50 1woi s PRO 219 CO 0.31 -1.64 -0.09 1.03 0.04 0.00 0.00 177.00 176.65 1woi s ARG 220 N -3.98 1.19 -1.57 4.56 0.52 -1.26 -4.76 118.95 113.65 1woi s ARG 220 Ca 0.72 -0.30 -0.03 0.00 -0.52 0.00 0.00 55.73 55.60 1woi s ARG 220 Cb -0.26 -1.06 0.00 0.00 0.52 0.00 0.00 34.95 34.15 1woi s ARG 220 CO 0.44 0.04 0.35 0.41 0.02 0.00 0.00 175.30 176.56 1woi n GLY 221 N 3.64 -0.45 3.71 -3.53 0.00 0.21 -4.99 105.19 103.77 1woi n GLY 221 Ca -0.22 0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 1woi n GLY 221 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1woi s GLN 222 N -5.38 2.18 -0.27 1.61 -1.52 -1.26 -4.90 119.66 110.11 1woi s GLN 222 Ca 0.17 -1.89 -0.21 0.00 -1.95 0.00 0.00 55.36 51.49 1woi s GLN 222 Cb -0.08 -1.92 -0.01 0.00 -0.22 0.00 0.00 33.01 30.78 1woi s GLN 222 CO 0.21 -0.10 0.66 -0.80 -0.25 0.00 0.00 175.29 175.02 1woi s ASN 223 N -3.86 6.59 -0.06 5.90 0.01 -1.26 -0.57 114.94 121.69 1woi s ASN 223 Ca 0.40 0.66 0.06 0.00 -0.71 0.00 0.00 52.86 53.26 1woi s ASN 223 Cb 0.05 -2.35 -0.01 0.00 0.41 0.00 0.00 41.25 39.35 1woi s ASN 223 CO 0.22 -0.44 -0.24 -0.69 -1.51 0.00 0.00 177.10 174.44 1woi s VAL 224 N 2.61 1.97 -0.18 1.60 1.01 0.77 -0.94 120.40 127.24 1woi s VAL 224 Ca 0.27 -1.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 1woi s VAL 224 Cb -0.15 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1woi s VAL 224 CO 0.10 0.55 -0.03 -0.47 0.00 0.00 0.00 175.10 175.24 1woi s TYR 225 N -0.11 2.99 -0.11 5.22 5.04 0.11 -1.09 117.35 129.41 1woi s TYR 225 Ca -0.04 -0.52 -0.17 0.00 -2.44 0.00 0.00 57.07 53.89 1woi s TYR 225 Cb -0.14 -2.03 -0.04 0.00 0.35 0.00 0.00 41.96 40.10 1woi s TYR 225 CO 0.04 -0.24 0.43 -0.06 -1.34 0.00 0.00 175.55 174.38 1woi s PHE 226 N 0.84 3.53 -0.25 4.97 2.99 0.05 -1.46 117.98 128.65 1woi s PHE 226 Ca -0.01 0.84 0.00 0.00 0.00 0.00 0.00 56.93 57.77 1woi s PHE 226 Cb -0.14 -2.48 0.07 0.00 0.00 0.00 0.00 43.02 40.46 1woi s PHE 226 CO 0.02 0.24 -0.02 0.45 -0.00 0.00 0.00 175.22 175.90 1woi s SER 227 N 0.39 3.84 -0.35 1.36 0.15 -0.54 -0.95 113.70 117.61 1woi s SER 227 Ca 0.24 -1.26 -0.08 0.00 0.70 0.00 0.00 55.95 55.55 1woi s SER 227 Cb -0.15 -1.12 0.03 0.00 -1.71 0.00 0.00 66.02 63.07 1woi s SER 227 CO 0.09 -0.27 0.13 -0.69 1.20 0.00 0.00 173.24 173.71 1woi s VAL 228 N 1.43 4.06 -0.27 4.45 1.01 -0.35 -1.30 120.40 129.43 1woi s VAL 228 Ca -0.02 -0.99 -0.17 0.00 0.00 0.00 0.00 61.98 60.79 1woi s VAL 228 Cb -0.19 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1woi s VAL 228 CO -0.08 -0.17 0.47 -0.62 0.00 0.00 0.00 175.10 174.70 1woi s ASP 229 N 1.46 6.37 0.65 3.32 -1.08 -0.29 -1.11 116.67 125.99 1woi s ASP 229 Ca -0.00 0.42 0.39 0.00 -0.52 0.00 0.00 52.55 52.84 1woi s ASP 229 Cb -0.19 -2.26 2.13 0.00 -1.46 0.00 0.00 42.92 41.14 1woi s ASP 229 CO 0.04 -0.27 2.24 -0.37 0.52 0.00 0.00 175.17 177.33 1woi h VAL 230 N 5.41 0.10 0.00 1.11 -1.51 -1.64 -0.50 116.25 119.22 1woi h VAL 230 Ca -0.30 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 1woi h VAL 230 Cb 1.15 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 1woi h VAL 230 CO 0.70 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.14 1woi n ASP 231 N -3.18 0.00 0.17 4.19 5.68 -1.26 -1.89 116.55 120.25 1woi n ASP 231 Ca -0.02 -0.78 0.03 0.00 -0.50 0.00 0.00 54.79 53.52 1woi n ASP 231 Cb 0.17 0.00 0.25 0.00 -1.14 0.00 0.00 41.12 40.40 1woi n ASP 231 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1woi h GLY 232 N 3.66 0.00 -1.89 6.12 0.00 -1.35 -3.37 103.07 106.23 1woi h GLY 232 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 1woi h GLY 232 CO 0.00 0.00 0.34 -1.36 0.00 0.00 0.00 176.54 175.52 1woi s PHE 233 N -3.52 3.42 0.32 5.60 0.40 -0.79 -1.75 117.98 121.67 1woi s PHE 233 Ca 0.00 1.46 -0.29 0.00 -0.60 0.00 0.00 56.93 57.50 1woi s PHE 233 Cb 0.11 -2.77 -0.12 0.00 0.51 0.00 0.00 43.02 40.75 1woi s PHE 233 CO 0.71 -0.29 1.44 -3.47 0.70 0.00 0.00 175.22 174.32 1woi n ASP 234 N -1.34 3.33 0.33 1.36 -0.08 0.32 -4.55 116.55 115.91 1woi n ASP 234 Ca 0.06 1.19 0.21 0.00 -1.51 0.00 0.00 54.79 54.74 1woi n ASP 234 Cb 0.54 -1.54 1.12 0.00 2.34 0.00 0.00 41.12 43.58 1woi n ASP 234 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1woi h PRO 235 N 3.52 0.00 -0.06 -0.67 0.11 -1.78 0.25 132.00 133.38 1woi h PRO 235 Ca -0.47 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.48 1woi h PRO 235 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1woi h PRO 235 CO 0.70 0.00 -0.66 0.00 -0.21 0.00 0.00 178.00 177.83 1woi h ALA 236 N 2.00 0.77 0.02 -0.75 0.00 -1.95 -2.19 119.26 117.15 1woi h ALA 236 Ca -0.00 -0.58 -0.07 0.00 0.00 0.00 0.00 54.91 54.26 1woi h ALA 236 Cb 0.05 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1woi h ALA 236 CO 0.00 0.76 -0.36 0.28 0.00 0.00 0.00 179.25 179.94 1woi h VAL 237 N 0.18 1.59 -2.94 0.00 2.07 -1.45 -3.42 116.25 112.28 1woi h VAL 237 Ca -0.01 -2.34 -0.61 0.00 0.82 0.00 0.00 66.70 64.55 1woi h VAL 237 Cb 1.19 3.16 -0.41 0.00 -1.52 0.00 0.00 31.29 33.71 1woi h VAL 237 CO 0.10 0.58 -0.69 -0.63 0.02 0.00 0.00 177.57 176.95 1woi s ILE 238 N -2.28 2.07 -0.25 4.57 -1.09 -0.09 -4.62 121.20 119.50 1woi s ILE 238 Ca -0.20 -3.56 0.27 0.00 -2.23 0.00 0.00 60.65 54.93 1woi s ILE 238 Cb -0.01 -2.38 0.35 0.00 -1.58 0.00 0.00 42.46 38.84 1woi s ILE 238 CO 0.69 -1.02 1.77 1.55 -1.23 0.00 0.00 174.94 176.70 1woi h PRO 239 N 5.76 0.00 -4.65 2.79 0.13 -1.64 -3.40 132.00 130.99 1woi h PRO 239 Ca 0.13 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.63 1woi h PRO 239 Cb 0.83 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 1woi h PRO 239 CO 0.60 0.00 2.35 0.41 -0.23 0.00 0.00 178.00 181.13 1woi n GLY 240 N 0.65 2.88 3.41 1.56 0.00 -1.26 -4.78 105.19 107.65 1woi n GLY 240 Ca 0.03 -1.30 -0.16 0.00 0.00 0.00 0.00 46.02 44.59 1woi n GLY 240 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1woi s THR 241 N 5.30 0.02 0.12 2.61 -1.32 -1.26 -0.05 115.64 121.07 1woi s THR 241 Ca 0.56 -0.17 -0.26 0.00 -1.21 0.00 0.00 61.69 60.61 1woi s THR 241 Cb 0.11 -0.83 -0.05 0.00 -1.51 0.00 0.00 72.50 70.22 1woi s THR 241 CO 0.06 -0.09 1.63 -1.28 -2.21 0.00 0.00 174.62 172.73 1woi h SER 242 N 3.66 -0.78 -3.03 8.08 0.87 -1.78 -3.37 113.55 117.19 1woi h SER 242 Ca -0.28 0.11 -0.62 0.00 -1.23 0.00 0.00 61.79 59.77 1woi h SER 242 Cb 1.16 0.32 -0.41 0.00 -0.44 0.00 0.00 62.40 63.02 1woi h SER 242 CO 0.36 -0.33 -0.62 -0.44 -0.53 0.00 0.00 176.83 175.27 1woi s SER 243 N -4.90 4.43 0.50 6.23 0.01 -1.26 -4.51 113.70 114.20 1woi s SER 243 Ca -0.15 -3.76 -0.21 0.00 1.31 0.00 0.00 55.95 53.14 1woi s SER 243 Cb 0.09 -1.50 -0.07 0.00 0.21 0.00 0.00 66.02 64.76 1woi s SER 243 CO 0.66 -0.10 1.14 -2.16 0.41 0.00 0.00 173.24 173.19 1woi s PRO 244 N -1.27 3.58 -0.06 12.44 0.04 -1.26 -4.99 135.00 143.49 1woi s PRO 244 Ca 0.26 1.67 0.02 0.00 0.04 0.00 0.00 61.00 62.99 1woi s PRO 244 Cb -0.04 -2.21 0.01 0.00 0.04 0.00 0.00 34.50 32.31 1woi s PRO 244 CO -0.17 -0.67 -0.10 -2.00 0.04 0.00 0.00 177.00 174.10 1woi s GLU 245 N -2.99 1.42 0.91 4.56 2.56 -1.26 -5.07 118.70 118.83 1woi s GLU 245 Ca 0.68 -0.32 -0.10 0.00 0.00 0.00 0.00 54.97 55.22 1woi s GLU 245 Cb -0.26 -1.22 0.14 0.00 2.00 0.00 0.00 34.13 34.80 1woi s GLU 245 CO 0.30 0.01 1.13 -1.25 -0.56 0.00 0.00 175.26 174.89 1woi s PRO 246 N 0.70 1.05 -0.85 4.30 0.04 -1.26 -4.29 135.00 134.69 1woi s PRO 246 Ca -0.13 1.44 -0.03 0.00 0.04 0.00 0.00 61.00 62.31 1woi s PRO 246 Cb -0.15 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.64 1woi s PRO 246 CO 0.03 -2.57 0.72 -0.25 0.04 0.00 0.00 177.00 174.97 1woi n ASP 247 N -4.18 -6.79 -0.75 6.66 8.00 -1.26 -4.93 116.55 113.31 1woi n ASP 247 Ca 0.11 -0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.16 1woi n ASP 247 Cb 0.52 -4.37 0.00 0.00 -0.02 0.00 0.00 41.12 37.25 1woi n ASP 247 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1woi n GLY 248 N -1.67 4.41 3.76 0.44 0.00 -1.26 -4.95 105.19 105.92 1woi n GLY 248 Ca -0.08 -2.09 -0.40 0.00 0.00 0.00 0.00 46.02 43.45 1woi n GLY 248 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1woi s LEU 249 N 0.00 4.51 0.66 0.99 1.43 -0.72 -4.20 118.68 121.35 1woi s LEU 249 Ca 0.00 2.35 -0.10 0.00 -1.03 0.00 0.00 54.13 55.35 1woi s LEU 249 Cb 0.00 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.57 1woi s LEU 249 CO 0.00 -0.24 1.03 0.42 0.23 0.00 0.00 176.35 177.79 1woi s THR 250 N -1.17 3.72 0.19 5.49 -4.23 -1.26 -0.52 115.64 117.86 1woi s THR 250 Ca 0.46 0.39 -0.11 0.00 -1.18 0.00 0.00 61.69 61.25 1woi s THR 250 Cb -0.33 -3.53 0.12 0.00 1.34 0.00 0.00 72.50 70.10 1woi s THR 250 CO 0.43 -0.65 1.73 0.22 -0.54 0.00 0.00 174.62 175.81 1woi h TYR 251 N -0.46 0.29 -0.80 3.99 3.20 -1.97 -1.97 116.97 119.25 1woi h TYR 251 Ca -0.45 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.49 1woi h TYR 251 Cb 1.25 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 39.41 1woi h TYR 251 CO 0.51 0.06 0.50 0.00 -1.64 0.00 0.00 178.16 177.60 1woi h ALA 252 N 1.39 1.07 -0.27 1.82 0.00 -1.98 -0.30 119.26 120.99 1woi h ALA 252 Ca 0.27 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1woi h ALA 252 Cb 0.34 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1woi h ALA 252 CO -0.30 0.27 0.01 1.96 0.00 0.00 0.00 179.25 181.19 1woi h GLN 253 N 0.95 0.48 -0.86 0.00 4.20 -1.80 -0.03 115.11 118.04 1woi h GLN 253 Ca 0.34 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.88 1woi h GLN 253 Cb 0.09 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 1woi h GLN 253 CO -0.14 0.63 0.47 0.78 -0.67 0.00 0.00 178.83 179.90 1woi h GLY 254 N 0.26 1.28 1.66 3.46 0.00 -1.04 -2.34 103.07 106.36 1woi h GLY 254 Ca 0.08 -0.58 -0.13 0.00 0.00 0.00 0.00 47.33 46.70 1woi h GLY 254 CO 0.01 0.56 -0.48 1.98 0.00 0.00 0.00 176.54 178.61 1woi h MET 255 N 1.21 0.37 -0.66 4.80 1.85 -0.87 -1.84 114.93 119.78 1woi h MET 255 Ca 0.30 -0.20 -0.06 0.00 -0.61 0.00 0.00 59.70 59.13 1woi h MET 255 Cb 0.03 0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.04 1woi h MET 255 CO -0.05 0.77 0.16 0.87 -0.40 0.00 0.00 176.91 178.26 1woi h LYS 256 N 0.29 1.04 0.04 0.39 1.57 -0.55 0.48 116.57 119.83 1woi h LYS 256 Ca 0.02 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1woi h LYS 256 Cb 0.95 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1woi h LYS 256 CO 0.08 0.92 -0.02 0.82 -0.57 0.00 0.00 179.45 180.68 1woi h ILE 257 N 0.99 1.23 -0.75 1.86 2.04 -1.27 -1.28 117.51 120.33 1woi h ILE 257 Ca 0.21 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 1woi h ILE 257 Cb 0.35 1.82 -0.04 0.00 -0.74 0.00 0.00 36.82 38.21 1woi h ILE 257 CO 0.00 0.22 0.42 -0.07 0.00 0.00 0.00 178.15 178.72 1woi h LEU 258 N -0.43 0.92 -0.59 1.44 3.38 -1.16 -2.01 115.31 116.86 1woi h LEU 258 Ca -0.00 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1woi h LEU 258 Cb 0.40 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1woi h LEU 258 CO 0.01 0.74 0.17 0.00 0.09 0.00 0.00 178.44 179.44 1woi h ALA 259 N 1.41 0.77 -0.13 1.53 0.00 0.05 -0.16 119.26 122.72 1woi h ALA 259 Ca 0.27 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1woi h ALA 259 Cb 0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1woi h ALA 259 CO -0.04 0.45 0.01 0.00 0.00 0.00 0.00 179.25 179.67 1woi h ALA 260 N 1.04 0.18 -0.62 0.00 0.00 -0.90 -2.35 119.26 116.60 1woi h ALA 260 Ca 0.19 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1woi h ALA 260 Cb 0.31 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1woi h ALA 260 CO -0.00 -0.14 0.12 0.00 0.00 0.00 0.00 179.25 179.22 1woi h ALA 261 N 0.78 1.04 -0.83 0.00 0.00 -1.31 -2.47 119.26 116.47 1woi h ALA 261 Ca 0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1woi h ALA 261 Cb 0.33 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1woi h ALA 261 CO 0.00 0.62 0.42 0.00 0.00 0.00 0.00 179.25 180.30 1woi h ALA 262 N 1.18 1.18 0.00 0.00 0.00 -0.95 -2.39 119.26 118.28 1woi h ALA 262 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1woi h ALA 262 Cb 0.38 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1woi h ALA 262 CO 0.01 0.64 -0.02 0.00 0.00 0.00 0.00 179.25 179.87 1woi h ALA 263 N 1.29 0.99 -0.25 0.00 0.00 -1.24 -3.33 119.26 116.71 1woi h ALA 263 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1woi h ALA 263 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1woi h ALA 263 CO -0.04 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.30 1woi n ASN 264 N -2.84 2.72 -3.40 0.00 3.02 -0.95 -4.97 115.26 108.84 1woi n ASN 264 Ca 0.04 -1.82 -0.17 0.00 -0.03 0.00 0.00 54.58 52.61 1woi n ASN 264 Cb 0.50 -0.16 -0.07 0.00 -0.61 0.00 0.00 39.78 39.44 1woi n ASN 264 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1woi s ASN 265 N -1.06 1.29 -0.44 6.41 0.01 -0.92 0.64 114.94 120.87 1woi s ASN 265 Ca 0.23 -1.63 -0.14 0.00 -0.71 0.00 0.00 52.86 50.61 1woi s ASN 265 Cb 0.13 0.58 0.06 0.00 0.41 0.00 0.00 41.25 42.43 1woi s ASN 265 CO 0.19 -1.12 0.33 -0.89 -1.51 0.00 0.00 177.10 174.10 1woi s THR 266 N -3.39 5.02 -0.24 1.60 2.01 0.27 -4.89 115.64 116.02 1woi s THR 266 Ca 0.37 -1.00 -0.26 0.00 0.31 0.00 0.00 61.69 61.11 1woi s THR 266 Cb 0.02 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.59 1woi s THR 266 CO 0.24 -0.47 0.91 -0.69 -0.69 0.00 0.00 174.62 173.92 1woi s VAL 267 N 1.61 4.77 -1.66 3.82 1.01 -1.26 -0.16 120.40 128.53 1woi s VAL 267 Ca 0.04 1.72 0.21 0.00 0.00 0.00 0.00 61.98 63.95 1woi s VAL 267 Cb -0.22 -4.20 -0.07 0.00 0.00 0.00 0.00 36.38 31.89 1woi s VAL 267 CO 0.07 -0.13 0.99 1.33 0.00 0.00 0.00 175.10 177.36 1woi n VAL 268 N 5.31 0.00 0.00 2.92 0.24 -0.25 -4.85 118.33 121.71 1woi n VAL 268 Ca 0.08 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1woi n VAL 268 Cb 0.47 1.18 0.00 0.00 -1.47 0.00 0.00 33.84 34.02 1woi n VAL 268 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1woi n GLY 269 N 1.41 1.09 3.50 7.63 0.00 -1.25 -4.29 105.19 113.28 1woi n GLY 269 Ca 0.07 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 1woi n GLY 269 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1woi s LEU 270 N 0.00 -0.33 0.10 0.99 0.20 -0.96 -0.77 118.68 117.90 1woi s LEU 270 Ca 0.00 1.07 0.07 0.00 0.69 0.00 0.00 54.13 55.96 1woi s LEU 270 Cb 0.00 2.13 -0.03 0.00 -0.43 0.00 0.00 46.19 47.86 1woi s LEU 270 CO 0.00 -0.30 -0.18 1.51 -0.29 0.00 0.00 176.35 177.09 1woi s ASP 271 N -0.07 2.21 -0.24 3.68 1.47 -0.12 -0.02 116.67 123.59 1woi s ASP 271 Ca -0.03 -0.68 0.01 0.00 1.18 0.00 0.00 52.55 53.03 1woi s ASP 271 Cb -0.04 -0.10 0.06 0.00 -0.34 0.00 0.00 42.92 42.50 1woi s ASP 271 CO 0.03 -0.01 -0.05 -0.22 0.68 0.00 0.00 175.17 175.60 1woi s LEU 272 N -1.92 2.55 0.35 2.11 1.98 0.32 -1.21 118.68 122.86 1woi s LEU 272 Ca 0.04 -1.19 0.05 0.00 -2.89 0.00 0.00 54.13 50.15 1woi s LEU 272 Cb -0.09 -1.16 -0.07 0.00 0.66 0.00 0.00 46.19 45.52 1woi s LEU 272 CO 0.04 -0.24 0.03 0.68 -1.89 0.00 0.00 176.35 174.96 1woi s VAL 273 N 1.40 1.53 -0.12 1.68 -7.23 -0.27 -0.65 120.40 116.74 1woi s VAL 273 Ca -0.05 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.10 1woi s VAL 273 Cb -0.19 -2.81 0.00 0.00 0.56 0.00 0.00 36.38 33.94 1woi s VAL 273 CO -0.06 -0.04 0.00 -0.62 -0.31 0.00 0.00 175.10 174.06 1woi n GLU 274 N -0.77 -0.90 -2.37 4.82 -0.58 -0.46 -1.75 120.64 118.64 1woi n GLU 274 Ca -0.04 0.30 -0.41 0.00 -0.42 0.00 0.00 57.16 56.60 1woi n GLU 274 Cb 0.66 -4.03 -0.03 0.00 -0.57 0.00 0.00 31.44 27.47 1woi n GLU 274 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1woi s LEU 275 N -0.26 4.46 -0.44 -4.62 0.20 -1.26 -4.20 118.68 112.57 1woi s LEU 275 Ca 0.00 2.26 0.02 0.00 0.69 0.00 0.00 54.13 57.10 1woi s LEU 275 Cb 0.00 -3.61 0.14 0.00 -0.43 0.00 0.00 46.19 42.29 1woi s LEU 275 CO 0.00 -0.36 0.26 0.00 -0.29 0.00 0.00 176.35 175.96 1woi s ALA 276 N -0.19 1.92 0.31 5.97 0.00 0.93 -3.63 121.76 127.07 1woi s ALA 276 Ca 0.52 -2.51 0.06 0.00 0.00 0.00 0.00 51.96 50.03 1woi s ALA 276 Cb -0.33 -1.81 0.73 0.00 0.00 0.00 0.00 23.12 21.71 1woi s ALA 276 CO 0.38 -2.06 1.80 -1.35 0.00 0.00 0.00 175.76 174.52 1woi h PRO 277 N 6.57 0.76 0.00 0.00 0.11 -1.80 -0.53 132.00 137.11 1woi h PRO 277 Ca 0.05 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1woi h PRO 277 Cb 0.92 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1woi h PRO 277 CO 0.44 0.51 0.00 -2.95 -0.21 0.00 0.00 178.00 175.79 1woi h ASN 278 N 0.79 0.00 -0.00 -2.05 -1.07 -1.94 -2.05 115.58 109.26 1woi h ASN 278 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.92 1woi h ASN 278 Cb 0.82 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.07 1woi h ASN 278 CO -0.33 0.00 -0.06 0.18 0.07 0.00 0.00 177.43 177.29 1woi n LEU 279 N -2.91 2.15 -3.58 6.14 4.77 -0.21 -4.63 117.00 118.73 1woi n LEU 279 Ca -0.02 -0.72 -0.29 0.00 -0.03 0.00 0.00 56.01 54.96 1woi n LEU 279 Cb 0.11 -0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 41.07 1woi n LEU 279 CO 0.19 0.36 -0.26 -0.62 -1.33 0.00 0.00 177.39 175.73 1woi s ASP 280 N -2.08 3.04 0.00 -1.43 3.68 -0.77 -4.44 116.67 114.68 1woi s ASP 280 Ca 0.31 -2.72 0.08 0.00 2.13 0.00 0.00 52.55 52.34 1woi s ASP 280 Cb 0.20 -0.77 0.33 0.00 -1.45 0.00 0.00 42.92 41.23 1woi s ASP 280 CO 0.35 -0.24 1.24 -0.81 0.13 0.00 0.00 175.17 175.84 1woi n PRO 281 N 3.37 0.01 0.08 4.34 -0.04 -1.26 -1.37 135.00 140.13 1woi n PRO 281 Ca 0.16 0.36 0.13 0.00 -0.04 0.00 0.00 63.50 64.10 1woi n PRO 281 Cb 0.38 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.70 1woi n PRO 281 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1woi n THR 282 N -1.49 0.45 -0.85 0.52 -2.24 -1.26 -4.93 114.28 104.48 1woi n THR 282 Ca 0.02 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1woi n THR 282 Cb 0.09 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 1woi n THR 282 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1woi n GLY 283 N 1.34 0.38 0.20 3.38 0.00 -0.47 -4.88 105.19 105.15 1woi n GLY 283 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.13 1woi n GLY 283 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1woi h ARG 284 N 1.05 0.00 0.41 1.61 0.11 -1.92 -2.97 114.38 112.67 1woi h ARG 284 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 1woi h ARG 284 Cb 0.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.30 1woi h ARG 284 CO 0.00 0.33 -0.20 0.77 0.10 0.00 0.00 179.97 180.97 1woi h SER 285 N 0.00 -0.47 -0.60 0.08 0.02 -1.88 -0.67 113.55 110.02 1woi h SER 285 Ca -0.00 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.84 1woi h SER 285 Cb 0.75 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.39 1woi h SER 285 CO 0.04 -0.28 0.05 1.05 -1.14 0.00 0.00 176.83 176.55 1woi h GLU 286 N -0.63 1.05 -0.32 3.45 9.09 -1.93 -1.20 114.58 124.08 1woi h GLU 286 Ca -0.06 -0.30 0.00 0.00 0.05 0.00 0.00 59.36 59.05 1woi h GLU 286 Cb 0.47 -0.11 -0.02 0.00 -1.65 0.00 0.00 28.75 27.44 1woi h GLU 286 CO 0.09 1.00 0.21 -0.07 0.05 0.00 0.00 179.01 180.29 1woi h LEU 287 N 0.97 0.37 -0.54 3.06 3.38 -1.43 -0.00 115.31 121.13 1woi h LEU 287 Ca 0.18 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 1woi h LEU 287 Cb 0.49 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1woi h LEU 287 CO 0.02 0.28 -0.36 -0.07 0.09 0.00 0.00 178.44 178.40 1woi h LEU 288 N 0.43 0.83 -0.51 1.67 4.07 -1.01 -2.61 115.31 118.18 1woi h LEU 288 Ca 0.12 -0.36 -0.17 0.00 0.08 0.00 0.00 57.88 57.55 1woi h LEU 288 Cb -0.04 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.45 1woi h LEU 288 CO -0.02 1.11 -0.72 0.24 -1.08 0.00 0.00 178.44 177.96 1woi h MET 289 N 0.65 0.19 -0.51 1.13 2.86 -1.04 -0.85 114.93 117.36 1woi h MET 289 Ca 0.06 -0.16 -0.10 0.00 -2.06 0.00 0.00 59.70 57.44 1woi h MET 289 Cb 0.91 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.59 1woi h MET 289 CO 0.08 0.83 -0.07 0.00 1.06 0.00 0.00 176.91 178.81 1woi h ALA 290 N 1.12 0.91 -0.49 6.32 0.00 -0.98 -2.28 119.26 123.86 1woi h ALA 290 Ca -0.02 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 1woi h ALA 290 Cb 1.27 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1woi h ALA 290 CO 0.11 0.64 -0.05 -0.09 0.00 0.00 0.00 179.25 179.85 1woi h ARG 291 N 0.83 0.87 -0.65 0.00 2.43 -1.23 -2.32 114.38 114.30 1woi h ARG 291 Ca 0.14 -0.27 0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1woi h ARG 291 Cb 0.59 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.02 1woi h ARG 291 CO 0.04 0.90 0.40 1.25 -1.51 0.00 0.00 179.97 181.05 1woi h LEU 292 N 0.79 0.67 -0.29 3.80 5.85 -0.71 0.24 115.31 125.66 1woi h LEU 292 Ca 0.14 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1woi h LEU 292 Cb 0.55 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1woi h LEU 292 CO 0.03 0.47 0.12 0.58 -0.34 0.00 0.00 178.44 179.30 1woi h VAL 293 N 0.80 1.17 -0.66 1.05 2.07 -1.21 0.26 116.25 119.74 1woi h VAL 293 Ca 0.26 -0.51 -0.08 0.00 0.82 0.00 0.00 66.70 67.19 1woi h VAL 293 Cb 0.00 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1woi h VAL 293 CO -0.10 0.18 0.11 0.24 0.02 0.00 0.00 177.57 178.02 1woi h MET 294 N 0.32 1.09 -0.27 1.57 2.86 -0.96 -1.66 114.93 117.87 1woi h MET 294 Ca 0.10 -0.29 -0.11 0.00 -2.06 0.00 0.00 59.70 57.34 1woi h MET 294 Cb 0.17 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1woi h MET 294 CO -0.01 1.00 -0.30 1.49 1.06 0.00 0.00 176.91 180.15 1woi h GLU 295 N 1.01 0.56 -0.60 1.72 4.81 -0.39 -1.26 114.58 120.43 1woi h GLU 295 Ca 0.20 -0.24 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1woi h GLU 295 Cb 0.43 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 1woi h GLU 295 CO 0.01 0.80 0.21 1.15 -0.73 0.00 0.00 179.01 180.45 1woi h THR 296 N 0.48 1.24 -0.58 0.32 2.02 -0.65 -1.97 112.91 113.77 1woi h THR 296 Ca 0.06 -0.77 -0.03 0.00 0.77 0.00 0.00 66.41 66.44 1woi h THR 296 Cb 0.76 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 1woi h THR 296 CO 0.06 0.29 0.23 -0.07 0.37 0.00 0.00 175.52 176.40 1woi h LEU 297 N 0.84 0.76 -0.58 2.58 3.38 -0.91 0.38 115.31 121.75 1woi h LEU 297 Ca 0.20 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1woi h LEU 297 Cb 0.25 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1woi h LEU 297 CO -0.01 0.68 0.39 0.00 0.09 0.00 0.00 178.44 179.59 1woi h GLU 299 N 0.79 0.77 0.43 0.00 4.39 -0.64 -1.99 114.58 118.33 1woi h GLU 299 Ca 0.22 -0.23 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 1woi h GLU 299 Cb -0.08 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.49 1woi h GLU 299 CO -0.05 0.82 -0.22 0.28 -1.16 0.00 0.00 179.01 178.68 1woi h VAL 300 N 0.62 0.55 0.00 3.13 2.07 -0.52 -2.81 116.25 119.30 1woi h VAL 300 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1woi h VAL 300 Cb 0.46 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1woi h VAL 300 CO 0.02 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.10 1woi n PHE 301 N -5.35 0.00 1.11 1.57 3.01 -0.50 -2.70 117.46 114.59 1woi n PHE 301 Ca -0.11 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.48 1woi n PHE 301 Cb 0.26 -0.33 0.46 0.00 -0.01 0.00 0.00 39.48 39.86 1woi n PHE 301 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1woi n ASP 302 N -1.33 0.36 -1.97 4.37 4.64 -0.75 -3.81 116.55 118.06 1woi n ASP 302 Ca 0.10 -0.12 -0.03 0.00 -1.38 0.00 0.00 54.79 53.37 1woi n ASP 302 Cb 0.21 -0.07 0.06 0.00 -1.04 0.00 0.00 41.12 40.27 1woi n ASP 302 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 1woi n HIS 303 N -1.33 1.02 -2.43 -0.67 8.25 -1.10 -5.07 115.22 113.89 1woi n HIS 303 Ca 0.08 -1.60 -0.37 0.00 -0.26 0.00 0.00 57.72 55.57 1woi n HIS 303 Cb 0.32 -0.23 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 1woi n HIS 303 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1woi s VAL 304 N -2.82 3.47 -2.74 1.59 1.01 -1.24 -4.97 120.40 114.70 1woi s VAL 304 Ca 0.35 1.17 0.26 0.00 0.00 0.00 0.00 61.98 63.76 1woi s VAL 304 Cb 0.36 -3.62 0.38 0.00 0.00 0.00 0.00 36.38 33.50 1woi s VAL 304 CO -0.06 0.05 1.51 0.18 0.00 0.00 0.00 175.10 176.78