#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dfm s ARG 9 N 0.00 1.57 -0.32 -2.82 0.52 -1.26 -1.33 118.95 115.31 3dfm s ARG 9 Ca 0.00 -1.34 -0.11 0.00 -0.52 0.00 0.00 55.73 53.76 3dfm s ARG 9 Cb 0.00 -2.75 -0.02 0.00 0.52 0.00 0.00 34.95 32.70 3dfm s ARG 9 CO 0.00 -0.75 0.20 -1.17 0.02 0.00 0.00 175.30 173.60 3dfm s LEU 10 N 1.22 4.28 -0.34 2.53 2.96 0.35 -0.16 118.68 129.53 3dfm s LEU 10 Ca 0.01 -0.39 -0.11 0.00 -0.22 0.00 0.00 54.13 53.42 3dfm s LEU 10 Cb -0.19 -2.09 0.00 0.00 0.50 0.00 0.00 46.19 44.42 3dfm s LEU 10 CO -0.09 -0.19 0.19 -0.22 -1.32 0.00 0.00 176.35 174.72 3dfm s LEU 11 N 1.69 4.42 -0.11 -0.68 2.96 -0.46 -0.89 118.68 125.61 3dfm s LEU 11 Ca 0.06 -0.67 -0.13 0.00 -0.22 0.00 0.00 54.13 53.17 3dfm s LEU 11 Cb -0.17 -2.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.43 3dfm s LEU 11 CO 0.09 -0.27 0.31 0.00 -1.32 0.00 0.00 176.35 175.16 3dfm s ALA 12 N 1.62 3.65 -0.31 5.97 0.00 0.44 -1.17 121.76 131.96 3dfm s ALA 12 Ca 0.04 -0.40 -0.00 0.00 0.00 0.00 0.00 51.96 51.60 3dfm s ALA 12 Cb -0.18 -2.35 0.06 0.00 0.00 0.00 0.00 23.12 20.66 3dfm s ALA 12 CO 0.07 0.26 0.01 0.42 0.00 0.00 0.00 175.76 176.52 3dfm s ILE 13 N -0.13 2.81 -0.17 0.00 1.01 0.28 -0.89 121.20 124.10 3dfm s ILE 13 Ca 0.19 -1.59 -0.10 0.00 0.00 0.00 0.00 60.65 59.15 3dfm s ILE 13 Cb -0.14 -2.69 -0.05 0.00 0.01 0.00 0.00 42.46 39.59 3dfm s ILE 13 CO 0.07 -0.20 0.15 -0.55 0.00 0.00 0.00 174.94 174.41 3dfm s SER 14 N 1.26 6.30 0.06 3.58 0.15 -0.13 -4.03 113.70 120.88 3dfm s SER 14 Ca -0.03 0.34 -0.22 0.00 0.70 0.00 0.00 55.95 56.74 3dfm s SER 14 Cb -0.20 -2.10 -0.14 0.00 -1.71 0.00 0.00 66.02 61.88 3dfm s SER 14 CO -0.03 0.24 1.54 -0.65 1.20 0.00 0.00 173.24 175.54 3dfm h PRO 15 N 6.14 0.16 -5.74 5.44 0.11 -1.88 0.39 132.00 136.62 3dfm h PRO 15 Ca -0.45 -0.04 -0.55 0.00 0.11 0.00 0.00 66.00 65.06 3dfm h PRO 15 Cb 1.18 -0.02 -0.14 0.00 0.11 0.00 0.00 31.00 32.13 3dfm h PRO 15 CO 0.70 0.35 -0.68 -1.01 -0.21 0.00 0.00 178.00 177.15 3dfm s HIS 16 N -5.24 2.16 -0.82 0.65 3.76 -1.26 -1.15 115.29 113.39 3dfm s HIS 16 Ca -0.14 -0.58 -0.25 0.00 -0.15 0.00 0.00 55.06 53.93 3dfm s HIS 16 Cb 0.05 -1.21 -0.04 0.00 1.11 0.00 0.00 32.58 32.49 3dfm s HIS 16 CO 0.69 0.44 1.93 -0.51 -0.85 0.00 0.00 174.74 176.45 3dfm s LEU 17 N -3.52 3.20 0.00 0.89 1.43 -1.26 -2.64 118.68 116.78 3dfm s LEU 17 Ca 0.31 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 3dfm s LEU 17 Cb 0.02 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.69 3dfm s LEU 17 CO 0.14 -2.66 0.00 -0.90 0.23 0.00 0.00 176.35 173.16 3dfm n ASP 18 N 13.73 0.00 -0.15 2.29 5.75 -1.26 -4.96 116.55 131.96 3dfm n ASP 18 Ca 0.35 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 55.04 3dfm n ASP 18 Cb 0.48 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 3dfm n ASP 18 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3dfm h ASP 19 N 0.65 0.58 -0.68 -1.12 3.32 -1.87 -0.91 116.42 116.39 3dfm h ASP 19 Ca 0.00 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 3dfm h ASP 19 Cb 0.00 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 3dfm h ASP 19 CO 0.00 0.56 0.38 0.00 -1.72 0.00 0.00 179.24 178.46 3dfm h ALA 20 N 1.04 0.87 -0.12 3.45 0.00 -1.93 -0.98 119.26 121.59 3dfm h ALA 20 Ca 0.15 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3dfm h ALA 20 Cb 0.14 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3dfm h ALA 20 CO -0.02 0.37 -0.18 0.28 0.00 0.00 0.00 179.25 179.70 3dfm h VAL 21 N 0.93 1.37 -0.75 0.00 2.07 -1.85 0.18 116.25 118.21 3dfm h VAL 21 Ca 0.24 -1.41 0.02 0.00 0.82 0.00 0.00 66.70 66.37 3dfm h VAL 21 Cb 0.02 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 3dfm h VAL 21 CO -0.04 0.41 0.48 -0.07 0.02 0.00 0.00 177.57 178.37 3dfm h LEU 22 N -0.07 0.81 0.00 2.57 3.38 -1.12 -0.75 115.31 120.13 3dfm h LEU 22 Ca 0.01 -0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 3dfm h LEU 22 Cb 0.74 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 3dfm h LEU 22 CO 0.04 0.57 -1.77 -1.20 0.09 0.00 0.00 178.44 176.17 3dfm n SER 23 N -4.60 0.62 -0.16 -0.43 7.64 -0.38 -4.63 113.62 111.68 3dfm n SER 23 Ca 0.08 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.24 3dfm n SER 23 Cb 0.06 0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 3dfm n SER 23 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3dfm n PHE 24 N -2.88 0.00 -0.34 1.43 7.35 0.55 -4.75 117.46 118.82 3dfm n PHE 24 Ca -0.17 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.65 3dfm n PHE 24 Cb 0.97 -0.00 0.32 0.00 0.35 0.00 0.00 39.48 41.12 3dfm n PHE 24 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 3dfm h GLY 25 N 0.00 1.75 0.80 7.13 0.00 -0.28 -0.65 103.07 111.82 3dfm h GLY 25 Ca 0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 3dfm h GLY 25 CO 0.00 -0.11 -0.28 0.00 0.00 0.00 0.00 176.54 176.14 3dfm h ALA 26 N 1.66 0.23 -0.75 3.60 0.00 -1.90 -1.40 119.26 120.69 3dfm h ALA 26 Ca 0.58 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3dfm h ALA 26 Cb 0.95 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 3dfm h ALA 26 CO -0.41 0.24 0.50 0.78 0.00 0.00 0.00 179.25 180.36 3dfm h GLY 27 N 0.06 1.05 0.76 0.00 0.00 -1.82 0.17 103.07 103.30 3dfm h GLY 27 Ca 0.01 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 3dfm h GLY 27 CO 0.06 0.33 -0.06 1.41 0.00 0.00 0.00 176.54 178.29 3dfm h LEU 28 N 0.95 0.32 -0.95 3.11 3.38 -1.00 -0.78 115.31 120.33 3dfm h LEU 28 Ca 0.29 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3dfm h LEU 28 Cb 0.01 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3dfm h LEU 28 CO -0.08 0.64 0.09 0.00 0.09 0.00 0.00 178.44 179.17 3dfm h ALA 29 N 0.69 1.14 -0.42 1.53 0.00 -1.00 -1.97 119.26 119.23 3dfm h ALA 29 Ca 0.04 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3dfm h ALA 29 Cb 0.51 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3dfm h ALA 29 CO 0.02 0.57 0.02 0.37 0.00 0.00 0.00 179.25 180.23 3dfm h GLN 30 N 0.81 0.74 -0.24 0.00 5.75 -0.64 -2.28 115.11 119.25 3dfm h GLN 30 Ca 0.17 -0.22 0.04 0.00 -0.15 0.00 0.00 58.65 58.48 3dfm h GLN 30 Cb 0.36 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.80 3dfm h GLN 30 CO 0.01 0.80 0.01 0.00 -2.65 0.00 0.00 178.83 177.00 3dfm h ALA 31 N 0.91 0.22 -0.84 3.38 0.00 -0.88 -1.20 119.26 120.85 3dfm h ALA 31 Ca 0.12 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3dfm h ALA 31 Cb 0.45 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3dfm h ALA 31 CO 0.02 -0.41 0.39 0.00 0.00 0.00 0.00 179.25 179.25 3dfm h ALA 32 N 1.20 1.08 -0.91 0.00 0.00 -1.36 -1.53 119.26 117.73 3dfm h ALA 32 Ca 0.11 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3dfm h ALA 32 Cb 0.14 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 3dfm h ALA 32 CO -0.18 0.65 0.60 1.96 0.00 0.00 0.00 179.25 182.29 3dfm h GLN 33 N 1.19 1.17 0.00 0.00 1.08 -1.07 -1.97 115.11 115.51 3dfm h GLN 33 Ca 0.29 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 3dfm h GLN 33 Cb 0.14 -0.26 0.00 0.00 -0.05 0.00 0.00 27.48 27.30 3dfm h GLN 33 CO -0.03 0.77 0.00 -0.25 -0.95 0.00 0.00 178.83 178.37 3dfm n ASP 34 N -4.47 0.03 0.00 1.46 8.00 -0.48 -4.89 116.55 116.20 3dfm n ASP 34 Ca 0.11 0.51 0.00 0.00 0.71 0.00 0.00 54.79 56.11 3dfm n ASP 34 Cb 0.04 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 3dfm n ASP 34 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dfm n GLY 35 N 0.44 1.04 3.80 0.44 0.00 -0.74 -5.09 105.19 105.09 3dfm n GLY 35 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3dfm n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfm s ALA 36 N -2.00 2.87 -0.37 4.61 0.00 -0.60 -4.83 121.76 121.44 3dfm s ALA 36 Ca 0.00 0.59 -0.26 0.00 0.00 0.00 0.00 51.96 52.29 3dfm s ALA 36 Cb 0.00 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.89 3dfm s ALA 36 CO 0.00 -0.33 0.94 1.21 0.00 0.00 0.00 175.76 177.58 3dfm s ASN 37 N -2.04 6.68 -0.10 0.00 3.84 -0.44 -4.45 114.94 118.44 3dfm s ASN 37 Ca 0.67 0.58 0.03 0.00 0.21 0.00 0.00 52.86 54.34 3dfm s ASN 37 Cb -0.16 -2.47 -0.01 0.00 -0.55 0.00 0.00 41.25 38.06 3dfm s ASN 37 CO 0.21 -0.87 -0.19 -0.69 -2.79 0.00 0.00 177.10 172.76 3dfm s VAL 38 N 3.51 2.55 -0.07 -5.21 1.01 -1.26 -0.49 120.40 120.44 3dfm s VAL 38 Ca 0.39 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.52 3dfm s VAL 38 Cb -0.12 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 34.27 3dfm s VAL 38 CO 0.19 0.55 -0.09 -0.22 0.00 0.00 0.00 175.10 175.53 3dfm s LEU 39 N 0.12 1.43 -0.42 3.92 2.96 -0.07 -2.82 118.68 123.80 3dfm s LEU 39 Ca -0.09 -0.25 -0.07 0.00 -0.22 0.00 0.00 54.13 53.49 3dfm s LEU 39 Cb -0.16 -0.73 0.10 0.00 0.50 0.00 0.00 46.19 45.90 3dfm s LEU 39 CO 0.06 -0.03 0.26 -0.69 -1.32 0.00 0.00 176.35 174.62 3dfm s VAL 40 N 1.00 3.95 -0.19 1.68 1.01 -0.34 -0.42 120.40 127.09 3dfm s VAL 40 Ca -0.09 -1.65 -0.14 0.00 0.00 0.00 0.00 61.98 60.11 3dfm s VAL 40 Cb -0.15 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 3dfm s VAL 40 CO -0.00 -0.60 0.30 -0.47 0.00 0.00 0.00 175.10 174.33 3dfm s TYR 41 N 1.34 3.39 -0.22 5.22 5.04 -0.07 -1.61 117.35 130.43 3dfm s TYR 41 Ca 0.04 0.52 -0.07 0.00 -2.44 0.00 0.00 57.07 55.13 3dfm s TYR 41 Cb -0.24 -2.40 -0.03 0.00 0.35 0.00 0.00 41.96 39.65 3dfm s TYR 41 CO -0.00 0.10 0.05 0.99 -1.34 0.00 0.00 175.55 175.35 3dfm s THR 42 N 0.93 4.25 0.01 4.34 2.01 -0.54 -0.96 115.64 125.67 3dfm s THR 42 Ca 0.15 -0.20 -0.24 0.00 0.31 0.00 0.00 61.69 61.71 3dfm s THR 42 Cb -0.14 -2.96 -0.14 0.00 0.01 0.00 0.00 72.50 69.28 3dfm s THR 42 CO 0.05 0.38 1.04 0.58 -0.69 0.00 0.00 174.62 175.99 3dfm h VAL 43 N 5.41 0.00 -0.67 3.82 2.07 -0.99 0.11 116.25 126.00 3dfm h VAL 43 Ca -0.37 -0.31 -0.71 0.00 0.82 0.00 0.00 66.70 66.12 3dfm h VAL 43 Cb 1.18 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 3dfm h VAL 43 CO 0.60 0.00 2.97 0.49 0.02 0.00 0.00 177.57 181.66 3dfm n PHE 44 N -5.24 2.62 -0.79 1.57 3.72 -0.30 -2.99 117.46 116.05 3dfm n PHE 44 Ca -0.11 -2.93 0.07 0.00 -0.05 0.00 0.00 57.45 54.43 3dfm n PHE 44 Cb 0.35 -2.14 0.11 0.00 -0.94 0.00 0.00 39.48 36.86 3dfm n PHE 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dfm n ALA 45 N 2.88 2.22 -1.77 4.37 0.00 -1.08 -4.41 120.51 122.72 3dfm n ALA 45 Ca 0.66 -2.20 -0.41 0.00 0.00 0.00 0.00 53.44 51.49 3dfm n ALA 45 Cb 0.26 -0.30 -0.00 0.00 0.00 0.00 0.00 19.45 19.41 3dfm n ALA 45 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3dfm s GLY 46 N -2.36 2.75 -0.23 0.00 0.00 0.53 -4.70 107.32 103.31 3dfm s GLY 46 Ca 0.24 1.59 -0.29 0.00 0.00 0.00 0.00 44.72 46.27 3dfm s GLY 46 CO 0.03 2.35 1.53 0.00 0.00 0.00 0.00 173.10 177.01 3dfm s ALA 47 N -0.87 3.31 0.02 3.20 0.00 -1.26 -4.71 121.76 121.45 3dfm s ALA 47 Ca 0.55 0.40 -0.15 0.00 0.00 0.00 0.00 51.96 52.76 3dfm s ALA 47 Cb -0.47 -3.82 -0.06 0.00 0.00 0.00 0.00 23.12 18.77 3dfm s ALA 47 CO 0.60 -1.87 0.43 0.00 0.00 0.00 0.00 175.76 174.92 3dfm s ALA 48 N 4.93 3.69 -0.04 0.00 0.00 -1.26 -5.05 121.76 124.03 3dfm s ALA 48 Ca 0.67 -0.21 -0.01 0.00 0.00 0.00 0.00 51.96 52.42 3dfm s ALA 48 Cb -0.23 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 3dfm s ALA 48 CO 0.27 0.48 0.05 -0.65 0.00 0.00 0.00 175.76 175.92 3dfm s GLN 49 N -1.19 3.03 0.76 0.00 -0.21 -1.26 -4.89 119.66 115.90 3dfm s GLN 49 Ca 0.26 -0.45 -0.15 0.00 0.02 0.00 0.00 55.36 55.04 3dfm s GLN 49 Cb -0.17 -2.84 0.05 0.00 1.00 0.00 0.00 33.01 31.05 3dfm s GLN 49 CO 0.14 0.67 1.16 -2.30 -2.12 0.00 0.00 175.29 172.85 3dfm n PRO 50 N 1.55 0.41 -2.35 2.91 -0.02 -1.26 -4.31 135.00 131.93 3dfm n PRO 50 Ca -0.15 0.21 -0.41 0.00 -2.02 0.00 0.00 63.50 61.12 3dfm n PRO 50 Cb 0.53 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 3dfm n PRO 50 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3dfm s PRO 51 N -3.82 4.49 0.35 0.52 0.04 -1.26 -5.17 135.00 130.15 3dfm s PRO 51 Ca 0.75 1.91 -0.08 0.00 0.04 0.00 0.00 61.00 63.62 3dfm s PRO 51 Cb -0.32 -3.22 -0.06 0.00 0.04 0.00 0.00 34.50 30.95 3dfm s PRO 51 CO 0.49 -0.08 0.67 0.71 0.04 0.00 0.00 177.00 178.83 3dfm s TYR 52 N -0.25 3.47 0.78 0.56 2.02 -1.26 -5.10 117.35 117.58 3dfm s TYR 52 Ca 0.52 0.87 -0.11 0.00 -0.37 0.00 0.00 57.07 57.98 3dfm s TYR 52 Cb -0.34 -2.29 0.06 0.00 -0.40 0.00 0.00 41.96 38.99 3dfm s TYR 52 CO 0.39 0.02 1.08 -1.54 -1.57 0.00 0.00 175.55 173.93 3dfm s SER 53 N -3.13 4.55 0.26 2.29 1.04 -1.26 -4.84 113.70 112.60 3dfm s SER 53 Ca 0.48 1.59 -0.02 0.00 0.48 0.00 0.00 55.95 58.48 3dfm s SER 53 Cb -0.10 -2.34 0.49 0.00 0.10 0.00 0.00 66.02 64.16 3dfm s SER 53 CO 0.30 -1.97 1.78 -0.65 0.98 0.00 0.00 173.24 173.68 3dfm h PRO 54 N -1.09 0.68 -0.54 4.02 0.11 -1.96 -0.59 132.00 132.62 3dfm h PRO 54 Ca -0.45 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 3dfm h PRO 54 Cb 1.24 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3dfm h PRO 54 CO 0.55 0.45 0.04 0.00 -0.21 0.00 0.00 178.00 178.83 3dfm h ALA 55 N 1.52 1.04 -0.21 -0.75 0.00 -1.93 -0.78 119.26 118.16 3dfm h ALA 55 Ca 0.44 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3dfm h ALA 55 Cb 0.55 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3dfm h ALA 55 CO -0.32 0.60 -0.04 0.00 0.00 0.00 0.00 179.25 179.50 3dfm h ALA 56 N 1.19 0.29 -0.63 0.00 0.00 -1.72 -3.15 119.26 115.25 3dfm h ALA 56 Ca 0.16 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.90 3dfm h ALA 56 Cb 0.45 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 3dfm h ALA 56 CO 0.02 0.06 0.31 1.96 0.00 0.00 0.00 179.25 181.59 3dfm h GLN 57 N 0.13 0.55 -0.94 0.00 4.20 -0.90 0.14 115.11 118.30 3dfm h GLN 57 Ca 0.06 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3dfm h GLN 57 Cb 0.48 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.13 3dfm h GLN 57 CO 0.02 0.36 0.00 -2.13 -0.67 0.00 0.00 178.83 176.41 3dfm n ARG 58 N -4.87 0.02 0.00 1.46 0.63 -0.32 -2.07 116.66 111.51 3dfm n ARG 58 Ca 0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 3dfm n ARG 58 Cb 0.21 -1.23 0.00 0.00 0.45 0.00 0.00 32.46 31.89 3dfm n ARG 58 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3dfm n HIS 60 N 0.72 0.00 -0.12 -0.14 8.25 0.50 -1.46 115.22 122.97 3dfm n HIS 60 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 3dfm n HIS 60 Cb 0.01 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.09 3dfm n HIS 60 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3dfm h THR 61 N 0.00 1.28 0.00 1.59 2.02 -1.45 0.30 112.91 116.65 3dfm h THR 61 Ca 0.00 -1.40 -0.03 0.00 0.77 0.00 0.00 66.41 65.76 3dfm h THR 61 Cb 0.00 1.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 3dfm h THR 61 CO 0.00 0.46 -0.12 0.40 0.37 0.00 0.00 175.52 176.63 3dfm h ILE 62 N 0.61 0.81 -0.13 3.11 2.04 -1.54 -1.13 117.51 121.27 3dfm h ILE 62 Ca 0.07 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3dfm h ILE 62 Cb 0.81 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 3dfm h ILE 62 CO 0.07 0.12 0.00 0.79 0.00 0.00 0.00 178.15 179.13 3dfm n TRP 63 N -3.99 0.17 -2.17 1.37 8.01 -1.09 -4.78 117.44 114.97 3dfm n TRP 63 Ca -0.02 -0.08 -0.04 0.00 -1.31 0.00 0.00 57.50 56.04 3dfm n TRP 63 Cb 0.21 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.51 3dfm n TRP 63 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3dfm n GLY 64 N 0.97 0.27 3.41 6.99 0.00 -0.43 -4.42 105.19 111.98 3dfm n GLY 64 Ca 0.14 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 3dfm n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dfm s LEU 65 N -1.31 2.54 0.39 0.99 1.43 0.10 -5.00 118.68 117.82 3dfm s LEU 65 Ca 0.02 -0.99 -0.26 0.00 -1.03 0.00 0.00 54.13 51.86 3dfm s LEU 65 Cb -0.01 -0.93 -0.09 0.00 0.03 0.00 0.00 46.19 45.19 3dfm s LEU 65 CO 0.02 -0.03 1.26 0.00 0.23 0.00 0.00 176.35 177.83 3dfm s ALA 66 N -2.52 3.28 0.33 4.21 0.00 -1.26 -3.47 121.76 122.33 3dfm s ALA 66 Ca 0.25 1.16 0.11 0.00 0.00 0.00 0.00 51.96 53.48 3dfm s ALA 66 Cb -0.04 -3.45 0.97 0.00 0.00 0.00 0.00 23.12 20.59 3dfm s ALA 66 CO 0.11 -0.70 1.68 -1.35 0.00 0.00 0.00 175.76 175.50 3dfm h PRO 67 N 2.83 0.37 -0.44 0.00 0.11 -1.89 -0.44 132.00 132.53 3dfm h PRO 67 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3dfm h PRO 67 Cb 1.24 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3dfm h PRO 67 CO 0.63 0.24 0.00 -0.25 -0.21 0.00 0.00 178.00 178.42 3dfm n ASP 68 N -5.03 4.56 -4.70 -2.05 8.00 -1.26 -4.59 116.55 111.48 3dfm n ASP 68 Ca 0.29 -2.79 -0.32 0.00 0.71 0.00 0.00 54.79 52.67 3dfm n ASP 68 Cb 0.87 -0.57 0.13 0.00 -0.02 0.00 0.00 41.12 41.53 3dfm n ASP 68 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3dfm s ASP 69 N -1.29 3.61 -1.22 -2.24 1.01 -0.18 -4.88 116.67 111.48 3dfm s ASP 69 Ca 0.46 2.24 -0.20 0.00 0.71 0.00 0.00 52.55 55.76 3dfm s ASP 69 Cb 0.34 -2.57 0.04 0.00 1.01 0.00 0.00 42.92 41.74 3dfm s ASP 69 CO 0.15 -2.65 1.73 -0.62 0.21 0.00 0.00 175.17 173.99 3dfm s ASP 70 N -2.45 6.43 0.19 0.27 -1.08 -1.26 -4.80 116.67 113.97 3dfm s ASP 70 Ca 0.70 -2.08 -0.09 0.00 -0.52 0.00 0.00 52.55 50.56 3dfm s ASP 70 Cb -0.25 -2.58 0.11 0.00 -1.46 0.00 0.00 42.92 38.73 3dfm s ASP 70 CO 0.52 -1.59 1.70 0.00 0.52 0.00 0.00 175.17 176.32 3dfm h ALA 71 N 8.45 0.91 -0.49 3.66 0.00 -1.91 -2.63 119.26 127.27 3dfm h ALA 71 Ca 0.35 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3dfm h ALA 71 Cb 0.91 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3dfm h ALA 71 CO 1.41 0.66 0.14 0.28 0.00 0.00 0.00 179.25 181.74 3dfm h VAL 72 N 1.06 1.23 -0.41 0.00 2.07 -1.90 -1.11 116.25 117.19 3dfm h VAL 72 Ca 0.21 -0.79 0.06 0.00 0.82 0.00 0.00 66.70 67.00 3dfm h VAL 72 Cb 0.41 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 3dfm h VAL 72 CO 0.01 0.29 0.10 0.25 0.02 0.00 0.00 177.57 178.23 3dfm h LEU 73 N 0.66 0.04 -0.57 2.57 5.85 -1.91 0.22 115.31 122.17 3dfm h LEU 73 Ca 0.16 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.98 3dfm h LEU 73 Cb 0.29 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 3dfm h LEU 73 CO -0.00 0.06 0.33 1.88 -0.34 0.00 0.00 178.44 180.36 3dfm h TYR 74 N 0.23 0.61 -0.06 1.25 -1.99 -1.23 -1.57 116.97 114.20 3dfm h TYR 74 Ca 0.20 0.02 -0.15 0.00 2.00 0.00 0.00 58.73 60.80 3dfm h TYR 74 Cb 0.23 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 38.75 3dfm h TYR 74 CO -0.19 0.33 -0.61 0.00 -0.00 0.00 0.00 178.16 177.68 3dfm h ARG 75 N 0.64 0.22 -0.58 4.88 3.08 -0.79 -2.12 114.38 119.72 3dfm h ARG 75 Ca 0.24 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 3dfm h ARG 75 Cb 0.08 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 3dfm h ARG 75 CO -0.13 0.77 0.29 0.00 -1.07 0.00 0.00 179.97 179.83 3dfm h ARG 76 N 0.17 0.82 -0.61 0.04 3.08 -0.38 -0.97 114.38 116.52 3dfm h ARG 76 Ca -0.01 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 59.93 3dfm h ARG 76 Cb 1.12 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.99 3dfm h ARG 76 CO 0.09 0.66 0.40 0.87 -1.07 0.00 0.00 179.97 180.93 3dfm h LYS 77 N 0.78 0.81 -0.65 0.04 1.57 -1.10 -0.08 116.57 117.94 3dfm h LYS 77 Ca 0.20 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3dfm h LYS 77 Cb 0.10 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3dfm h LYS 77 CO -0.03 0.54 0.40 0.93 -0.57 0.00 0.00 179.45 180.73 3dfm h GLU 78 N 0.83 0.87 -0.59 3.15 5.08 -1.23 -1.96 114.58 120.73 3dfm h GLU 78 Ca 0.22 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 3dfm h GLU 78 Cb -0.09 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 28.94 3dfm h GLU 78 CO -0.05 0.61 0.28 0.22 -1.00 0.00 0.00 179.01 179.07 3dfm h ASP 79 N 0.88 0.77 -0.61 1.42 3.58 -0.62 -1.36 116.42 120.48 3dfm h ASP 79 Ca 0.23 -0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 3dfm h ASP 79 Cb -0.05 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.77 3dfm h ASP 79 CO -0.05 0.69 0.35 0.40 -2.88 0.00 0.00 179.24 177.75 3dfm h ILE 80 N 0.80 1.18 -0.46 2.25 2.04 -0.84 -1.15 117.51 121.34 3dfm h ILE 80 Ca 0.20 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3dfm h ILE 80 Cb 0.12 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 3dfm h ILE 80 CO -0.03 0.19 0.29 0.00 0.00 0.00 0.00 178.15 178.61 3dfm h ALA 81 N 1.17 0.58 -0.36 1.87 0.00 -1.05 0.16 119.26 121.64 3dfm h ALA 81 Ca 0.22 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3dfm h ALA 81 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3dfm h ALA 81 CO -0.04 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.26 3dfm h ALA 82 N 1.15 0.48 -0.21 0.00 0.00 -1.06 -0.69 119.26 118.94 3dfm h ALA 82 Ca 0.17 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 3dfm h ALA 82 Cb -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3dfm h ALA 82 CO -0.03 0.24 -0.62 -0.07 0.00 0.00 0.00 179.25 178.77 3dfm h LEU 83 N 0.44 0.82 -0.80 0.00 3.38 -1.08 -2.32 115.31 115.75 3dfm h LEU 83 Ca 0.10 -0.47 0.16 0.00 0.09 0.00 0.00 57.88 57.76 3dfm h LEU 83 Cb 0.46 -0.24 -0.10 0.00 0.09 0.00 0.00 40.66 40.87 3dfm h LEU 83 CO 0.02 1.24 0.34 0.44 0.09 0.00 0.00 178.44 180.57 3dfm h ASP 84 N 0.53 0.32 -0.57 -0.43 3.32 -0.65 -1.12 116.42 117.83 3dfm h ASP 84 Ca -0.01 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 3dfm h ASP 84 Cb 1.21 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.82 3dfm h ASP 84 CO 0.13 0.10 0.32 -0.74 -1.72 0.00 0.00 179.24 177.32 3dfm h HIS 85 N 0.46 0.80 -0.00 4.55 2.76 -0.59 -1.78 115.15 121.35 3dfm h HIS 85 Ca 0.46 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.61 3dfm h HIS 85 Cb 0.73 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.43 3dfm h HIS 85 CO -0.15 0.56 -0.09 1.28 -1.30 0.00 0.00 177.93 178.23 3dfm n LEU 86 N -4.39 0.25 -2.21 0.26 4.77 -0.81 -4.94 117.00 109.94 3dfm n LEU 86 Ca 0.05 0.18 -0.13 0.00 -0.03 0.00 0.00 56.01 56.08 3dfm n LEU 86 Cb 0.10 -0.27 0.04 0.00 -2.33 0.00 0.00 43.42 40.96 3dfm n LEU 86 CO 0.37 0.05 0.14 0.54 -1.33 0.00 0.00 177.39 177.16 3dfm n ARG 87 N -1.20 -4.41 -4.26 3.23 1.74 -0.51 -4.46 116.66 106.79 3dfm n ARG 87 Ca 0.12 0.46 -0.18 0.00 -0.77 0.00 0.00 57.85 57.48 3dfm n ARG 87 Cb 0.28 -4.37 -0.11 0.00 -1.02 0.00 0.00 32.46 27.24 3dfm n ARG 87 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3dfm s VAL 88 N -3.18 1.42 0.62 1.55 -7.23 -0.66 -4.91 120.40 108.01 3dfm s VAL 88 Ca 0.32 -1.78 -0.11 0.00 -1.81 0.00 0.00 61.98 58.60 3dfm s VAL 88 Cb -0.14 -1.61 -0.03 0.00 0.56 0.00 0.00 36.38 35.15 3dfm s VAL 88 CO 0.40 -0.42 1.03 0.00 -0.31 0.00 0.00 175.10 175.80 3dfm s ALA 89 N -2.20 3.09 0.17 1.32 0.00 -1.13 -4.03 121.76 118.99 3dfm s ALA 89 Ca 0.11 -0.14 0.08 0.00 0.00 0.00 0.00 51.96 52.01 3dfm s ALA 89 Cb -0.05 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 3dfm s ALA 89 CO 0.04 -0.73 -0.16 -3.38 0.00 0.00 0.00 175.76 171.52 3dfm s HIS 90 N -3.18 1.73 -0.13 0.00 -3.43 -1.26 -1.20 115.29 107.81 3dfm s HIS 90 Ca 0.55 -0.51 -0.05 0.00 -0.80 0.00 0.00 55.06 54.25 3dfm s HIS 90 Cb -0.11 -0.85 0.06 0.00 -1.43 0.00 0.00 32.58 30.26 3dfm s HIS 90 CO 0.53 0.32 0.27 0.50 -2.00 0.00 0.00 174.74 174.36 3dfm s ARG 91 N -3.06 0.17 -0.32 -0.38 3.52 -0.63 -4.87 118.95 113.37 3dfm s ARG 91 Ca 0.17 0.74 -0.13 0.00 -0.13 0.00 0.00 55.73 56.37 3dfm s ARG 91 Cb -0.04 -0.03 -0.02 0.00 -1.56 0.00 0.00 34.95 33.30 3dfm s ARG 91 CO 0.06 -0.26 0.28 -1.01 -0.81 0.00 0.00 175.30 173.56 3dfm s HIS 92 N 2.25 3.22 0.99 5.12 3.76 -1.26 -1.47 115.29 127.90 3dfm s HIS 92 Ca -0.01 -0.04 -0.12 0.00 -0.15 0.00 0.00 55.06 54.74 3dfm s HIS 92 Cb -0.12 -2.53 0.18 0.00 1.11 0.00 0.00 32.58 31.22 3dfm s HIS 92 CO -0.09 -0.34 1.09 0.20 -0.85 0.00 0.00 174.74 174.75 3dfm s GLY 93 N 1.73 1.58 0.00 -2.22 0.00 0.03 -4.94 107.32 103.49 3dfm s GLY 93 Ca 0.09 -0.20 0.26 0.00 0.00 0.00 0.00 44.72 44.86 3dfm s GLY 93 CO 0.11 0.38 1.49 -0.96 0.00 0.00 0.00 173.10 174.12 3dfm n ARG 94 N -4.18 0.07 -2.69 2.90 1.85 -1.26 -2.07 116.66 111.28 3dfm n ARG 94 Ca 0.06 -0.04 -0.41 0.00 -1.00 0.00 0.00 57.85 56.46 3dfm n ARG 94 Cb 0.56 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.42 3dfm n ARG 94 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3dfm s PHE 95 N -2.95 3.81 -0.04 2.89 0.08 -1.16 -4.13 117.98 116.47 3dfm s PHE 95 Ca 0.13 1.79 -0.29 0.00 0.12 0.00 0.00 56.93 58.68 3dfm s PHE 95 Cb 0.18 -3.08 -0.03 0.00 -0.57 0.00 0.00 43.02 39.52 3dfm s PHE 95 CO 0.66 0.10 0.93 -0.51 -0.10 0.00 0.00 175.22 176.30 3dfm s LEU 96 N -0.35 4.32 0.86 -0.37 1.43 -1.26 -0.35 118.68 122.96 3dfm s LEU 96 Ca 0.46 1.52 -0.12 0.00 -1.03 0.00 0.00 54.13 54.96 3dfm s LEU 96 Cb -0.25 -3.46 0.09 0.00 0.03 0.00 0.00 46.19 42.59 3dfm s LEU 96 CO 0.31 -0.29 1.00 -0.67 0.23 0.00 0.00 176.35 176.94 3dfm n ASP 97 N 4.21 0.14 -0.33 2.29 2.03 -1.26 -4.65 116.55 118.97 3dfm n ASP 97 Ca 0.05 0.50 0.23 0.00 0.52 0.00 0.00 54.79 56.09 3dfm n ASP 97 Cb 0.50 -1.43 0.47 0.00 -0.72 0.00 0.00 41.12 39.94 3dfm n ASP 97 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3dfm h SER 98 N -1.27 0.48 0.50 1.67 4.64 -1.95 -0.17 113.55 117.44 3dfm h SER 98 Ca -0.45 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3dfm h SER 98 Cb 1.29 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 3dfm h SER 98 CO 0.42 -0.15 0.00 2.30 -0.87 0.00 0.00 176.83 178.54 3dfm n ILE 99 N -5.07 0.44 0.36 0.95 -5.35 -1.26 -2.90 119.36 106.53 3dfm n ILE 99 Ca 0.31 0.11 0.05 0.00 -0.27 0.00 0.00 62.75 62.95 3dfm n ILE 99 Cb 0.97 -0.76 -0.06 0.00 -1.74 0.00 0.00 39.64 38.05 3dfm n ILE 99 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3dfm n TYR 100 N -1.36 0.00 -2.80 4.28 4.01 -0.08 -4.48 117.16 116.73 3dfm n TYR 100 Ca 0.08 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.46 3dfm n TYR 100 Cb 0.19 -0.06 -0.07 0.00 -0.31 0.00 0.00 39.34 39.10 3dfm n TYR 100 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3dfm s ARG 101 N -2.14 4.49 0.23 -0.72 0.52 -1.14 -4.98 118.95 115.20 3dfm s ARG 101 Ca 0.02 1.27 0.08 0.00 -0.52 0.00 0.00 55.73 56.58 3dfm s ARG 101 Cb 0.07 -2.66 -0.04 0.00 0.52 0.00 0.00 34.95 32.84 3dfm s ARG 101 CO 0.42 0.21 0.03 0.15 0.02 0.00 0.00 175.30 176.13 3dfm s LYS 102 N -2.31 2.43 0.49 3.54 1.02 -1.26 -1.05 119.74 122.60 3dfm s LYS 102 Ca 0.53 -1.23 -0.03 0.00 0.02 0.00 0.00 55.97 55.25 3dfm s LYS 102 Cb -0.16 -2.30 -0.02 0.00 -0.52 0.00 0.00 37.83 34.83 3dfm s LYS 102 CO 0.21 0.41 0.76 -0.51 -0.92 0.00 0.00 175.35 175.30 3dfm s LEU 103 N -3.39 3.58 0.41 3.17 1.43 0.19 -4.75 118.68 119.31 3dfm s LEU 103 Ca 0.30 0.66 0.21 0.00 -1.03 0.00 0.00 54.13 54.26 3dfm s LEU 103 Cb -0.08 -3.55 1.16 0.00 0.03 0.00 0.00 46.19 43.76 3dfm s LEU 103 CO 0.20 -0.70 1.76 -0.65 0.23 0.00 0.00 176.35 177.19 3dfm h PRO 104 N 0.23 0.33 0.00 1.29 0.11 -2.01 0.15 132.00 132.09 3dfm h PRO 104 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3dfm h PRO 104 Cb 1.23 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3dfm h PRO 104 CO 0.60 0.22 0.00 -0.40 -0.21 0.00 0.00 178.00 178.21 3dfm n ASP 105 N -4.60 0.00 0.00 -2.05 5.68 -1.26 -4.88 116.55 109.43 3dfm n ASP 105 Ca 0.26 -0.67 0.00 0.00 -0.50 0.00 0.00 54.79 53.88 3dfm n ASP 105 Cb 0.95 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.86 3dfm n ASP 105 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dfm n GLY 106 N 0.78 0.27 3.79 6.12 0.00 0.04 -5.07 105.19 111.13 3dfm n GLY 106 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3dfm n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dfm s ARG 107 N -0.92 3.38 0.43 1.61 0.52 -1.26 -4.72 118.95 118.00 3dfm s ARG 107 Ca 0.00 1.31 -0.26 0.00 -0.52 0.00 0.00 55.73 56.26 3dfm s ARG 107 Cb 0.00 -2.04 -0.08 0.00 0.52 0.00 0.00 34.95 33.35 3dfm s ARG 107 CO 0.00 -0.77 1.38 -1.58 0.02 0.00 0.00 175.30 174.35 3dfm s TRP 108 N -2.25 2.59 0.16 -0.53 0.52 -1.26 0.54 118.94 118.71 3dfm s TRP 108 Ca 0.66 1.31 -0.14 0.00 0.02 0.00 0.00 56.10 57.95 3dfm s TRP 108 Cb -0.17 -3.83 0.05 0.00 -1.15 0.00 0.00 33.47 28.36 3dfm s TRP 108 CO 0.32 -2.63 1.76 1.25 0.02 0.00 0.00 176.95 177.67 3dfm h LEU 109 N 2.46 0.65 -8.70 2.99 5.85 -1.35 -3.43 115.31 113.77 3dfm h LEU 109 Ca -0.50 -0.10 -0.65 0.00 0.84 0.00 0.00 57.88 57.47 3dfm h LEU 109 Cb 1.26 -0.16 -0.25 0.00 0.37 0.00 0.00 40.66 41.88 3dfm h LEU 109 CO 0.62 0.56 -0.72 0.42 -0.34 0.00 0.00 178.44 178.98 3dfm s THR 110 N -5.81 3.39 0.22 1.05 -4.23 -1.26 -0.60 115.64 108.41 3dfm s THR 110 Ca -0.13 -0.54 0.11 0.00 -1.18 0.00 0.00 61.69 59.95 3dfm s THR 110 Cb 0.12 -2.46 -0.05 0.00 1.34 0.00 0.00 72.50 71.46 3dfm s THR 110 CO 0.76 0.51 -0.21 0.00 -0.54 0.00 0.00 174.62 175.13 3dfm s ALA 111 N 0.38 2.54 -0.01 3.99 0.00 -0.82 -4.71 121.76 123.15 3dfm s ALA 111 Ca -0.08 -1.72 -0.08 0.00 0.00 0.00 0.00 51.96 50.08 3dfm s ALA 111 Cb -0.15 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 3dfm s ALA 111 CO 0.04 0.34 0.28 -1.58 0.00 0.00 0.00 175.76 174.84 3dfm s HIS 112 N -2.09 3.61 0.13 0.00 2.46 -1.26 -3.04 115.29 115.09 3dfm s HIS 112 Ca 0.24 0.66 0.03 0.00 0.47 0.00 0.00 55.06 56.45 3dfm s HIS 112 Cb -0.06 -2.05 -0.04 0.00 -0.13 0.00 0.00 32.58 30.30 3dfm s HIS 112 CO 0.11 0.63 0.19 0.08 -2.47 0.00 0.00 174.74 173.28 3dfm s VAL 113 N -1.23 4.93 -0.08 0.89 1.01 -1.26 -5.01 120.40 119.64 3dfm s VAL 113 Ca 0.26 -0.79 -0.26 0.00 0.00 0.00 0.00 61.98 61.19 3dfm s VAL 113 Cb -0.14 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 3dfm s VAL 113 CO 0.14 -0.03 0.83 -0.70 0.00 0.00 0.00 175.10 175.34 3dfm s GLU 114 N -2.95 4.42 0.00 2.72 2.56 -1.26 -4.16 118.70 120.03 3dfm s GLU 114 Ca 0.33 1.09 0.00 0.00 0.00 0.00 0.00 54.97 56.39 3dfm s GLU 114 Cb -0.11 -3.50 0.00 0.00 2.00 0.00 0.00 34.13 32.52 3dfm s GLU 114 CO 0.26 -0.11 0.00 0.41 -0.56 0.00 0.00 175.26 175.25 3dfm n GLY 115 N 3.16 0.71 3.14 -1.50 0.00 -1.26 -5.06 105.19 104.39 3dfm n GLY 115 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 3dfm n GLY 115 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dfm s ARG 116 N -0.43 2.44 0.05 1.61 1.81 -1.26 -5.07 118.95 118.11 3dfm s ARG 116 Ca 0.00 -0.69 -0.25 0.00 -1.72 0.00 0.00 55.73 53.07 3dfm s ARG 116 Cb 0.00 -1.91 -0.12 0.00 -0.45 0.00 0.00 34.95 32.47 3dfm s ARG 116 CO 0.00 0.14 1.38 -0.56 -0.68 0.00 0.00 175.30 175.58 3dfm h GLN 117 N 6.75 -0.72 -6.82 3.54 -0.00 -1.97 -3.44 115.11 112.45 3dfm h GLN 117 Ca -0.25 0.05 -0.52 0.00 -0.00 0.00 0.00 58.65 57.94 3dfm h GLN 117 Cb 1.21 0.16 0.04 0.00 -0.00 0.00 0.00 27.48 28.90 3dfm h GLN 117 CO 0.47 -0.48 0.57 0.21 -0.00 0.00 0.00 178.83 179.60 3dfm s LYS 118 N -4.95 4.48 0.23 0.06 2.47 -1.26 -5.01 119.74 115.76 3dfm s LYS 118 Ca -0.12 2.02 -0.30 0.00 -1.56 0.00 0.00 55.97 56.00 3dfm s LYS 118 Cb 0.02 -3.14 -0.09 0.00 -1.46 0.00 0.00 37.83 33.17 3dfm s LYS 118 CO 0.41 -0.03 0.96 -0.51 0.16 0.00 0.00 175.35 176.33 3dfm s LEU 119 N -1.37 4.62 0.03 5.43 1.43 -1.26 -4.89 118.68 122.67 3dfm s LEU 119 Ca 0.48 1.97 -0.29 0.00 -1.03 0.00 0.00 54.13 55.26 3dfm s LEU 119 Cb -0.36 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.21 3dfm s LEU 119 CO 0.46 0.10 0.95 0.00 0.23 0.00 0.00 176.35 178.09 3dfm s ALA 120 N -1.05 3.20 -0.13 4.21 0.00 -1.17 -4.97 121.76 121.86 3dfm s ALA 120 Ca 0.42 0.52 -0.17 0.00 0.00 0.00 0.00 51.96 52.73 3dfm s ALA 120 Cb -0.26 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 3dfm s ALA 120 CO 0.33 -0.16 0.44 0.08 0.00 0.00 0.00 175.76 176.44 3dfm s VAL 121 N 0.70 5.21 0.31 0.00 1.01 -1.26 -1.94 120.40 124.43 3dfm s VAL 121 Ca 0.49 0.86 -0.29 0.00 0.00 0.00 0.00 61.98 63.05 3dfm s VAL 121 Cb -0.21 -3.78 -0.10 0.00 0.00 0.00 0.00 36.38 32.29 3dfm s VAL 121 CO 0.28 0.34 1.19 0.20 0.00 0.00 0.00 175.10 177.11 3dfm s ASN 122 N 0.58 7.01 0.47 3.32 0.02 0.24 -5.00 114.94 121.58 3dfm s ASN 122 Ca 0.24 2.45 -0.24 0.00 -1.02 0.00 0.00 52.86 54.29 3dfm s ASN 122 Cb -0.15 -2.64 -0.08 0.00 0.02 0.00 0.00 41.25 38.41 3dfm s ASN 122 CO 0.09 -0.34 1.38 0.47 0.02 0.00 0.00 177.10 178.72 3dfm n ASP 123 N 0.95 3.01 -3.85 -1.22 8.00 -1.26 -4.98 116.55 117.20 3dfm n ASP 123 Ca -0.00 1.08 -0.09 0.00 0.71 0.00 0.00 54.79 56.48 3dfm n ASP 123 Cb 0.44 -1.58 -0.05 0.00 -0.02 0.00 0.00 41.12 39.91 3dfm n ASP 123 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 3dfm s HIS 124 N -1.22 0.13 0.48 1.24 -3.43 -1.26 -5.13 115.29 106.10 3dfm s HIS 124 Ca 0.64 -0.49 -0.22 0.00 -0.80 0.00 0.00 55.06 54.19 3dfm s HIS 124 Cb -0.45 0.18 -0.07 0.00 -1.43 0.00 0.00 32.58 30.80 3dfm s HIS 124 CO 0.56 -0.82 1.14 -1.54 -2.00 0.00 0.00 174.74 172.07 3dfm s SER 125 N -2.92 6.11 0.42 7.38 1.04 -1.26 -4.92 113.70 119.55 3dfm s SER 125 Ca 0.13 2.22 0.11 0.00 0.48 0.00 0.00 55.95 58.90 3dfm s SER 125 Cb 0.01 -2.59 0.95 0.00 0.10 0.00 0.00 66.02 64.49 3dfm s SER 125 CO -0.01 -0.95 1.99 -0.65 0.98 0.00 0.00 173.24 174.60 3dfm h PRO 126 N 1.82 0.47 -0.72 4.02 0.11 -2.01 -0.72 132.00 134.98 3dfm h PRO 126 Ca -0.49 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.64 3dfm h PRO 126 Cb 1.25 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 3dfm h PRO 126 CO 0.59 0.31 0.43 -0.44 -0.21 0.00 0.00 178.00 178.68 3dfm h ASP 127 N 0.49 0.67 0.13 -2.05 5.19 -1.99 0.36 116.42 119.22 3dfm h ASP 127 Ca 0.25 0.02 -0.10 0.00 -0.62 0.00 0.00 57.03 56.58 3dfm h ASP 127 Cb 0.37 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.74 3dfm h ASP 127 CO -0.07 0.44 -0.34 0.77 -3.12 0.00 0.00 179.24 176.92 3dfm h SER 128 N 0.81 0.31 -0.04 6.45 4.64 -1.50 -1.07 113.55 123.15 3dfm h SER 128 Ca 0.31 -0.12 -0.06 0.00 -0.47 0.00 0.00 61.79 61.45 3dfm h SER 128 Cb 0.12 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3dfm h SER 128 CO -0.15 0.64 -0.19 0.44 -0.87 0.00 0.00 176.83 176.70 3dfm h ASP 129 N 0.26 0.24 -0.68 4.97 3.32 -1.17 -2.05 116.42 121.32 3dfm h ASP 129 Ca 0.03 -0.65 0.14 0.00 0.02 0.00 0.00 57.03 56.57 3dfm h ASP 129 Cb 0.74 -0.07 -0.10 0.00 0.22 0.00 0.00 39.33 40.12 3dfm h ASP 129 CO 0.06 0.85 0.18 -0.74 -1.72 0.00 0.00 179.24 177.87 3dfm h HIS 130 N -0.35 0.29 -0.46 4.55 2.76 -0.83 -0.90 115.15 120.21 3dfm h HIS 130 Ca -0.01 0.04 -0.09 0.00 -2.20 0.00 0.00 60.37 58.11 3dfm h HIS 130 Cb 0.84 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.76 3dfm h HIS 130 CO 0.14 -0.03 -0.05 -0.44 -1.30 0.00 0.00 177.93 176.25 3dfm h ASP 131 N 0.30 0.85 0.12 3.26 3.32 -1.19 0.60 116.42 123.69 3dfm h ASP 131 Ca 0.37 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3dfm h ASP 131 Cb 0.59 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3dfm h ASP 131 CO -0.44 0.98 -0.11 0.25 -1.72 0.00 0.00 179.24 178.20 3dfm h LEU 132 N 0.70 -0.28 -0.63 1.55 5.85 -0.88 -1.49 115.31 120.13 3dfm h LEU 132 Ca 0.12 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3dfm h LEU 132 Cb 0.58 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 3dfm h LEU 132 CO 0.03 -0.17 0.40 0.58 -0.34 0.00 0.00 178.44 178.94 3dfm h VAL 133 N -0.25 1.17 -0.61 1.05 2.07 -1.08 -1.45 116.25 117.15 3dfm h VAL 133 Ca -0.00 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 67.24 3dfm h VAL 133 Cb 0.23 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 30.22 3dfm h VAL 133 CO -0.02 0.17 0.30 1.23 0.02 0.00 0.00 177.57 179.27 3dfm h GLY 134 N 0.85 0.88 0.88 2.17 0.00 -0.72 -0.04 103.07 107.09 3dfm h GLY 134 Ca 0.23 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 3dfm h GLY 134 CO -0.05 0.08 0.03 0.83 0.00 0.00 0.00 176.54 177.43 3dfm h GLU 135 N 0.54 0.50 -0.26 4.80 4.39 -0.91 -1.25 114.58 122.39 3dfm h GLU 135 Ca 0.29 -0.14 0.02 0.00 0.34 0.00 0.00 59.36 59.86 3dfm h GLU 135 Cb 0.25 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 3dfm h GLU 135 CO -0.22 0.62 0.12 0.28 -1.16 0.00 0.00 179.01 178.65 3dfm h VAL 136 N 0.31 0.98 -0.75 3.13 2.07 -1.11 -1.64 116.25 119.24 3dfm h VAL 136 Ca 0.09 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.62 3dfm h VAL 136 Cb 0.38 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 3dfm h VAL 136 CO 0.01 0.05 0.39 0.00 0.02 0.00 0.00 177.57 178.04 3dfm h ALA 137 N 1.14 1.06 -0.06 1.67 0.00 -0.94 -0.21 119.26 121.91 3dfm h ALA 137 Ca 0.11 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3dfm h ALA 137 Cb 0.04 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 3dfm h ALA 137 CO -0.08 -0.02 -0.21 -0.44 0.00 0.00 0.00 179.25 178.50 3dfm h ASP 138 N 0.64 -0.62 -0.86 0.00 5.19 -0.88 0.14 116.42 120.04 3dfm h ASP 138 Ca 0.38 0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.87 3dfm h ASP 138 Cb 0.41 0.27 -0.04 0.00 0.18 0.00 0.00 39.33 40.15 3dfm h ASP 138 CO -0.28 -0.26 0.47 0.44 -3.12 0.00 0.00 179.24 176.49 3dfm h ASP 139 N -0.30 1.07 -0.35 6.45 5.19 -0.79 -2.47 116.42 125.22 3dfm h ASP 139 Ca 0.08 -0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.36 3dfm h ASP 139 Cb 0.41 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 3dfm h ASP 139 CO -0.23 0.86 0.12 0.40 -3.12 0.00 0.00 179.24 177.27 3dfm h ILE 140 N 1.19 1.20 -0.54 0.35 2.04 -0.76 -1.92 117.51 119.07 3dfm h ILE 140 Ca 0.30 -0.64 0.09 0.00 1.00 0.00 0.00 64.86 65.61 3dfm h ILE 140 Cb 0.03 0.96 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 3dfm h ILE 140 CO -0.05 0.22 0.15 0.03 0.00 0.00 0.00 178.15 178.50 3dfm h ARG 141 N 0.41 0.29 -0.56 2.37 3.08 -0.73 0.58 114.38 119.83 3dfm h ARG 141 Ca 0.11 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 3dfm h ARG 141 Cb 0.22 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 3dfm h ARG 141 CO -0.01 0.20 0.27 0.77 -1.07 0.00 0.00 179.97 180.13 3dfm h SER 142 N 0.30 0.72 -0.75 7.04 0.02 -1.31 -1.08 113.55 118.50 3dfm h SER 142 Ca 0.27 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 3dfm h SER 142 Cb 0.35 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 3dfm h SER 142 CO -0.32 0.64 0.41 0.40 -1.14 0.00 0.00 176.83 176.83 3dfm h ILE 143 N 0.75 1.23 -0.55 3.27 2.04 -0.88 -0.27 117.51 123.10 3dfm h ILE 143 Ca 0.19 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 3dfm h ILE 143 Cb 0.11 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 3dfm h ILE 143 CO -0.03 0.25 0.15 0.40 0.00 0.00 0.00 178.15 178.93 3dfm h ILE 144 N 1.06 1.24 -0.60 -0.67 2.04 -0.45 0.22 117.51 120.35 3dfm h ILE 144 Ca 0.27 -0.84 -0.05 0.00 1.00 0.00 0.00 64.86 65.24 3dfm h ILE 144 Cb 0.03 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 3dfm h ILE 144 CO -0.04 0.31 0.19 0.44 0.00 0.00 0.00 178.15 179.04 3dfm h ASP 145 N 0.77 0.84 0.07 1.72 3.32 -0.72 0.71 116.42 123.13 3dfm h ASP 145 Ca 0.17 -0.14 -0.20 0.00 0.02 0.00 0.00 57.03 56.89 3dfm h ASP 145 Cb 0.31 -0.22 0.02 0.00 0.22 0.00 0.00 39.33 39.67 3dfm h ASP 145 CO -0.00 0.79 -0.82 -0.08 -1.72 0.00 0.00 179.24 177.41 3dfm h GLU 146 N 0.88 0.43 0.00 3.56 4.81 -0.68 -3.37 114.58 120.20 3dfm h GLU 146 Ca 0.20 -0.56 -0.22 0.00 -0.13 0.00 0.00 59.36 58.65 3dfm h GLU 146 Cb 0.25 0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 3dfm h GLU 146 CO -0.01 1.22 -1.79 0.34 -0.73 0.00 0.00 179.01 178.03 3dfm n PHE 147 N -4.09 0.60 -3.24 0.92 7.35 0.73 -5.03 117.46 114.69 3dfm n PHE 147 Ca -0.12 0.20 -0.15 0.00 -0.76 0.00 0.00 57.45 56.62 3dfm n PHE 147 Cb 0.79 -1.00 0.07 0.00 0.35 0.00 0.00 39.48 39.70 3dfm n PHE 147 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 3dfm n ASP 148 N -2.79 -4.56 -4.77 -2.13 2.03 0.24 -4.95 116.55 99.62 3dfm n ASP 148 Ca -0.16 -0.64 -0.36 0.00 0.52 0.00 0.00 54.79 54.15 3dfm n ASP 148 Cb 0.92 -4.94 0.01 0.00 -0.72 0.00 0.00 41.12 36.39 3dfm n ASP 148 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3dfm s PRO 149 N -4.73 3.40 0.11 -0.67 0.04 -1.26 -4.83 135.00 127.06 3dfm s PRO 149 Ca 0.25 1.76 0.18 0.00 0.04 0.00 0.00 61.00 63.24 3dfm s PRO 149 Cb -0.03 -2.15 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 3dfm s PRO 149 CO 0.70 -0.85 0.91 1.79 0.04 0.00 0.00 177.00 179.59 3dfm h THR 150 N 1.38 0.35 -2.80 1.26 1.35 -0.92 -3.47 112.91 110.07 3dfm h THR 150 Ca -0.50 -1.69 -0.13 0.00 -0.55 0.00 0.00 66.41 63.53 3dfm h THR 150 Cb 1.27 1.88 -0.25 0.00 -1.73 0.00 0.00 68.15 69.32 3dfm h THR 150 CO 0.58 0.20 -0.30 -0.22 -0.25 0.00 0.00 175.52 175.53 3dfm s LEU 151 N -5.68 0.41 -0.09 3.87 2.96 -1.04 -4.35 118.68 114.76 3dfm s LEU 151 Ca -0.02 0.77 -0.01 0.00 -0.22 0.00 0.00 54.13 54.65 3dfm s LEU 151 Cb 0.09 1.26 -0.03 0.00 0.50 0.00 0.00 46.19 48.01 3dfm s LEU 151 CO 0.80 -0.15 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.96 3dfm s VAL 152 N 0.54 3.94 -0.03 1.68 1.01 -0.65 -1.35 120.40 125.54 3dfm s VAL 152 Ca -0.03 -0.38 0.06 0.00 0.00 0.00 0.00 61.98 61.63 3dfm s VAL 152 Cb -0.04 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 3dfm s VAL 152 CO -0.03 0.58 -0.20 -0.69 0.00 0.00 0.00 175.10 174.75 3dfm s VAL 153 N -0.57 1.63 0.09 2.92 1.01 -0.31 -1.27 120.40 123.89 3dfm s VAL 153 Ca 0.09 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.21 3dfm s VAL 153 Cb -0.12 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.89 3dfm s VAL 153 CO 0.02 0.46 0.11 1.07 0.00 0.00 0.00 175.10 176.77 3dfm n THR 154 N 2.80 0.00 -3.10 3.92 5.66 -0.65 -0.56 114.28 122.36 3dfm n THR 154 Ca -0.16 -0.46 -0.36 0.00 -3.05 0.00 0.00 64.05 60.02 3dfm n THR 154 Cb 0.53 0.28 -0.06 0.00 -1.55 0.00 0.00 70.33 69.52 3dfm n THR 154 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3dfm h ALA 156 N 3.32 1.00 -2.45 0.00 0.00 -1.64 -3.42 119.26 116.07 3dfm h ALA 156 Ca -0.48 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.13 3dfm h ALA 156 Cb 1.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3dfm h ALA 156 CO 0.65 0.00 -0.40 0.00 0.00 0.00 0.00 179.25 179.50 3dfm n ALA 157 N -1.94 -0.51 -1.69 0.00 0.00 -1.26 -4.92 120.51 110.19 3dfm n ALA 157 Ca 0.03 0.14 -0.44 0.00 0.00 0.00 0.00 53.44 53.17 3dfm n ALA 157 Cb 0.35 -2.02 -0.04 0.00 0.00 0.00 0.00 19.45 17.74 3dfm n ALA 157 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3dfm n ILE 158 N -4.05 0.08 0.00 0.00 5.41 -1.26 -0.77 119.36 118.77 3dfm n ILE 158 Ca -0.16 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.58 3dfm n ILE 158 Cb 0.63 -1.79 0.00 0.00 -0.71 0.00 0.00 39.64 37.77 3dfm n ILE 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dfm n GLY 159 N 3.77 1.25 2.44 7.39 0.00 -1.26 -4.67 105.19 114.11 3dfm n GLY 159 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 3dfm n GLY 159 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dfm n GLU 160 N -1.45 -2.00 -1.76 1.61 1.02 0.05 -4.95 120.64 113.16 3dfm n GLU 160 Ca 0.00 0.83 -0.42 0.00 -0.02 0.00 0.00 57.16 57.55 3dfm n GLU 160 Cb 0.00 -5.47 -0.03 0.00 -0.02 0.00 0.00 31.44 25.92 3dfm n GLU 160 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3dfm s HIS 161 N -2.86 2.75 0.33 -0.32 2.46 -1.26 -4.89 115.29 111.50 3dfm s HIS 161 Ca 0.01 0.30 0.02 0.00 0.47 0.00 0.00 55.06 55.86 3dfm s HIS 161 Cb -0.00 -4.12 0.59 0.00 -0.13 0.00 0.00 32.58 28.92 3dfm s HIS 161 CO 0.01 -4.31 1.97 -1.35 -2.47 0.00 0.00 174.74 168.59 3dfm h PRO 162 N 7.22 0.90 0.00 2.88 0.11 -1.98 -0.69 132.00 140.46 3dfm h PRO 162 Ca -0.44 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 3dfm h PRO 162 Cb 1.20 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 3dfm h PRO 162 CO 0.95 0.60 -0.44 -0.44 -0.21 0.00 0.00 178.00 178.46 3dfm h ASP 163 N 0.93 0.00 -0.27 -2.05 3.32 -1.99 -0.71 116.42 115.66 3dfm h ASP 163 Ca 0.30 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.19 3dfm h ASP 163 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3dfm h ASP 163 CO -0.09 0.44 -0.47 0.45 -1.72 0.00 0.00 179.24 177.85 3dfm h HIS 164 N 0.00 0.99 -0.56 4.55 3.86 -1.67 -2.43 115.15 119.89 3dfm h HIS 164 Ca -0.00 -0.35 -0.09 0.00 -1.16 0.00 0.00 60.37 58.77 3dfm h HIS 164 Cb 0.87 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 29.13 3dfm h HIS 164 CO 0.00 1.15 -0.01 0.93 0.86 0.00 0.00 177.93 180.86 3dfm h GLU 165 N 0.54 0.99 -0.65 2.45 5.08 -0.98 -1.30 114.58 120.72 3dfm h GLU 165 Ca 0.02 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.02 3dfm h GLU 165 Cb 1.07 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 3dfm h GLU 165 CO 0.11 1.00 0.28 0.00 -1.00 0.00 0.00 179.01 179.39 3dfm h ALA 166 N 0.96 0.84 0.08 3.43 0.00 -1.16 -0.09 119.26 123.32 3dfm h ALA 166 Ca 0.16 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dfm h ALA 166 Cb 0.56 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3dfm h ALA 166 CO 0.03 0.44 -0.04 1.15 0.00 0.00 0.00 179.25 180.83 3dfm h THR 167 N 0.91 1.10 0.13 0.00 2.02 -1.34 -2.26 112.91 113.48 3dfm h THR 167 Ca 0.22 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.75 3dfm h THR 167 Cb 0.18 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 3dfm h THR 167 CO -0.02 0.16 -0.11 -0.09 0.37 0.00 0.00 175.52 175.83 3dfm h ARG 168 N -0.40 -0.25 -0.52 6.66 2.43 -1.15 -1.35 114.38 119.80 3dfm h ARG 168 Ca -0.01 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3dfm h ARG 168 Cb 0.34 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 3dfm h ARG 168 CO 0.02 -0.17 0.33 -0.44 -1.51 0.00 0.00 179.97 178.20 3dfm h ASP 169 N -0.26 0.54 -0.68 -3.80 3.32 -1.04 -0.55 116.42 113.95 3dfm h ASP 169 Ca -0.00 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 3dfm h ASP 169 Cb 0.24 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 3dfm h ASP 169 CO -0.02 0.38 0.33 0.00 -1.72 0.00 0.00 179.24 178.22 3dfm h ALA 170 N 1.22 0.87 -0.93 3.45 0.00 -1.32 -1.75 119.26 120.80 3dfm h ALA 170 Ca 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3dfm h ALA 170 Cb -0.01 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 3dfm h ALA 170 CO -0.08 0.43 0.59 0.00 0.00 0.00 0.00 179.25 180.19 3dfm h ALA 171 N 1.16 1.19 -0.34 0.00 0.00 -0.91 -0.88 119.26 119.48 3dfm h ALA 171 Ca 0.23 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3dfm h ALA 171 Cb 0.11 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3dfm h ALA 171 CO -0.03 0.62 0.07 -0.07 0.00 0.00 0.00 179.25 179.83 3dfm h LEU 172 N 1.28 0.52 -0.13 0.00 3.38 -0.74 -0.23 115.31 119.39 3dfm h LEU 172 Ca 0.34 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3dfm h LEU 172 Cb -0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3dfm h LEU 172 CO -0.07 0.64 0.05 -0.26 0.09 0.00 0.00 178.44 178.89 3dfm h PHE 173 N 0.39 0.20 -0.19 1.13 0.04 -1.24 -1.83 116.94 115.43 3dfm h PHE 173 Ca 0.10 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 3dfm h PHE 173 Cb 0.33 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 3dfm h PHE 173 CO 0.02 0.29 0.10 0.00 -0.60 0.00 0.00 178.31 178.12 3dfm h ALA 174 N 0.89 0.25 -0.29 2.45 0.00 -1.13 -2.20 119.26 119.23 3dfm h ALA 174 Ca 0.04 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3dfm h ALA 174 Cb 0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3dfm h ALA 174 CO -0.00 -0.20 -0.08 1.79 0.00 0.00 0.00 179.25 180.76 3dfm h THR 175 N 0.19 1.21 -0.01 0.00 1.35 -1.07 -1.74 112.91 112.84 3dfm h THR 175 Ca 0.07 -0.90 -0.00 0.00 -0.55 0.00 0.00 66.41 65.03 3dfm h THR 175 Cb 0.10 1.08 -0.00 0.00 -1.73 0.00 0.00 68.15 67.60 3dfm h THR 175 CO -0.01 0.30 0.00 -0.74 -0.25 0.00 0.00 175.52 174.82 3dfm h HIS 176 N 0.45 0.02 -0.25 4.73 6.17 -1.19 -0.43 115.15 124.64 3dfm h HIS 176 Ca 0.09 -0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.16 3dfm h HIS 176 Cb 0.41 -0.01 -0.01 0.00 2.52 0.00 0.00 27.41 30.32 3dfm h HIS 176 CO 0.01 0.23 0.11 0.93 0.71 0.00 0.00 177.93 179.93 3dfm h GLU 177 N -0.19 0.35 -0.15 5.26 5.08 -1.26 -2.73 114.58 120.93 3dfm h GLU 177 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3dfm h GLU 177 Cb 0.22 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3dfm h GLU 177 CO -0.00 0.28 0.00 1.63 -1.00 0.00 0.00 179.01 179.92 3dfm n LYS 178 N -4.44 2.25 -3.85 2.33 4.76 -0.67 -4.98 118.16 113.56 3dfm n LYS 178 Ca 0.01 -1.84 -0.27 0.00 -2.87 0.00 0.00 58.31 53.33 3dfm n LYS 178 Cb 0.12 -1.47 0.03 0.00 -1.84 0.00 0.00 35.03 31.86 3dfm n LYS 178 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3dfm n ASN 179 N 1.16 -3.36 -4.55 4.39 3.02 -0.30 -5.01 115.26 110.61 3dfm n ASN 179 Ca 0.16 -0.81 -0.34 0.00 -0.03 0.00 0.00 54.58 53.57 3dfm n ASN 179 Cb 0.55 -3.89 -0.11 0.00 -0.61 0.00 0.00 39.78 35.72 3dfm n ASN 179 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3dfm s VAL 180 N -3.46 4.03 0.40 2.41 0.11 -0.45 -5.05 120.40 118.40 3dfm s VAL 180 Ca 0.41 -0.32 -0.27 0.00 -2.93 0.00 0.00 61.98 58.87 3dfm s VAL 180 Cb -0.21 -2.74 -0.10 0.00 -1.53 0.00 0.00 36.38 31.80 3dfm s VAL 180 CO 0.83 0.52 1.39 -2.65 -3.33 0.00 0.00 175.10 171.86 3dfm n PRO 181 N 3.12 2.28 -4.38 1.54 -0.02 -1.26 -4.63 135.00 131.66 3dfm n PRO 181 Ca -0.18 0.81 -0.19 0.00 -2.02 0.00 0.00 63.50 61.92 3dfm n PRO 181 Cb 0.53 -2.53 -0.14 0.00 -0.02 0.00 0.00 33.50 31.33 3dfm n PRO 181 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3dfm s VAL 182 N -1.16 0.81 0.12 -1.45 0.11 -1.26 -1.63 120.40 115.95 3dfm s VAL 182 Ca 0.58 -0.55 0.07 0.00 -2.93 0.00 0.00 61.98 59.15 3dfm s VAL 182 Cb -0.49 -0.70 -0.04 0.00 -1.53 0.00 0.00 36.38 33.62 3dfm s VAL 182 CO 0.60 0.15 -0.18 -0.13 -3.33 0.00 0.00 175.10 172.21 3dfm s ARG 183 N -0.46 1.11 -0.09 1.54 0.52 -0.40 -1.75 118.95 119.42 3dfm s ARG 183 Ca 0.03 -1.22 0.01 0.00 -0.52 0.00 0.00 55.73 54.02 3dfm s ARG 183 Cb -0.05 -1.19 -0.02 0.00 0.52 0.00 0.00 34.95 34.21 3dfm s ARG 183 CO -0.00 0.26 -0.12 -0.51 0.02 0.00 0.00 175.30 174.94 3dfm s LEU 184 N -2.22 2.80 0.41 2.53 1.43 0.72 -1.63 118.68 122.71 3dfm s LEU 184 Ca 0.09 -0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 52.87 3dfm s LEU 184 Cb -0.08 -1.61 -0.06 0.00 0.03 0.00 0.00 46.19 44.48 3dfm s LEU 184 CO 0.04 0.26 0.75 -1.66 0.23 0.00 0.00 176.35 175.97 3dfm s TRP 185 N -0.20 3.49 -0.24 0.29 -2.14 0.38 -0.89 118.94 119.63 3dfm s TRP 185 Ca 0.01 0.96 -0.29 0.00 2.66 0.00 0.00 56.10 59.43 3dfm s TRP 185 Cb -0.13 -2.38 0.00 0.00 -3.10 0.00 0.00 33.47 27.87 3dfm s TRP 185 CO 0.03 -0.11 1.13 -2.00 -2.66 0.00 0.00 176.95 173.34 3dfm s GLU 186 N -3.99 4.17 0.08 3.25 2.12 -0.34 -1.74 118.70 122.24 3dfm s GLU 186 Ca 0.50 1.35 -0.31 0.00 0.36 0.00 0.00 54.97 56.87 3dfm s GLU 186 Cb -0.10 -3.72 -0.09 0.00 0.26 0.00 0.00 34.13 30.47 3dfm s GLU 186 CO 0.34 -0.77 1.83 -0.51 -0.54 0.00 0.00 175.26 175.61 3dfm s ASP 187 N 1.68 6.47 0.09 -1.70 1.01 -1.26 -4.76 116.67 118.19 3dfm s ASP 187 Ca 0.48 2.66 0.10 0.00 0.71 0.00 0.00 52.55 56.50 3dfm s ASP 187 Cb -0.16 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.18 3dfm s ASP 187 CO 0.12 -1.00 -0.26 -0.76 0.21 0.00 0.00 175.17 173.49 3dfm s LEU 188 N 3.26 2.24 0.00 1.23 1.43 -1.26 -0.69 118.68 124.88 3dfm s LEU 188 Ca 0.81 -0.66 0.18 0.00 -1.03 0.00 0.00 54.13 53.44 3dfm s LEU 188 Cb -0.43 -1.19 1.08 0.00 0.03 0.00 0.00 46.19 45.67 3dfm s LEU 188 CO 0.37 0.20 1.70 -0.81 0.23 0.00 0.00 176.35 178.03 3dfm n PRO 189 N 1.36 1.00 -0.31 1.29 -0.04 -1.26 -4.48 135.00 132.57 3dfm n PRO 189 Ca -0.18 -0.01 0.10 0.00 -0.04 0.00 0.00 63.50 63.38 3dfm n PRO 189 Cb 0.53 -1.28 0.23 0.00 -0.04 0.00 0.00 33.50 32.93 3dfm n PRO 189 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3dfm h TYR 190 N 0.01 -0.03 0.00 0.54 0.05 -1.88 -0.76 116.97 114.91 3dfm h TYR 190 Ca 0.00 0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.84 3dfm h TYR 190 Cb 0.00 0.15 0.00 0.00 1.01 0.00 0.00 36.73 37.90 3dfm h TYR 190 CO 0.00 -0.33 0.00 0.00 -1.05 0.00 0.00 178.16 176.78 3dfm n ALA 191 N -3.04 1.43 0.20 3.88 0.00 0.13 -0.54 120.51 122.58 3dfm n ALA 191 Ca 0.19 0.10 0.10 0.00 0.00 0.00 0.00 53.44 53.83 3dfm n ALA 191 Cb 0.63 -1.33 0.16 0.00 0.00 0.00 0.00 19.45 18.91 3dfm n ALA 191 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dfm h VAL 192 N 0.00 0.22 0.00 0.00 2.07 -1.41 -3.36 116.25 113.77 3dfm h VAL 192 Ca 0.00 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.24 3dfm h VAL 192 Cb 0.22 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 3dfm h VAL 192 CO 0.00 0.12 -0.64 0.49 0.02 0.00 0.00 177.57 177.56 3dfm n PHE 193 N -3.13 0.00 -4.09 1.57 3.72 0.30 -5.05 117.46 110.78 3dfm n PHE 193 Ca 0.03 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.29 3dfm n PHE 193 Cb 0.57 -0.05 -0.12 0.00 -0.94 0.00 0.00 39.48 38.94 3dfm n PHE 193 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3dfm s LYS 194 N -1.86 0.55 0.12 -1.08 -0.14 -0.24 -5.11 119.74 111.97 3dfm s LYS 194 Ca 0.01 -0.72 -0.28 0.00 -1.36 0.00 0.00 55.97 53.62 3dfm s LYS 194 Cb 0.04 -0.36 -0.07 0.00 -1.68 0.00 0.00 37.83 35.75 3dfm s LYS 194 CO 0.24 0.07 1.61 0.66 -0.76 0.00 0.00 175.35 177.17 3dfm h SER 195 N 4.64 -0.98 0.00 2.83 4.64 -1.88 -3.41 113.55 119.39 3dfm h SER 195 Ca -0.35 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3dfm h SER 195 Cb 1.20 0.38 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 3dfm h SER 195 CO 0.42 -0.41 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3dfm n GLY 196 N -1.42 1.39 3.73 -0.77 0.00 -1.26 -5.09 105.19 101.77 3dfm n GLY 196 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 3dfm n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfm s ALA 197 N -1.13 3.27 0.11 4.61 0.00 -1.26 -4.94 121.76 122.43 3dfm s ALA 197 Ca 0.00 0.47 0.05 0.00 0.00 0.00 0.00 51.96 52.47 3dfm s ALA 197 Cb 0.00 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 3dfm s ALA 197 CO 0.00 -0.03 -0.11 0.14 0.00 0.00 0.00 175.76 175.76 3dfm s VAL 198 N 0.14 1.10 -0.30 0.00 -7.23 -1.26 -4.91 120.40 107.94 3dfm s VAL 198 Ca 0.45 -1.71 -0.04 0.00 -1.81 0.00 0.00 61.98 58.86 3dfm s VAL 198 Cb -0.22 -1.47 0.03 0.00 0.56 0.00 0.00 36.38 35.28 3dfm s VAL 198 CO 0.27 -0.53 0.03 -0.70 -0.31 0.00 0.00 175.10 173.86 3dfm s GLU 199 N -2.86 2.73 0.51 4.82 2.56 -1.26 -5.08 118.70 120.12 3dfm s GLU 199 Ca 0.08 -1.08 -0.04 0.00 0.00 0.00 0.00 54.97 53.93 3dfm s GLU 199 Cb -0.03 -3.26 -0.02 0.00 2.00 0.00 0.00 34.13 32.83 3dfm s GLU 199 CO 0.01 -0.54 0.80 -0.51 -0.56 0.00 0.00 175.26 174.46 3dfm s LEU 200 N 1.37 3.52 0.72 2.70 1.43 -1.26 -5.05 118.68 122.11 3dfm s LEU 200 Ca -0.01 0.74 -0.16 0.00 -1.03 0.00 0.00 54.13 53.67 3dfm s LEU 200 Cb -0.18 -3.63 0.03 0.00 0.03 0.00 0.00 46.19 42.43 3dfm s LEU 200 CO 0.00 -0.75 1.23 -2.65 0.23 0.00 0.00 176.35 174.42 3dfm n PRO 201 N -2.32 0.67 -1.65 1.29 -0.02 -1.26 -4.87 135.00 126.84 3dfm n PRO 201 Ca 0.02 0.30 -0.47 0.00 -2.02 0.00 0.00 63.50 61.32 3dfm n PRO 201 Cb 0.56 -2.47 -0.04 0.00 -0.02 0.00 0.00 33.50 31.53 3dfm n PRO 201 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3dfm n GLN 202 N -2.49 1.90 0.00 -0.52 -0.06 -1.26 -2.28 117.38 112.66 3dfm n GLN 202 Ca 0.15 0.68 0.00 0.00 -2.00 0.00 0.00 57.00 55.83 3dfm n GLN 202 Cb 0.49 -2.39 0.00 0.00 -4.06 0.00 0.00 30.24 24.28 3dfm n GLN 202 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3dfm n GLY 203 N 2.89 1.05 3.52 1.69 0.00 -1.26 -5.07 105.19 108.01 3dfm n GLY 203 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3dfm n GLY 203 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dfm s PHE 204 N -2.24 2.64 0.19 1.61 0.08 -0.97 -0.73 117.98 118.56 3dfm s PHE 204 Ca 0.00 -0.21 -0.12 0.00 0.12 0.00 0.00 56.93 56.72 3dfm s PHE 204 Cb 0.00 -1.44 0.00 0.00 -0.57 0.00 0.00 43.02 41.02 3dfm s PHE 204 CO 0.00 0.35 0.39 -0.98 -0.10 0.00 0.00 175.22 174.88 3dfm s ARG 205 N -1.86 1.30 -0.03 0.44 1.70 0.04 -4.73 118.95 115.81 3dfm s ARG 205 Ca 0.18 -1.11 -0.16 0.00 -0.47 0.00 0.00 55.73 54.17 3dfm s ARG 205 Cb -0.11 0.44 -0.05 0.00 -0.57 0.00 0.00 34.95 34.65 3dfm s ARG 205 CO 0.09 -0.51 0.43 -0.51 -1.08 0.00 0.00 175.30 173.72 3dfm s LEU 206 N -2.95 4.43 0.00 -1.89 1.43 -1.26 -1.32 118.68 117.11 3dfm s LEU 206 Ca 0.16 0.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.20 3dfm s LEU 206 Cb 0.01 -2.62 0.00 0.00 0.03 0.00 0.00 46.19 43.61 3dfm s LEU 206 CO 0.01 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.44 3dfm n GLY 207 N 2.20 -0.71 3.77 -3.19 0.00 0.07 -4.92 105.19 102.39 3dfm n GLY 207 Ca -0.12 -1.73 -0.40 0.00 0.00 0.00 0.00 46.02 43.77 3dfm n GLY 207 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dfm s SER 208 N -1.00 6.87 0.78 1.61 0.01 -1.26 -4.62 113.70 116.09 3dfm s SER 208 Ca 0.00 2.44 -0.12 0.00 1.31 0.00 0.00 55.95 59.58 3dfm s SER 208 Cb 0.00 -2.63 0.07 0.00 0.21 0.00 0.00 66.02 63.67 3dfm s SER 208 CO 0.00 -0.44 1.14 0.00 0.41 0.00 0.00 173.24 174.35 3dfm s ALA 209 N -1.23 2.03 -0.06 1.44 0.00 -1.26 -4.37 121.76 118.30 3dfm s ALA 209 Ca 0.50 0.56 -0.00 0.00 0.00 0.00 0.00 51.96 53.02 3dfm s ALA 209 Cb -0.34 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.42 3dfm s ALA 209 CO 0.44 -2.00 -0.03 0.34 0.00 0.00 0.00 175.76 174.51 3dfm s ASP 210 N -2.70 1.33 -0.34 0.00 2.15 0.34 -5.00 116.67 112.45 3dfm s ASP 210 Ca 0.67 -0.13 -0.12 0.00 0.43 0.00 0.00 52.55 53.40 3dfm s ASP 210 Cb -0.22 -0.49 0.00 0.00 -0.30 0.00 0.00 42.92 41.91 3dfm s ASP 210 CO 0.51 -0.11 0.21 -0.69 -0.17 0.00 0.00 175.17 174.92 3dfm s VAL 211 N 1.40 4.88 0.94 1.11 1.01 -1.26 -0.79 120.40 127.69 3dfm s VAL 211 Ca -0.03 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 3dfm s VAL 211 Cb -0.13 -3.57 0.16 0.00 0.00 0.00 0.00 36.38 32.83 3dfm s VAL 211 CO -0.03 -0.06 1.09 -0.94 0.00 0.00 0.00 175.10 175.16 3dfm s SER 212 N 1.64 2.95 -0.27 3.32 1.04 -0.23 -4.84 113.70 117.31 3dfm s SER 212 Ca 0.05 1.70 0.02 0.00 0.48 0.00 0.00 55.95 58.20 3dfm s SER 212 Cb -0.18 -2.33 0.06 0.00 0.10 0.00 0.00 66.02 63.67 3dfm s SER 212 CO 0.08 -3.00 -0.09 -0.44 0.98 0.00 0.00 173.24 170.77 3dfm s SER 213 N -3.05 4.54 0.10 7.02 0.01 -1.26 -4.07 113.70 116.98 3dfm s SER 213 Ca 0.65 -1.40 0.05 0.00 1.31 0.00 0.00 55.95 56.57 3dfm s SER 213 Cb -0.20 -1.58 -0.04 0.00 0.21 0.00 0.00 66.02 64.41 3dfm s SER 213 CO 0.59 -0.21 -0.02 0.68 0.41 0.00 0.00 173.24 174.69 3dfm s VAL 214 N 1.12 3.87 0.53 3.43 -7.23 -0.73 -5.02 120.40 116.38 3dfm s VAL 214 Ca -0.08 -1.08 -0.22 0.00 -1.81 0.00 0.00 61.98 58.78 3dfm s VAL 214 Cb -0.20 -2.85 -0.06 0.00 0.56 0.00 0.00 36.38 33.83 3dfm s VAL 214 CO -0.04 0.09 1.37 -0.54 -0.31 0.00 0.00 175.10 175.67 3dfm s LYS 215 N -2.36 3.26 0.39 4.82 -0.14 -1.26 -4.37 119.74 120.08 3dfm s LYS 215 Ca 0.25 2.26 0.14 0.00 -1.36 0.00 0.00 55.97 57.26 3dfm s LYS 215 Cb -0.11 -2.34 0.96 0.00 -1.68 0.00 0.00 37.83 34.66 3dfm s LYS 215 CO 0.18 -1.10 1.85 -1.00 -0.76 0.00 0.00 175.35 174.51 3dfm h PRO 216 N 1.64 0.52 -1.84 -1.68 0.13 -1.99 -2.89 132.00 125.89 3dfm h PRO 216 Ca -0.51 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 3dfm h PRO 216 Cb 1.29 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3dfm h PRO 216 CO 0.58 0.34 0.00 0.39 -0.23 0.00 0.00 178.00 179.08 3dfm n GLU 217 N -4.56 0.18 0.00 0.86 4.71 -1.26 -1.68 120.64 118.89 3dfm n GLU 217 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.34 3dfm n GLU 217 Cb 0.61 -1.41 0.00 0.00 -1.01 0.00 0.00 31.44 29.63 3dfm n GLU 217 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 3dfm n ARG 219 N 1.00 0.00 -0.14 3.49 0.63 -1.09 -1.53 116.66 119.02 3dfm n ARG 219 Ca 0.00 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.83 3dfm n ARG 219 Cb 0.09 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.99 3dfm n ARG 219 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3dfm h SER 220 N 0.00 0.67 -0.65 6.15 0.87 -1.62 -2.00 113.55 116.96 3dfm h SER 220 Ca 0.00 -0.28 -0.00 0.00 -1.23 0.00 0.00 61.79 60.27 3dfm h SER 220 Cb 0.00 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.75 3dfm h SER 220 CO 0.00 0.79 0.39 -0.61 -0.53 0.00 0.00 176.83 176.87 3dfm h GLN 221 N 0.53 0.89 -0.07 2.24 4.15 -1.56 -1.21 115.11 120.09 3dfm h GLN 221 Ca 0.12 -0.08 0.02 0.00 0.77 0.00 0.00 58.65 59.48 3dfm h GLN 221 Cb 0.42 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.90 3dfm h GLN 221 CO 0.01 0.64 -0.08 -0.22 -1.93 0.00 0.00 178.83 177.25 3dfm h LYS 222 N 0.89 -0.11 -0.46 1.69 3.64 -1.76 0.29 116.57 120.75 3dfm h LYS 222 Ca 0.23 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.53 3dfm h LYS 222 Cb -0.02 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3dfm h LYS 222 CO -0.04 -0.07 -0.08 0.74 -2.27 0.00 0.00 179.45 177.72 3dfm h PHE 223 N -0.11 0.90 -0.61 1.91 -1.00 -1.20 0.86 116.94 117.68 3dfm h PHE 223 Ca 0.06 -0.16 -0.04 0.00 2.81 0.00 0.00 57.97 60.64 3dfm h PHE 223 Cb 0.19 -0.23 -0.03 0.00 3.61 0.00 0.00 35.95 39.49 3dfm h PHE 223 CO -0.18 0.86 0.24 1.96 -1.61 0.00 0.00 178.31 179.58 3dfm h GLN 224 N 0.75 0.92 -0.68 1.51 4.20 -1.01 -2.39 115.11 118.41 3dfm h GLN 224 Ca 0.13 -0.17 0.01 0.00 0.06 0.00 0.00 58.65 58.69 3dfm h GLN 224 Cb 0.57 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 3dfm h GLN 224 CO 0.03 0.78 0.44 0.00 -0.67 0.00 0.00 178.83 179.42 3dfm h ALA 225 N 1.09 0.87 -0.92 3.87 0.00 -0.21 -2.16 119.26 121.80 3dfm h ALA 225 Ca 0.20 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.19 3dfm h ALA 225 Cb 0.21 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 3dfm h ALA 225 CO -0.02 0.25 0.59 0.28 0.00 0.00 0.00 179.25 180.36 3dfm h VAL 226 N 0.89 0.92 0.00 0.00 2.07 -0.62 -2.09 116.25 117.42 3dfm h VAL 226 Ca 0.26 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3dfm h VAL 226 Cb -0.07 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.69 3dfm h VAL 226 CO -0.07 0.16 0.00 -0.33 0.02 0.00 0.00 177.57 177.35 3dfm h GLU 227 N 0.86 0.00 0.00 1.57 5.08 -0.87 -1.65 114.58 119.56 3dfm h GLU 227 Ca 0.45 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.77 3dfm h GLU 227 Cb 0.52 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 3dfm h GLU 227 CO -0.21 0.00 -0.15 0.00 -1.00 0.00 0.00 179.01 177.65 3dfm h ARG 228 N 0.00 0.00 -3.66 2.33 -0.00 -1.35 -3.30 114.38 108.39 3dfm h ARG 228 Ca 0.00 0.00 -0.63 0.00 -0.50 0.00 0.00 59.98 58.85 3dfm h ARG 228 Cb 0.35 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.33 3dfm h ARG 228 CO 0.00 0.15 3.13 0.66 0.00 0.00 0.00 179.97 183.91 3dfm n TYR 229 N -4.27 2.50 -0.27 3.04 4.01 -0.62 -4.73 117.16 116.81 3dfm n TYR 229 Ca -0.02 -2.63 0.05 0.00 -0.16 0.00 0.00 57.90 55.14 3dfm n TYR 229 Cb 0.22 -2.23 0.28 0.00 -0.31 0.00 0.00 39.34 37.30 3dfm n TYR 229 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 3dfm h SER 230 N 6.07 0.83 0.02 7.72 0.02 -1.83 -0.44 113.55 125.94 3dfm h SER 230 Ca 0.63 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.59 3dfm h SER 230 Cb 0.44 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 3dfm h SER 230 CO 1.79 0.52 -0.01 0.77 -1.14 0.00 0.00 176.83 178.77 3dfm h SER 231 N 0.94 0.00 -2.15 3.07 4.64 -1.85 -3.41 113.55 114.79 3dfm h SER 231 Ca 0.38 0.00 -0.79 0.00 -0.47 0.00 0.00 61.79 60.91 3dfm h SER 231 Cb 0.26 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.13 3dfm h SER 231 CO -0.15 0.01 1.38 0.00 -0.87 0.00 0.00 176.83 177.21 3dfm n GLN 232 N -4.02 4.43 0.00 4.77 1.13 -0.18 -4.32 117.38 119.20 3dfm n GLN 232 Ca -0.03 -4.15 0.00 0.00 -1.94 0.00 0.00 57.00 50.88 3dfm n GLN 232 Cb 0.09 -2.63 0.00 0.00 0.11 0.00 0.00 30.24 27.81 3dfm n GLN 232 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3dfm n VAL 234 N 1.68 0.00 0.08 5.09 0.31 -1.26 -0.39 118.33 123.84 3dfm n VAL 234 Ca 0.38 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.67 3dfm n VAL 234 Cb 0.32 0.00 0.16 0.00 -0.91 0.00 0.00 33.84 33.41 3dfm n VAL 234 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3dfm h LEU 235 N 0.00 0.29 0.09 7.52 5.85 -1.86 -2.95 115.31 124.24 3dfm h LEU 235 Ca 0.00 -0.14 -0.29 0.00 0.84 0.00 0.00 57.88 58.28 3dfm h LEU 235 Cb 0.00 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3dfm h LEU 235 CO 0.00 0.75 -1.56 -0.07 -0.34 0.00 0.00 178.44 177.22 3dfm h LEU 236 N 0.21 0.30 -1.53 2.25 3.38 -1.11 -3.35 115.31 115.45 3dfm h LEU 236 Ca 0.01 -0.80 -0.05 0.00 0.09 0.00 0.00 57.88 57.13 3dfm h LEU 236 Cb 0.97 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 3dfm h LEU 236 CO 0.08 1.66 -0.22 0.78 0.09 0.00 0.00 178.44 180.84 3dfm h ASN 237 N -0.36 0.00 0.00 -0.43 2.35 -1.79 -3.42 115.58 111.93 3dfm h ASN 237 Ca -0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 3dfm h ASN 237 Cb 1.73 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.10 3dfm h ASN 237 CO 0.00 0.22 0.00 0.61 -1.65 0.00 0.00 177.43 176.61 3dfm n GLY 238 N -0.41 2.73 0.13 2.83 0.00 -1.11 -2.19 105.19 107.17 3dfm n GLY 238 Ca -0.01 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 3dfm n GLY 238 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3dfm n SER 239 N 7.36 2.02 -0.26 1.61 7.64 -1.26 -4.50 113.62 126.24 3dfm n SER 239 Ca 0.00 0.24 0.13 0.00 1.01 0.00 0.00 58.87 60.25 3dfm n SER 239 Cb 0.00 -0.84 0.33 0.00 -1.01 0.00 0.00 64.21 62.69 3dfm n SER 239 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3dfm n GLU 240 N -3.78 0.84 -3.75 1.43 -0.58 -1.24 -4.95 120.64 108.61 3dfm n GLU 240 Ca -0.35 -0.52 -0.24 0.00 -0.42 0.00 0.00 57.16 55.62 3dfm n GLU 240 Cb 0.93 -1.49 0.04 0.00 -0.57 0.00 0.00 31.44 30.35 3dfm n GLU 240 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3dfm n ASN 241 N -0.62 -2.95 -2.68 1.62 4.13 -0.93 -4.94 115.26 108.88 3dfm n ASN 241 Ca 0.12 -0.77 -0.08 0.00 1.68 0.00 0.00 54.58 55.52 3dfm n ASN 241 Cb 0.36 -4.15 0.03 0.00 -1.54 0.00 0.00 39.78 34.48 3dfm n ASN 241 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 3dfm n ASN 242 N -2.98 1.71 0.08 6.41 6.94 -1.23 -4.92 115.26 121.26 3dfm n ASN 242 Ca -0.15 -2.63 -0.12 0.00 -0.02 0.00 0.00 54.58 51.65 3dfm n ASN 242 Cb 0.61 -0.51 -0.06 0.00 -2.36 0.00 0.00 39.78 37.47 3dfm n ASN 242 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 3dfm h LEU 243 N 2.88 -0.37 -1.01 -4.53 5.85 -1.81 -2.17 115.31 114.15 3dfm h LEU 243 Ca -0.08 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.59 3dfm h LEU 243 Cb 1.19 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 3dfm h LEU 243 CO 0.45 -0.19 -0.31 -0.26 -0.34 0.00 0.00 178.44 177.79 3dfm h PHE 244 N -0.25 0.36 -0.33 1.25 0.04 -1.95 0.16 116.94 116.22 3dfm h PHE 244 Ca 0.03 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.72 3dfm h PHE 244 Cb 0.28 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 3dfm h PHE 244 CO -0.16 0.60 0.22 -0.44 -0.60 0.00 0.00 178.31 177.93 3dfm h ASP 245 N 0.28 0.38 -0.55 2.17 3.32 -1.93 0.28 116.42 120.37 3dfm h ASP 245 Ca 0.04 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 3dfm h ASP 245 Cb 0.69 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 3dfm h ASP 245 CO 0.05 0.28 0.04 0.03 -1.72 0.00 0.00 179.24 177.91 3dfm h ARG 246 N 0.45 0.95 -0.32 3.56 3.08 -0.76 0.27 114.38 121.61 3dfm h ARG 246 Ca 0.12 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 3dfm h ARG 246 Cb -0.05 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3dfm h ARG 246 CO -0.03 0.94 0.10 -0.07 -1.07 0.00 0.00 179.97 179.84 3dfm h LEU 247 N 0.83 0.47 -0.52 3.04 3.38 -0.78 -0.31 115.31 121.42 3dfm h LEU 247 Ca 0.16 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3dfm h LEU 247 Cb 0.49 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3dfm h LEU 247 CO 0.02 0.55 0.28 0.44 0.09 0.00 0.00 178.44 179.82 3dfm h ASP 248 N 0.36 0.65 -0.65 -0.43 3.32 -0.23 -2.21 116.42 117.23 3dfm h ASP 248 Ca 0.10 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3dfm h ASP 248 Cb 0.25 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 3dfm h ASP 248 CO -0.00 0.56 0.38 -0.08 -1.72 0.00 0.00 179.24 178.37 3dfm h GLU 249 N 0.69 0.89 -0.35 3.56 4.57 -0.30 -0.63 114.58 123.01 3dfm h GLU 249 Ca 0.18 -0.09 0.01 0.00 -1.18 0.00 0.00 59.36 58.28 3dfm h GLU 249 Cb 0.05 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 3dfm h GLU 249 CO -0.03 0.65 0.23 1.25 -1.18 0.00 0.00 179.01 179.93 3dfm h HIS 250 N 0.89 0.43 -0.19 0.92 2.76 -0.85 -2.08 115.15 117.02 3dfm h HIS 250 Ca 0.23 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.32 3dfm h HIS 250 Cb 0.00 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 28.81 3dfm h HIS 250 CO -0.01 0.26 -0.30 0.00 -1.30 0.00 0.00 177.93 176.58 3dfm h ALA 251 N 1.14 1.13 -0.61 5.26 0.00 -1.23 -2.83 119.26 122.12 3dfm h ALA 251 Ca 0.13 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.73 3dfm h ALA 251 Cb -0.04 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 3dfm h ALA 251 CO -0.04 0.55 0.35 -0.09 0.00 0.00 0.00 179.25 180.02 3dfm h ARG 252 N 0.33 0.64 -0.36 0.00 2.43 -0.70 -2.54 114.38 114.18 3dfm h ARG 252 Ca 0.04 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3dfm h ARG 252 Cb 0.70 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 3dfm h ARG 252 CO 0.05 0.43 0.20 1.96 -1.51 0.00 0.00 179.97 181.10 3dfm h GLN 253 N 0.66 0.51 -0.00 0.20 4.20 -1.15 -1.92 115.11 117.60 3dfm h GLN 253 Ca 0.26 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.91 3dfm h GLN 253 Cb 0.10 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3dfm h GLN 253 CO -0.14 0.41 -0.01 0.09 -0.67 0.00 0.00 178.83 178.51 3dfm n ASN 254 N -4.76 0.07 -2.99 1.46 3.02 -1.12 -3.61 115.26 107.33 3dfm n ASN 254 Ca -0.00 -0.42 -0.13 0.00 -0.03 0.00 0.00 54.58 53.99 3dfm n ASN 254 Cb 0.08 -0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 39.03 3dfm n ASN 254 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dfm n ALA 255 N -1.16 -0.04 1.83 5.41 0.00 -0.97 -4.90 120.51 120.68 3dfm n ALA 255 Ca 0.17 -1.88 0.09 0.00 0.00 0.00 0.00 53.44 51.82 3dfm n ALA 255 Cb 0.21 -1.20 0.56 0.00 0.00 0.00 0.00 19.45 19.02 3dfm n ALA 255 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3dfm n PRO 256 N 2.70 0.91 0.00 0.00 -0.05 -0.73 -1.50 135.00 136.34 3dfm n PRO 256 Ca 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.66 3dfm n PRO 256 Cb 0.54 -1.32 0.00 0.00 -0.05 0.00 0.00 33.50 32.67 3dfm n PRO 256 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 3dfm n HIS 257 N -0.82 0.00 -3.63 0.54 8.25 -1.26 -5.05 115.22 113.25 3dfm n HIS 257 Ca 0.14 -0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3dfm n HIS 257 Cb 0.06 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.16 3dfm n HIS 257 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dfm n GLY 258 N -0.15 5.21 0.00 -1.41 0.00 -0.56 -5.18 105.19 103.10 3dfm n GLY 258 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.06 3dfm n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dfm n GLY 259 N 3.43 0.75 3.85 -0.02 0.00 -1.26 -4.90 105.19 107.03 3dfm n GLY 259 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3dfm n GLY 259 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dfm s TYR 260 N 3.76 3.41 -0.17 1.61 5.04 -1.26 -4.44 117.35 125.29 3dfm s TYR 260 Ca 0.00 1.35 -0.35 0.00 -2.44 0.00 0.00 57.07 55.63 3dfm s TYR 260 Cb 0.00 -2.67 0.14 0.00 0.35 0.00 0.00 41.96 39.78 3dfm s TYR 260 CO 0.00 -0.15 1.27 0.20 -1.34 0.00 0.00 175.55 175.53 3dfm s GLY 261 N -2.72 -0.31 -0.04 8.97 0.00 -1.26 -1.77 107.32 110.20 3dfm s GLY 261 Ca 0.57 1.46 0.04 0.00 0.00 0.00 0.00 44.72 46.79 3dfm s GLY 261 CO 0.24 0.46 -0.16 -0.54 0.00 0.00 0.00 173.10 173.10 3dfm s GLU 262 N -2.32 1.59 -0.12 2.90 2.02 -1.26 -4.72 118.70 116.79 3dfm s GLU 262 Ca 0.11 -0.56 -0.27 0.00 0.02 0.00 0.00 54.97 54.27 3dfm s GLU 262 Cb 0.01 -1.42 -0.02 0.00 0.10 0.00 0.00 34.13 32.80 3dfm s GLU 262 CO -0.04 0.24 0.88 0.99 0.02 0.00 0.00 175.26 177.36 3dfm s THR 263 N -0.01 4.87 0.12 3.63 2.01 -1.26 -1.07 115.64 123.93 3dfm s THR 263 Ca -0.02 1.78 0.05 0.00 0.31 0.00 0.00 61.69 63.81 3dfm s THR 263 Cb -0.10 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 3dfm s THR 263 CO 0.01 0.06 -0.13 0.42 -0.69 0.00 0.00 174.62 174.30 3dfm s THR 264 N 1.83 1.24 -0.03 -0.82 -4.23 0.03 -1.20 115.64 112.45 3dfm s THR 264 Ca 0.43 -1.78 0.04 0.00 -1.18 0.00 0.00 61.69 59.20 3dfm s THR 264 Cb -0.18 -1.57 -0.01 0.00 1.34 0.00 0.00 72.50 72.09 3dfm s THR 264 CO 0.16 -0.51 -0.16 0.26 -0.54 0.00 0.00 174.62 173.83 3dfm s TRP 265 N -2.44 1.51 0.45 3.99 0.51 -0.06 -0.50 118.94 122.40 3dfm s TRP 265 Ca 0.10 -0.38 -0.22 0.00 -2.12 0.00 0.00 56.10 53.48 3dfm s TRP 265 Cb -0.03 -1.01 -0.08 0.00 -0.81 0.00 0.00 33.47 31.53 3dfm s TRP 265 CO 0.02 -0.11 1.07 -1.25 -0.51 0.00 0.00 176.95 176.17 3dfm s PRO 266 N -0.07 3.90 -0.19 4.98 0.04 -1.26 -0.20 135.00 142.20 3dfm s PRO 266 Ca -0.00 1.52 -0.09 0.00 0.04 0.00 0.00 61.00 62.47 3dfm s PRO 266 Cb -0.09 -2.32 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 3dfm s PRO 266 CO 0.01 -0.37 0.10 0.08 0.04 0.00 0.00 177.00 176.85 3dfm s VAL 267 N -1.75 5.12 0.15 -0.36 1.01 -0.71 -0.75 120.40 123.10 3dfm s VAL 267 Ca 0.63 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.73 3dfm s VAL 267 Cb -0.21 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 3dfm s VAL 267 CO 0.26 0.45 -0.08 0.68 0.00 0.00 0.00 175.10 176.42 3dfm s VAL 268 N 0.34 1.05 0.26 2.92 -7.23 -0.44 -4.65 120.40 112.65 3dfm s VAL 268 Ca 0.06 -2.04 -0.29 0.00 -1.81 0.00 0.00 61.98 57.90 3dfm s VAL 268 Cb -0.12 -1.92 -0.09 0.00 0.56 0.00 0.00 36.38 34.82 3dfm s VAL 268 CO -0.01 -0.68 1.17 -0.13 -0.31 0.00 0.00 175.10 175.13 3dfm s ARG 269 N -3.79 4.55 0.70 4.82 1.81 -1.26 -0.78 118.95 124.99 3dfm s ARG 269 Ca 0.18 1.90 -0.15 0.00 -1.72 0.00 0.00 55.73 55.94 3dfm s ARG 269 Cb 0.04 -3.19 0.02 0.00 -0.45 0.00 0.00 34.95 31.37 3dfm s ARG 269 CO 0.01 0.05 1.16 -1.12 -0.68 0.00 0.00 175.30 174.72 3dfm s SER 270 N -0.49 4.61 0.44 0.23 0.01 0.09 -4.80 113.70 113.80 3dfm s SER 270 Ca 0.48 2.20 -0.25 0.00 1.31 0.00 0.00 55.95 59.69 3dfm s SER 270 Cb -0.33 -2.57 -0.08 0.00 0.21 0.00 0.00 66.02 63.24 3dfm s SER 270 CO 0.42 -1.97 1.37 -1.81 0.41 0.00 0.00 173.24 171.65 3dfm s ASP 271 N -2.26 5.98 -1.12 2.44 1.01 -1.26 -3.26 116.67 118.21 3dfm s ASP 271 Ca 0.71 2.79 -0.02 0.00 0.71 0.00 0.00 52.55 56.74 3dfm s ASP 271 Cb -0.25 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.03 3dfm s ASP 271 CO 0.43 -1.09 0.27 0.47 0.21 0.00 0.00 175.17 175.46 3dfm n ASP 272 N -0.17 -4.57 0.00 0.27 8.00 -1.26 -5.07 116.55 113.75 3dfm n ASP 272 Ca 0.05 -0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.42 3dfm n ASP 272 Cb 0.43 -3.54 0.00 0.00 -0.02 0.00 0.00 41.12 37.99 3dfm n ASP 272 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27