#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ffy s ASP 2 N 0.00 6.48 -0.02 6.12 2.15 -1.26 -4.99 116.67 125.15 1ffy s ASP 2 Ca 0.00 0.57 -0.06 0.00 0.43 0.00 0.00 52.55 53.49 1ffy s ASP 2 Cb 0.00 -2.18 -0.29 0.00 -0.30 0.00 0.00 42.92 40.15 1ffy s ASP 2 CO 0.00 0.18 0.76 1.88 -0.17 0.00 0.00 175.17 177.82 1ffy h TYR 3 N 6.15 0.57 -0.74 -5.34 -1.99 -1.99 -3.36 116.97 110.26 1ffy h TYR 3 Ca -0.45 -0.41 0.22 0.00 2.00 0.00 0.00 58.73 60.09 1ffy h TYR 3 Cb 1.18 -0.02 -0.03 0.00 2.00 0.00 0.00 36.73 39.86 1ffy h TYR 3 CO 0.64 1.51 0.62 1.49 -0.00 0.00 0.00 178.16 182.42 1ffy h GLU 4 N 0.08 0.00 0.00 4.88 4.81 -1.94 -0.06 114.58 122.36 1ffy h GLU 4 Ca -0.29 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.91 1ffy h GLU 4 Cb 2.06 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.43 1ffy h GLU 4 CO 0.17 0.00 -0.15 0.87 -0.73 0.00 0.00 179.01 179.17 1ffy h LYS 5 N 0.00 0.00 -0.00 1.92 1.57 -2.02 -1.79 116.57 116.26 1ffy h LYS 5 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1ffy h LYS 5 Cb 1.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.90 1ffy h LYS 5 CO -0.00 0.15 -0.29 0.25 -0.57 0.00 0.00 179.45 178.98 1ffy n THR 6 N -4.30 0.00 -2.21 -0.16 -2.24 -0.04 -4.90 114.28 100.43 1ffy n THR 6 Ca -0.03 -0.01 -0.31 0.00 -2.27 0.00 0.00 64.05 61.43 1ffy n THR 6 Cb 0.22 -0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.42 1ffy n THR 6 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1ffy s LEU 7 N -2.93 3.46 -0.86 3.22 1.02 -0.67 -5.00 118.68 116.92 1ffy s LEU 7 Ca 0.14 1.42 -0.03 0.00 0.02 0.00 0.00 54.13 55.68 1ffy s LEU 7 Cb 0.18 -4.41 0.21 0.00 0.02 0.00 0.00 46.19 42.20 1ffy s LEU 7 CO 0.62 -0.70 0.75 -0.76 0.02 0.00 0.00 176.35 176.28 1ffy s LEU 8 N -4.60 5.64 0.41 1.79 1.43 -0.90 -5.05 118.68 117.39 1ffy s LEU 8 Ca 0.56 -3.50 -0.21 0.00 -1.03 0.00 0.00 54.13 49.94 1ffy s LEU 8 Cb -0.10 -1.94 -0.11 0.00 0.03 0.00 0.00 46.19 44.07 1ffy s LEU 8 CO 0.43 -0.25 0.93 -0.04 0.23 0.00 0.00 176.35 177.65 1ffy s MET 9 N -1.03 4.25 0.57 1.70 -1.94 -1.26 -4.15 119.30 117.44 1ffy s MET 9 Ca 0.25 1.10 -0.19 0.00 -1.71 0.00 0.00 55.69 55.15 1ffy s MET 9 Cb -0.10 -2.27 -0.07 0.00 2.01 0.00 0.00 34.83 34.40 1ffy s MET 9 CO -0.10 0.02 0.79 -2.30 -0.01 0.00 0.00 175.02 173.42 1ffy n PRO 10 N -0.49 0.78 -3.72 2.03 -0.02 -1.26 -4.97 135.00 127.36 1ffy n PRO 10 Ca 0.06 0.30 -0.16 0.00 -2.02 0.00 0.00 63.50 61.69 1ffy n PRO 10 Cb 0.54 -1.96 -0.16 0.00 -0.02 0.00 0.00 33.50 31.90 1ffy n PRO 10 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1ffy s LYS 11 N -2.41 0.03 -0.24 -0.52 1.02 0.47 -4.95 119.74 113.13 1ffy s LYS 11 Ca 0.72 0.40 -0.30 0.00 0.02 0.00 0.00 55.97 56.81 1ffy s LYS 11 Cb -0.44 -0.26 0.17 0.00 -0.52 0.00 0.00 37.83 36.77 1ffy s LYS 11 CO 0.51 -0.23 1.25 0.95 -0.92 0.00 0.00 175.35 176.90 1ffy s THR 12 N 1.64 0.00 -2.65 2.17 -4.23 -1.26 -4.20 115.64 107.12 1ffy s THR 12 Ca -0.03 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 60.71 1ffy s THR 12 Cb -0.12 -1.00 0.35 0.00 1.34 0.00 0.00 72.50 73.07 1ffy s THR 12 CO -0.05 0.00 1.36 -0.90 -0.54 0.00 0.00 174.62 174.49 1ffy n ASP 13 N 0.50 3.31 -4.65 3.99 5.75 -1.26 -4.90 116.55 119.30 1ffy n ASP 13 Ca -0.03 -1.99 -0.42 0.00 -0.01 0.00 0.00 54.79 52.34 1ffy n ASP 13 Cb 0.58 -0.17 -0.03 0.00 -1.03 0.00 0.00 41.12 40.48 1ffy n ASP 13 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1ffy s PHE 14 N -1.66 1.26 0.47 2.11 5.36 -1.26 -4.91 117.98 119.35 1ffy s PHE 14 Ca 0.36 -0.21 -0.23 0.00 -0.96 0.00 0.00 56.93 55.88 1ffy s PHE 14 Cb 0.22 -4.17 -0.07 0.00 -0.34 0.00 0.00 43.02 38.66 1ffy s PHE 14 CO 0.31 -5.19 1.25 -2.14 -1.46 0.00 0.00 175.22 167.99 1ffy s PRO 15 N 4.91 3.66 0.08 10.12 0.02 -1.26 -4.98 135.00 147.56 1ffy s PRO 15 Ca 0.91 1.99 -0.15 0.00 0.02 0.00 0.00 61.00 63.77 1ffy s PRO 15 Cb -0.40 -2.47 -0.16 0.00 0.02 0.00 0.00 34.50 31.49 1ffy s PRO 15 CO 0.40 -0.69 1.28 1.98 -0.33 0.00 0.00 177.00 179.64 1ffy h MET 16 N 2.07 0.68 -6.23 5.54 4.05 -1.96 -3.43 114.93 115.66 1ffy h MET 16 Ca -0.50 -0.54 -0.57 0.00 -0.28 0.00 0.00 59.70 57.81 1ffy h MET 16 Cb 1.26 0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 32.12 1ffy h MET 16 CO 0.60 1.16 -0.02 1.03 0.23 0.00 0.00 176.91 179.91 1ffy s ARG 17 N -3.77 4.24 0.04 0.39 0.52 -1.26 -4.72 118.95 114.39 1ffy s ARG 17 Ca -0.11 0.76 -0.25 0.00 -0.52 0.00 0.00 55.73 55.61 1ffy s ARG 17 Cb 0.07 -3.26 -0.17 0.00 0.52 0.00 0.00 34.95 32.12 1ffy s ARG 17 CO 0.87 0.59 1.52 0.78 0.02 0.00 0.00 175.30 179.09 1ffy h GLY 18 N 4.70 -0.11 -2.09 -3.53 0.00 -2.00 -3.46 103.07 96.57 1ffy h GLY 18 Ca -0.49 0.04 -0.35 0.00 0.00 0.00 0.00 47.33 46.53 1ffy h GLY 18 CO 0.64 -0.04 -0.42 0.61 0.00 0.00 0.00 176.54 177.33 1ffy n GLY 19 N -0.61 0.17 0.35 4.60 0.00 -1.26 -4.81 105.19 103.64 1ffy n GLY 19 Ca -0.08 -0.15 -0.05 0.00 0.00 0.00 0.00 46.02 45.73 1ffy n GLY 19 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ffy h LEU 20 N 0.00 -1.21 -1.42 0.99 4.07 -1.90 -0.58 115.31 115.26 1ffy h LEU 20 Ca -0.40 0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.79 1ffy h LEU 20 Cb 1.27 0.60 0.00 0.00 1.08 0.00 0.00 40.66 43.61 1ffy h LEU 20 CO 0.50 -0.31 0.25 -0.65 -1.08 0.00 0.00 178.44 177.16 1ffy h PRO 21 N -0.15 0.00 0.00 1.13 0.11 -1.81 0.04 132.00 131.31 1ffy h PRO 21 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1ffy h PRO 21 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1ffy h PRO 21 CO -0.70 0.00 -0.34 0.09 -0.21 0.00 0.00 178.00 176.83 1ffy n ASN 22 N -2.40 0.68 -0.11 -2.05 3.02 -0.45 -4.67 115.26 109.28 1ffy n ASN 22 Ca -0.01 -0.53 -0.20 0.00 -0.03 0.00 0.00 54.58 53.80 1ffy n ASN 22 Cb 0.29 1.03 -0.12 0.00 -0.61 0.00 0.00 39.78 40.36 1ffy n ASN 22 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1ffy n LYS 23 N -1.18 0.66 -0.11 3.52 3.00 -0.35 -4.54 118.16 119.16 1ffy n LYS 23 Ca 0.01 0.20 0.06 0.00 -0.00 0.00 0.00 58.31 58.58 1ffy n LYS 23 Cb 0.08 -1.56 0.39 0.00 0.00 0.00 0.00 35.03 33.94 1ffy n LYS 23 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1ffy h GLU 24 N -0.16 0.64 -0.66 1.64 5.08 -1.29 -2.52 114.58 117.30 1ffy h GLU 24 Ca -0.56 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 57.69 1ffy h GLU 24 Cb 1.87 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.95 1ffy h GLU 24 CO -0.11 0.42 0.13 -1.35 -1.00 0.00 0.00 179.01 177.10 1ffy h PRO 25 N 0.65 1.07 -0.19 2.33 0.11 -1.80 -0.74 132.00 133.44 1ffy h PRO 25 Ca 0.25 -0.27 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1ffy h PRO 25 Cb 0.17 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 1ffy h PRO 25 CO -0.07 0.96 0.10 1.96 -0.21 0.00 0.00 178.00 180.74 1ffy h GLN 26 N 1.01 0.27 -0.60 1.05 4.20 -1.70 0.41 115.11 119.73 1ffy h GLN 26 Ca 0.20 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.89 1ffy h GLN 26 Cb 0.40 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 1ffy h GLN 26 CO 0.01 0.27 0.40 0.82 -0.67 0.00 0.00 178.83 179.65 1ffy h ILE 27 N 0.19 1.15 -0.37 2.54 2.04 -1.31 -0.66 117.51 121.09 1ffy h ILE 27 Ca 0.07 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 1ffy h ILE 27 Cb 0.08 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 1ffy h ILE 27 CO -0.01 0.15 0.17 1.56 0.00 0.00 0.00 178.15 180.02 1ffy h GLN 28 N 0.81 0.54 -0.72 2.37 4.20 -0.82 -0.96 115.11 120.52 1ffy h GLN 28 Ca 0.22 -0.08 0.14 0.00 0.06 0.00 0.00 58.65 58.98 1ffy h GLN 28 Cb -0.08 -0.09 -0.09 0.00 0.30 0.00 0.00 27.48 27.51 1ffy h GLN 28 CO -0.05 0.49 0.26 1.49 -0.67 0.00 0.00 178.83 180.35 1ffy h GLU 29 N 0.45 0.38 -0.46 1.46 4.57 0.54 -1.13 114.58 120.39 1ffy h GLU 29 Ca 0.13 -0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.16 1ffy h GLU 29 Cb 0.14 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1ffy h GLU 29 CO -0.01 0.25 -0.18 -0.22 -1.18 0.00 0.00 179.01 177.67 1ffy h LYS 30 N 0.40 0.94 -0.96 1.92 3.64 -0.61 -1.71 116.57 120.18 1ffy h LYS 30 Ca 0.39 -0.39 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1ffy h LYS 30 Cb 0.59 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.32 1ffy h LYS 30 CO -0.41 1.05 0.63 -1.49 -2.27 0.00 0.00 179.45 176.97 1ffy h TRP 31 N 0.78 1.19 0.04 1.91 6.55 -0.04 -1.25 115.95 125.13 1ffy h TRP 31 Ca 0.11 0.03 -0.00 0.00 0.95 0.00 0.00 58.89 59.98 1ffy h TRP 31 Cb 0.74 -0.40 0.00 0.00 -0.86 0.00 0.00 29.16 28.64 1ffy h TRP 31 CO 0.05 0.71 -0.02 -0.44 -1.05 0.00 0.00 178.44 177.69 1ffy h ASP 32 N 1.25 -0.04 -0.98 -3.49 3.32 -1.12 -2.21 116.42 113.14 1ffy h ASP 32 Ca 0.37 -0.34 0.16 0.00 0.02 0.00 0.00 57.03 57.24 1ffy h ASP 32 Cb -0.05 0.01 -0.10 0.00 0.22 0.00 0.00 39.33 39.41 1ffy h ASP 32 CO -0.11 0.32 0.59 0.00 -1.72 0.00 0.00 179.24 178.33 1ffy h ALA 33 N 0.52 1.57 -0.41 3.45 0.00 -0.99 0.36 119.26 123.77 1ffy h ALA 33 Ca -0.01 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1ffy h ALA 33 Cb 0.38 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1ffy h ALA 33 CO 0.01 0.02 0.15 -0.85 0.00 0.00 0.00 179.25 178.58 1ffy n GLU 34 N -4.74 2.53 -3.69 0.00 0.28 -0.50 -4.91 120.64 109.61 1ffy n GLU 34 Ca 0.21 -1.68 -0.21 0.00 -0.16 0.00 0.00 57.16 55.32 1ffy n GLU 34 Cb 0.49 -1.80 -0.05 0.00 1.43 0.00 0.00 31.44 31.51 1ffy n GLU 34 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1ffy n ASP 35 N 0.04 0.10 -0.00 -1.84 2.03 0.13 -4.80 116.55 112.20 1ffy n ASP 35 Ca 0.22 -0.80 0.10 0.00 0.52 0.00 0.00 54.79 54.83 1ffy n ASP 35 Cb 0.92 -0.99 0.53 0.00 -0.72 0.00 0.00 41.12 40.85 1ffy n ASP 35 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 1ffy h GLN 36 N -0.71 0.32 -0.03 -0.67 4.15 -1.61 -2.02 115.11 114.54 1ffy h GLN 36 Ca -0.42 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.02 1ffy h GLN 36 Cb 0.88 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.44 1ffy h GLN 36 CO 0.43 0.21 -0.26 -0.92 -1.93 0.00 0.00 178.83 176.36 1ffy h TYR 37 N 0.33 -0.70 0.00 3.99 3.20 -1.87 0.49 116.97 122.41 1ffy h TYR 37 Ca 0.20 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.00 1ffy h TYR 37 Cb 0.37 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 1ffy h TYR 37 CO -0.00 -0.35 -0.48 0.45 -1.64 0.00 0.00 178.16 176.14 1ffy h HIS 38 N -0.38 0.00 -0.42 -3.82 3.86 -1.85 -2.77 115.15 109.77 1ffy h HIS 38 Ca 0.07 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.14 1ffy h HIS 38 Cb 0.48 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 1ffy h HIS 38 CO -0.31 0.48 -0.28 0.87 0.86 0.00 0.00 177.93 179.55 1ffy h LYS 39 N 0.00 0.93 -0.84 2.45 1.79 -0.61 -0.54 116.57 119.75 1ffy h LYS 39 Ca -0.00 -0.44 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1ffy h LYS 39 Cb 0.97 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.56 1ffy h LYS 39 CO 0.06 1.10 0.53 0.00 -1.08 0.00 0.00 179.45 180.06 1ffy h ALA 40 N 0.81 1.37 0.12 3.86 0.00 0.08 0.43 119.26 125.92 1ffy h ALA 40 Ca 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ffy h ALA 40 Cb 0.86 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ffy h ALA 40 CO 0.08 0.57 -0.06 -0.07 0.00 0.00 0.00 179.25 179.77 1ffy h LEU 41 N 1.14 -0.13 -2.34 0.00 3.38 -1.19 -3.03 115.31 113.15 1ffy h LEU 41 Ca 0.30 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ffy h LEU 41 Cb -0.10 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1ffy h LEU 41 CO -0.06 0.30 0.00 1.05 0.09 0.00 0.00 178.44 179.81 1ffy h GLU 42 N -0.59 0.00 -0.05 1.13 4.11 -0.86 -0.98 114.58 117.34 1ffy h GLU 42 Ca -0.02 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.34 1ffy h GLU 42 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1ffy h GLU 42 CO 0.03 0.00 -0.33 -0.22 0.07 0.00 0.00 179.01 178.55 1ffy h LYS 43 N 0.00 0.10 -0.25 1.06 3.64 -0.78 -2.68 116.57 117.66 1ffy h LYS 43 Ca 0.00 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1ffy h LYS 43 Cb 0.20 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1ffy h LYS 43 CO 0.00 0.42 -0.00 0.09 -2.27 0.00 0.00 179.45 177.69 1ffy n ASN 44 N -4.12 3.77 -0.03 4.20 3.02 -0.44 -4.90 115.26 116.75 1ffy n ASN 44 Ca -0.02 -3.04 0.00 0.00 -0.03 0.00 0.00 54.58 51.49 1ffy n ASN 44 Cb 0.39 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 1ffy n ASN 44 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1ffy n LYS 45 N -0.58 -0.02 -0.45 3.52 4.81 -0.75 -0.68 118.16 124.01 1ffy n LYS 45 Ca 0.21 0.12 0.05 0.00 -0.87 0.00 0.00 58.31 57.83 1ffy n LYS 45 Cb 0.88 -0.18 0.19 0.00 0.02 0.00 0.00 35.03 35.95 1ffy n LYS 45 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ffy n GLY 46 N -1.04 4.82 3.99 3.14 0.00 -1.26 -5.02 105.19 109.82 1ffy n GLY 46 Ca 0.01 -1.19 -0.24 0.00 0.00 0.00 0.00 46.02 44.60 1ffy n GLY 46 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ffy s ASN 47 N -2.74 4.25 0.64 1.61 0.01 0.14 -5.03 114.94 113.82 1ffy s ASN 47 Ca 0.38 -0.34 -0.18 0.00 -0.71 0.00 0.00 52.86 52.02 1ffy s ASN 47 Cb 0.34 -0.00 -0.03 0.00 0.41 0.00 0.00 41.25 41.97 1ffy s ASN 47 CO 0.00 -1.94 1.01 1.21 -1.51 0.00 0.00 177.10 175.88 1ffy n GLU 48 N -2.90 0.83 -4.07 -0.60 2.13 -1.26 -4.46 120.64 110.30 1ffy n GLU 48 Ca 0.15 0.33 -0.28 0.00 0.66 0.00 0.00 57.16 58.02 1ffy n GLU 48 Cb 0.61 -2.23 -0.06 0.00 0.27 0.00 0.00 31.44 30.02 1ffy n GLU 48 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1ffy s THR 49 N -1.56 4.47 -0.09 6.31 -1.32 -1.26 -0.79 115.64 121.40 1ffy s THR 49 Ca 0.77 -0.93 -0.02 0.00 -1.21 0.00 0.00 61.69 60.30 1ffy s THR 49 Cb -0.39 -3.21 0.03 0.00 -1.51 0.00 0.00 72.50 67.42 1ffy s THR 49 CO 0.46 0.02 0.00 0.12 -2.21 0.00 0.00 174.62 173.01 1ffy s PHE 50 N -1.55 0.74 -0.31 9.09 5.36 -0.45 -4.88 117.98 125.98 1ffy s PHE 50 Ca 0.30 -0.28 -0.03 0.00 -0.96 0.00 0.00 56.93 55.95 1ffy s PHE 50 Cb -0.11 -0.85 0.04 0.00 -0.34 0.00 0.00 43.02 41.76 1ffy s PHE 50 CO 0.22 -0.38 0.03 0.42 -1.46 0.00 0.00 175.22 174.06 1ffy s ILE 51 N 1.95 3.28 -0.39 3.12 -1.09 -1.26 -4.10 121.20 122.71 1ffy s ILE 51 Ca 0.04 -1.24 -0.09 0.00 -2.23 0.00 0.00 60.65 57.13 1ffy s ILE 51 Cb -0.13 -2.85 0.06 0.00 -1.58 0.00 0.00 42.46 37.96 1ffy s ILE 51 CO -0.06 -0.10 0.21 -0.22 -1.23 0.00 0.00 174.94 173.54 1ffy s LEU 52 N 1.32 4.86 -0.14 2.97 0.20 -1.26 -1.06 118.68 125.56 1ffy s LEU 52 Ca -0.03 -1.33 -0.29 0.00 0.69 0.00 0.00 54.13 53.17 1ffy s LEU 52 Cb -0.19 -1.96 -0.01 0.00 -0.43 0.00 0.00 46.19 43.60 1ffy s LEU 52 CO 0.00 -0.45 0.98 -2.28 -0.29 0.00 0.00 176.35 174.31 1ffy s HIS 53 N 1.44 3.46 0.12 5.38 5.65 -0.97 -4.68 115.29 125.68 1ffy s HIS 53 Ca 0.02 1.51 -0.30 0.00 0.25 0.00 0.00 55.06 56.53 1ffy s HIS 53 Cb -0.21 -3.18 -0.06 0.00 -1.18 0.00 0.00 32.58 27.95 1ffy s HIS 53 CO 0.03 -0.28 1.10 0.34 -0.65 0.00 0.00 174.74 175.28 1ffy s ASP 54 N 1.13 7.25 0.08 9.88 3.68 -1.26 -4.50 116.67 132.93 1ffy s ASP 54 Ca 0.46 1.99 -0.29 0.00 2.13 0.00 0.00 52.55 56.84 1ffy s ASP 54 Cb -0.17 -2.59 -0.05 0.00 -1.45 0.00 0.00 42.92 38.65 1ffy s ASP 54 CO 0.14 -0.28 0.93 -0.83 0.13 0.00 0.00 175.17 175.26 1ffy s GLY 55 N 0.36 2.95 -0.42 2.66 0.00 -1.26 -4.72 107.32 106.89 1ffy s GLY 55 Ca 0.52 0.52 -0.28 0.00 0.00 0.00 0.00 44.72 45.48 1ffy s GLY 55 CO 0.32 1.43 1.53 2.56 0.00 0.00 0.00 173.10 178.94 1ffy s PRO 56 N 0.14 3.43 0.79 2.90 0.04 -1.26 -4.74 135.00 136.30 1ffy s PRO 56 Ca 0.46 0.98 -0.12 0.00 0.04 0.00 0.00 61.00 62.36 1ffy s PRO 56 Cb -0.22 -4.10 0.07 0.00 0.04 0.00 0.00 34.50 30.29 1ffy s PRO 56 CO 0.28 -1.74 1.14 -1.25 0.04 0.00 0.00 177.00 175.47 1ffy s PRO 57 N 5.29 1.90 -0.03 0.56 0.04 -1.23 -3.92 135.00 137.62 1ffy s PRO 57 Ca 0.65 1.46 -0.30 0.00 0.04 0.00 0.00 61.00 62.85 1ffy s PRO 57 Cb -0.15 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 1ffy s PRO 57 CO 0.31 -1.96 1.02 -0.47 0.04 0.00 0.00 177.00 175.94 1ffy s TYR 58 N -2.54 3.58 -1.11 0.56 5.04 -1.26 -0.36 117.35 121.26 1ffy s TYR 58 Ca 0.67 1.61 -0.10 0.00 -2.44 0.00 0.00 57.07 56.81 1ffy s TYR 58 Cb -0.22 -3.18 -0.07 0.00 0.35 0.00 0.00 41.96 38.84 1ffy s TYR 58 CO 0.52 -0.24 2.28 0.00 -1.34 0.00 0.00 175.55 176.78 1ffy n ALA 59 N 4.31 5.19 -3.60 3.97 0.00 0.26 -4.71 120.51 125.92 1ffy n ALA 59 Ca 0.07 -2.76 -0.02 0.00 0.00 0.00 0.00 53.44 50.73 1ffy n ALA 59 Cb 0.50 -3.25 -0.05 0.00 0.00 0.00 0.00 19.45 16.65 1ffy n ALA 59 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ffy s ASN 60 N 3.40 -0.94 0.00 0.00 3.04 -1.26 -4.67 114.94 114.51 1ffy s ASN 60 Ca 0.50 1.34 0.00 0.00 0.04 0.00 0.00 52.86 54.74 1ffy s ASN 60 Cb 0.13 1.91 0.00 0.00 -1.54 0.00 0.00 41.25 41.75 1ffy s ASN 60 CO -0.02 -0.19 0.00 0.61 -3.04 0.00 0.00 177.10 174.46 1ffy n GLY 61 N 4.99 -2.58 3.88 1.21 0.00 -1.26 -4.98 105.19 106.44 1ffy n GLY 61 Ca -0.13 -1.92 -0.35 0.00 0.00 0.00 0.00 46.02 43.61 1ffy n GLY 61 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ffy s ASN 62 N -2.66 6.53 0.46 1.61 0.02 -1.26 -4.84 114.94 114.79 1ffy s ASN 62 Ca 0.00 0.61 -0.25 0.00 -1.02 0.00 0.00 52.86 52.20 1ffy s ASN 62 Cb 0.00 -2.11 -0.08 0.00 0.02 0.00 0.00 41.25 39.08 1ffy s ASN 62 CO 0.00 0.29 1.38 -0.76 0.02 0.00 0.00 177.10 178.03 1ffy s LEU 63 N -1.55 4.08 0.48 0.60 1.43 -1.26 -5.02 118.68 117.44 1ffy s LEU 63 Ca 0.25 2.82 0.06 0.00 -1.03 0.00 0.00 54.13 56.22 1ffy s LEU 63 Cb -0.13 -4.00 -0.01 0.00 0.03 0.00 0.00 46.19 42.07 1ffy s LEU 63 CO 0.14 -1.18 0.25 -1.38 0.23 0.00 0.00 176.35 174.41 1ffy s HIS 64 N -1.25 2.11 0.55 0.29 -3.43 -1.26 -4.62 115.29 107.68 1ffy s HIS 64 Ca 0.62 -0.74 0.28 0.00 -0.80 0.00 0.00 55.06 54.42 1ffy s HIS 64 Cb -0.41 -1.90 1.46 0.00 -1.43 0.00 0.00 32.58 30.29 1ffy s HIS 64 CO 0.52 -0.09 1.95 1.98 -2.00 0.00 0.00 174.74 177.11 1ffy h MET 65 N 1.12 0.00 -0.68 -0.38 4.05 -1.94 -0.96 114.93 116.15 1ffy h MET 65 Ca -0.41 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 58.94 1ffy h MET 65 Cb 1.28 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.06 1ffy h MET 65 CO 0.65 0.00 0.11 0.78 0.23 0.00 0.00 176.91 178.68 1ffy h GLY 66 N 0.00 1.20 1.08 1.39 0.00 -1.95 -0.36 103.07 104.43 1ffy h GLY 66 Ca 0.28 -0.79 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 1ffy h GLY 66 CO -0.00 0.74 0.39 0.45 0.00 0.00 0.00 176.54 178.11 1ffy h HIS 67 N 1.04 1.19 -0.01 5.60 -0.00 -1.56 -1.42 115.15 119.99 1ffy h HIS 67 Ca 0.21 -0.06 -0.00 0.00 -0.00 0.00 0.00 60.37 60.51 1ffy h HIS 67 Cb 0.44 -0.37 -0.00 0.00 -0.00 0.00 0.00 27.41 27.48 1ffy h HIS 67 CO 0.03 0.87 0.00 0.00 -0.00 0.00 0.00 177.93 178.83 1ffy h ALA 68 N 1.25 0.02 -0.00 2.45 0.00 -1.40 -0.20 119.26 121.37 1ffy h ALA 68 Ca 0.28 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1ffy h ALA 68 Cb 0.13 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1ffy h ALA 68 CO -0.03 -0.34 -0.20 1.25 0.00 0.00 0.00 179.25 179.92 1ffy h LEU 69 N -0.24 -0.59 -0.55 0.00 5.85 -0.94 -0.24 115.31 118.60 1ffy h LEU 69 Ca 0.00 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1ffy h LEU 69 Cb 0.27 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1ffy h LEU 69 CO 0.00 -0.27 0.34 -1.13 -0.34 0.00 0.00 178.44 177.04 1ffy h ASN 70 N -0.32 0.65 0.14 1.25 -0.73 -1.24 -1.39 115.58 113.94 1ffy h ASN 70 Ca 0.06 -0.05 -0.20 0.00 1.87 0.00 0.00 56.30 57.99 1ffy h ASN 70 Cb 0.40 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.83 1ffy h ASN 70 CO -0.19 0.50 -0.75 0.50 -0.37 0.00 0.00 177.43 177.12 1ffy h LYS 71 N 0.74 0.52 -0.23 6.67 1.63 -0.90 -2.52 116.57 122.48 1ffy h LYS 71 Ca 0.20 -0.43 -0.14 0.00 -0.85 0.00 0.00 60.65 59.42 1ffy h LYS 71 Cb -0.04 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 1ffy h LYS 71 CO -0.04 1.06 -0.44 0.82 -3.45 0.00 0.00 179.45 177.40 1ffy h ILE 72 N 0.36 1.31 -0.44 2.00 2.04 -0.94 -1.62 117.51 120.21 1ffy h ILE 72 Ca -0.04 -1.64 -0.07 0.00 1.00 0.00 0.00 64.86 64.12 1ffy h ILE 72 Cb 1.35 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 39.02 1ffy h ILE 72 CO 0.14 0.51 -0.00 -0.07 0.00 0.00 0.00 178.15 178.73 1ffy h LEU 73 N 0.46 0.76 -0.52 1.44 3.38 -1.24 -1.41 115.31 118.17 1ffy h LEU 73 Ca 0.03 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.74 1ffy h LEU 73 Cb 0.96 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 1ffy h LEU 73 CO 0.09 0.88 0.26 0.11 0.09 0.00 0.00 178.44 179.87 1ffy h LYS 74 N 0.61 0.50 -0.62 1.13 1.57 -1.26 -2.20 116.57 116.30 1ffy h LYS 74 Ca 0.12 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1ffy h LYS 74 Cb 0.49 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1ffy h LYS 74 CO 0.02 0.33 0.16 0.22 -0.57 0.00 0.00 179.45 179.61 1ffy h ASP 75 N 0.51 0.90 0.12 0.86 3.58 -1.11 -1.13 116.42 120.14 1ffy h ASP 75 Ca 0.23 -0.17 0.02 0.00 0.42 0.00 0.00 57.03 57.53 1ffy h ASP 75 Cb 0.14 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 40.92 1ffy h ASP 75 CO -0.16 0.87 -0.29 -0.26 -2.88 0.00 0.00 179.24 176.51 1ffy h PHE 76 N 0.92 -0.79 0.03 0.28 0.05 -0.70 0.06 116.94 116.79 1ffy h PHE 76 Ca 0.20 0.02 0.03 0.00 3.82 0.00 0.00 57.97 62.03 1ffy h PHE 76 Cb 0.32 0.33 -0.04 0.00 2.00 0.00 0.00 35.95 38.56 1ffy h PHE 76 CO 0.02 -0.40 -0.24 0.82 -0.18 0.00 0.00 178.31 178.33 1ffy h ILE 77 N -0.51 0.45 -0.56 -0.55 2.04 -0.99 -0.10 117.51 117.28 1ffy h ILE 77 Ca 0.03 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.80 1ffy h ILE 77 Cb 0.54 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1ffy h ILE 77 CO -0.17 0.00 -0.01 0.58 0.00 0.00 0.00 178.15 178.54 1ffy h VAL 78 N -0.40 1.26 -0.47 1.67 2.07 -1.13 -1.19 116.25 118.07 1ffy h VAL 78 Ca 0.05 -1.13 -0.05 0.00 0.82 0.00 0.00 66.70 66.40 1ffy h VAL 78 Cb 0.46 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1ffy h VAL 78 CO -0.20 0.41 0.10 0.03 0.02 0.00 0.00 177.57 177.93 1ffy h ARG 79 N 0.90 0.75 -0.40 1.57 3.08 -0.77 0.22 114.38 119.74 1ffy h ARG 79 Ca 0.16 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 1ffy h ARG 79 Cb 0.54 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1ffy h ARG 79 CO 0.03 0.75 0.06 -0.92 -1.07 0.00 0.00 179.97 178.82 1ffy h TYR 80 N 0.63 0.70 -0.69 3.04 3.20 -0.87 0.74 116.97 123.73 1ffy h TYR 80 Ca 0.15 -0.10 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 1ffy h TYR 80 Cb 0.34 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 1ffy h TYR 80 CO 0.02 0.69 0.19 0.87 -1.64 0.00 0.00 178.16 178.29 1ffy h LYS 81 N 0.51 1.09 -0.71 1.82 1.79 -1.04 -2.12 116.57 117.91 1ffy h LYS 81 Ca 0.12 -0.25 0.02 0.00 -2.18 0.00 0.00 60.65 58.37 1ffy h LYS 81 Cb 0.37 -0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 30.83 1ffy h LYS 81 CO 0.01 0.95 0.45 1.15 -1.08 0.00 0.00 179.45 180.93 1ffy h THR 82 N 1.02 1.12 0.00 -0.16 2.02 -0.28 -0.55 112.91 116.08 1ffy h THR 82 Ca 0.22 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1ffy h THR 82 Cb 0.34 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1ffy h THR 82 CO -0.00 0.16 0.00 0.23 0.37 0.00 0.00 175.52 176.28 1ffy n MET 83 N -4.64 0.16 -0.42 6.66 2.81 0.23 -1.23 117.12 120.68 1ffy n MET 83 Ca 0.07 0.16 0.08 0.00 -1.81 0.00 0.00 57.70 56.21 1ffy n MET 83 Cb 0.07 -1.50 0.27 0.00 -0.71 0.00 0.00 33.22 31.35 1ffy n MET 83 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1ffy n GLN 84 N -1.35 3.23 -0.71 0.03 1.13 -0.31 -1.89 117.38 117.51 1ffy n GLN 84 Ca 0.06 -2.60 0.00 0.00 -1.94 0.00 0.00 57.00 52.52 1ffy n GLN 84 Cb 0.15 -1.66 0.00 0.00 0.11 0.00 0.00 30.24 28.83 1ffy n GLN 84 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ffy n GLY 85 N 0.62 0.74 3.77 1.08 0.00 -0.37 -5.05 105.19 105.99 1ffy n GLY 85 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 1ffy n GLY 85 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ffy s PHE 86 N -2.66 3.85 -0.63 1.61 0.40 -0.63 -4.61 117.98 115.32 1ffy s PHE 86 Ca 0.00 1.82 -0.28 0.00 -0.60 0.00 0.00 56.93 57.87 1ffy s PHE 86 Cb 0.00 -2.93 0.03 0.00 0.51 0.00 0.00 43.02 40.63 1ffy s PHE 86 CO 0.00 0.36 1.26 -0.47 0.70 0.00 0.00 175.22 177.07 1ffy s TYR 87 N -1.36 2.45 -0.53 0.36 5.04 0.03 -4.24 117.35 119.10 1ffy s TYR 87 Ca 0.44 0.28 0.04 0.00 -2.44 0.00 0.00 57.07 55.39 1ffy s TYR 87 Cb -0.22 -4.53 0.15 0.00 0.35 0.00 0.00 41.96 37.71 1ffy s TYR 87 CO 0.28 -1.81 0.35 0.00 -1.34 0.00 0.00 175.55 173.03 1ffy s ALA 88 N 5.41 2.60 0.16 3.97 0.00 -1.26 -1.35 121.76 131.30 1ffy s ALA 88 Ca 0.42 -3.02 -0.30 0.00 0.00 0.00 0.00 51.96 49.06 1ffy s ALA 88 Cb -0.08 -1.93 -0.08 0.00 0.00 0.00 0.00 23.12 21.04 1ffy s ALA 88 CO 0.22 -2.05 1.17 -1.25 0.00 0.00 0.00 175.76 173.85 1ffy s PRO 89 N -0.37 4.51 -0.26 0.00 0.04 -1.26 -4.96 135.00 132.70 1ffy s PRO 89 Ca 0.24 1.81 0.02 0.00 0.04 0.00 0.00 61.00 63.11 1ffy s PRO 89 Cb -0.11 -3.27 0.05 0.00 0.04 0.00 0.00 34.50 31.22 1ffy s PRO 89 CO -0.10 -0.07 -0.10 -0.47 0.04 0.00 0.00 177.00 176.30 1ffy s TYR 90 N 0.07 3.21 -0.28 0.56 5.04 -1.26 -4.46 117.35 120.22 1ffy s TYR 90 Ca 0.53 -2.14 -0.02 0.00 -2.44 0.00 0.00 57.07 52.99 1ffy s TYR 90 Cb -0.31 -1.96 0.04 0.00 0.35 0.00 0.00 41.96 40.07 1ffy s TYR 90 CO 0.35 -0.85 -0.02 0.14 -1.34 0.00 0.00 175.55 173.83 1ffy s VAL 91 N 1.16 3.01 0.81 3.14 -7.23 -1.26 -1.13 120.40 118.90 1ffy s VAL 91 Ca -0.06 -1.19 -0.11 0.00 -1.81 0.00 0.00 61.98 58.81 1ffy s VAL 91 Cb -0.19 -2.63 0.08 0.00 0.56 0.00 0.00 36.38 34.19 1ffy s VAL 91 CO -0.05 0.03 1.09 -2.84 -0.31 0.00 0.00 175.10 173.02 1ffy s PRO 92 N 1.30 1.96 0.15 4.82 0.02 -1.26 -4.35 135.00 137.64 1ffy s PRO 92 Ca -0.02 1.04 -0.02 0.00 0.02 0.00 0.00 61.00 62.01 1ffy s PRO 92 Cb -0.18 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.43 1ffy s PRO 92 CO -0.02 -1.82 0.10 0.20 -0.33 0.00 0.00 177.00 175.13 1ffy s GLY 93 N -3.43 1.06 -0.02 0.52 0.00 -1.26 -1.68 107.32 102.51 1ffy s GLY 93 Ca 0.62 -1.48 0.01 0.00 0.00 0.00 0.00 44.72 43.87 1ffy s GLY 93 CO 0.56 -1.32 -0.01 -0.98 0.00 0.00 0.00 173.10 171.35 1ffy s TRP 94 N -4.07 0.28 -0.34 1.90 0.51 -0.62 -3.48 118.94 113.12 1ffy s TRP 94 Ca 0.27 -0.02 -0.22 0.00 -2.12 0.00 0.00 56.10 54.01 1ffy s TRP 94 Cb 0.07 -0.29 0.00 0.00 -0.81 0.00 0.00 33.47 32.44 1ffy s TRP 94 CO 0.04 -0.07 0.74 0.34 -0.51 0.00 0.00 176.95 177.49 1ffy s ASP 95 N 0.51 6.56 0.00 2.95 2.15 0.52 -1.75 116.67 127.60 1ffy s ASP 95 Ca -0.05 0.42 0.05 0.00 0.43 0.00 0.00 52.55 53.41 1ffy s ASP 95 Cb -0.08 -2.38 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1ffy s ASP 95 CO -0.01 -0.64 0.47 0.35 -0.17 0.00 0.00 175.17 175.18 1ffy n THR 96 N 5.62 0.00 -3.05 1.71 -2.24 -1.26 -0.58 114.28 114.48 1ffy n THR 96 Ca 0.02 -0.45 -0.05 0.00 -2.27 0.00 0.00 64.05 61.31 1ffy n THR 96 Cb 0.48 1.07 0.01 0.00 -2.10 0.00 0.00 70.33 69.79 1ffy n THR 96 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ffy n HIS 97 N -0.32 -2.73 0.00 4.78 8.25 -1.26 -4.90 115.22 119.04 1ffy n HIS 97 Ca 0.02 -0.50 0.00 0.00 -0.26 0.00 0.00 57.72 56.98 1ffy n HIS 97 Cb 0.11 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1ffy n HIS 97 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ffy n GLY 98 N 3.34 2.75 0.13 -1.41 0.00 -0.87 -4.76 105.19 104.37 1ffy n GLY 98 Ca 0.04 -1.86 -0.08 0.00 0.00 0.00 0.00 46.02 44.12 1ffy n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ffy h LEU 99 N 0.00 0.16 -0.99 0.99 5.85 -1.99 -2.85 115.31 116.48 1ffy h LEU 99 Ca 0.00 0.02 0.31 0.00 0.84 0.00 0.00 57.88 59.04 1ffy h LEU 99 Cb 0.00 -0.01 -0.15 0.00 0.37 0.00 0.00 40.66 40.87 1ffy h LEU 99 CO 0.00 0.13 0.55 -0.65 -0.34 0.00 0.00 178.44 178.13 1ffy h PRO 100 N 0.26 0.34 -0.04 5.25 0.11 -1.99 0.20 132.00 136.13 1ffy h PRO 100 Ca 0.11 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 65.96 1ffy h PRO 100 Cb 0.05 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.10 1ffy h PRO 100 CO -0.09 0.23 -0.94 0.82 -0.21 0.00 0.00 178.00 177.80 1ffy h ILE 101 N 0.35 1.31 -0.65 4.15 2.04 -1.80 -1.29 117.51 121.62 1ffy h ILE 101 Ca 0.71 -2.21 0.03 0.00 1.00 0.00 0.00 64.86 64.39 1ffy h ILE 101 Cb 1.57 2.27 -0.04 0.00 -0.74 0.00 0.00 36.82 39.88 1ffy h ILE 101 CO -0.59 0.68 0.39 -0.33 0.00 0.00 0.00 178.15 178.30 1ffy h GLU 102 N 0.39 0.74 -0.26 2.37 5.08 -0.69 -2.12 114.58 120.09 1ffy h GLU 102 Ca -0.09 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1ffy h GLU 102 Cb 1.58 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 1ffy h GLU 102 CO 0.18 0.49 0.13 1.96 -1.00 0.00 0.00 179.01 180.77 1ffy h GLN 103 N 0.76 0.37 -0.91 2.33 4.20 -0.62 -1.51 115.11 119.72 1ffy h GLN 103 Ca 0.27 -0.05 0.14 0.00 0.06 0.00 0.00 58.65 59.07 1ffy h GLN 103 Cb 0.06 -0.07 -0.09 0.00 0.30 0.00 0.00 27.48 27.68 1ffy h GLN 103 CO -0.12 0.34 0.52 0.00 -0.67 0.00 0.00 178.83 178.90 1ffy h ALA 104 N 1.00 1.39 -0.15 3.87 0.00 -0.78 0.44 119.26 125.04 1ffy h ALA 104 Ca 0.09 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ffy h ALA 104 Cb 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1ffy h ALA 104 CO -0.01 0.01 0.01 -0.07 0.00 0.00 0.00 179.25 179.18 1ffy h LEU 105 N 0.75 0.25 -0.49 0.00 3.38 -0.97 0.11 115.31 118.34 1ffy h LEU 105 Ca 0.48 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 58.19 1ffy h LEU 105 Cb 0.63 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1ffy h LEU 105 CO -0.33 0.48 0.28 0.74 0.09 0.00 0.00 178.44 179.70 1ffy h THR 106 N 0.00 1.02 0.00 0.22 2.02 -0.15 0.74 112.91 116.76 1ffy h THR 106 Ca 0.04 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 1ffy h THR 106 Cb 0.35 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1ffy h THR 106 CO 0.01 0.10 -0.19 0.50 0.37 0.00 0.00 175.52 176.31 1ffy h LYS 107 N 0.55 0.00 0.00 6.66 3.64 -0.10 -0.44 116.57 126.88 1ffy h LYS 107 Ca 0.20 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1ffy h LYS 107 Cb 0.05 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1ffy h LYS 107 CO -0.11 0.19 -0.06 -0.22 -2.27 0.00 0.00 179.45 176.98 1ffy h LYS 108 N 0.00 0.00 0.00 1.90 3.64 0.15 -3.47 116.57 118.79 1ffy h LYS 108 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ffy h LYS 108 Cb 0.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1ffy h LYS 108 CO 0.02 0.06 0.00 0.41 -2.27 0.00 0.00 179.45 177.67 1ffy n GLY 109 N 0.48 1.46 0.24 5.01 0.00 -0.18 -5.05 105.19 107.17 1ffy n GLY 109 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 1ffy n GLY 109 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ffy h VAL 110 N 0.00 0.24 -3.42 1.61 2.07 -1.38 -3.49 116.25 111.88 1ffy h VAL 110 Ca 0.00 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1ffy h VAL 110 Cb 0.00 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1ffy h VAL 110 CO 0.00 0.05 -0.27 -0.67 0.02 0.00 0.00 177.57 176.70 1ffy n ASP 111 N -5.15 -2.34 0.03 0.57 2.03 -1.26 -4.97 116.55 105.46 1ffy n ASP 111 Ca -0.08 0.28 -0.04 0.00 0.52 0.00 0.00 54.79 55.47 1ffy n ASP 111 Cb 0.26 -1.88 -0.02 0.00 -0.72 0.00 0.00 41.12 38.76 1ffy n ASP 111 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1ffy h ARG 112 N 0.74 -0.17 -5.08 -0.67 3.08 -1.97 -3.32 114.38 107.00 1ffy h ARG 112 Ca -0.07 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1ffy h ARG 112 Cb 0.15 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1ffy h ARG 112 CO 0.01 -0.11 0.16 1.63 -1.07 0.00 0.00 179.97 180.58 1ffy n LYS 113 N -3.12 0.10 0.00 0.04 5.02 -1.26 -1.57 118.16 117.37 1ffy n LYS 113 Ca -0.02 -1.42 0.00 0.00 -2.02 0.00 0.00 58.31 54.85 1ffy n LYS 113 Cb 0.10 -3.50 0.00 0.00 -0.02 0.00 0.00 35.03 31.60 1ffy n LYS 113 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ffy n LYS 114 N 7.62 0.00 0.00 1.97 4.81 -1.25 -5.03 118.16 126.29 1ffy n LYS 114 Ca 0.36 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 1ffy n LYS 114 Cb 0.47 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.52 1ffy n LYS 114 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ffy n MET 115 N 0.00 0.00 0.00 1.64 0.00 -0.61 -5.11 117.12 113.04 1ffy n MET 115 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1ffy n MET 115 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1ffy n MET 115 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1ffy n SER 116 N -0.07 0.00 -0.02 3.17 3.41 -1.25 -4.33 113.62 114.52 1ffy n SER 116 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 1ffy n SER 116 Cb 0.00 0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 1ffy n SER 116 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1ffy h THR 117 N 0.00 0.31 -0.59 6.66 2.02 -1.95 -1.39 112.91 117.97 1ffy h THR 117 Ca 0.00 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.30 1ffy h THR 117 Cb 0.00 0.31 -0.10 0.00 -1.74 0.00 0.00 68.15 66.62 1ffy h THR 117 CO 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 175.88 1ffy h ALA 118 N 0.56 0.56 -0.08 6.16 0.00 -1.87 0.33 119.26 124.92 1ffy h ALA 118 Ca 0.11 0.18 -0.15 0.00 0.00 0.00 0.00 54.91 55.06 1ffy h ALA 118 Cb 0.52 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1ffy h ALA 118 CO -0.38 -0.39 -0.61 0.93 0.00 0.00 0.00 179.25 178.80 1ffy h GLU 119 N 0.11 0.28 -0.24 0.00 5.08 -1.67 -2.60 114.58 115.53 1ffy h GLU 119 Ca 0.30 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 1ffy h GLU 119 Cb 0.48 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1ffy h GLU 119 CO -0.51 0.80 -0.23 0.35 -1.00 0.00 0.00 179.01 178.42 1ffy h PHE 120 N 0.21 0.69 -0.85 4.33 3.57 -0.27 -2.40 116.94 122.23 1ffy h PHE 120 Ca -0.01 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.29 1ffy h PHE 120 Cb 1.12 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.67 1ffy h PHE 120 CO 0.03 0.90 0.55 0.00 -2.23 0.00 0.00 178.31 177.56 1ffy h ARG 121 N 0.28 1.13 -0.22 1.11 3.08 -0.36 -0.45 114.38 118.95 1ffy h ARG 121 Ca 0.04 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 1ffy h ARG 121 Cb 0.78 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1ffy h ARG 121 CO 0.06 0.76 -0.24 0.93 -1.07 0.00 0.00 179.97 180.41 1ffy h GLU 122 N 1.16 0.42 -0.70 0.04 4.39 -1.40 -1.22 114.58 117.27 1ffy h GLU 122 Ca 0.31 -0.15 -0.07 0.00 0.34 0.00 0.00 59.36 59.79 1ffy h GLU 122 Cb -0.11 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.48 1ffy h GLU 122 CO -0.06 0.63 0.15 0.87 -1.16 0.00 0.00 179.01 179.44 1ffy h LYS 123 N 0.37 1.13 -0.32 2.33 1.79 -0.70 -0.57 116.57 120.61 1ffy h LYS 123 Ca 0.06 -0.28 -0.02 0.00 -2.18 0.00 0.00 60.65 58.23 1ffy h LYS 123 Cb 0.63 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 1ffy h LYS 123 CO 0.04 1.01 0.13 0.00 -1.08 0.00 0.00 179.45 179.55 1ffy h LYS 125 N 0.37 -0.16 -0.90 0.00 3.64 -1.00 0.34 116.57 118.86 1ffy h LYS 125 Ca 0.11 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.65 1ffy h LYS 125 Cb 0.18 0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 31.94 1ffy h LYS 125 CO -0.01 -0.10 0.50 1.49 -2.27 0.00 0.00 179.45 179.06 1ffy h GLU 126 N -0.16 0.68 -0.24 1.90 4.81 -0.99 -0.53 114.58 120.04 1ffy h GLU 126 Ca 0.03 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1ffy h GLU 126 Cb 0.19 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1ffy h GLU 126 CO -0.07 0.45 -0.13 0.35 -0.73 0.00 0.00 179.01 178.87 1ffy h PHE 127 N 0.70 0.58 -0.55 0.92 3.57 -0.66 -2.50 116.94 119.01 1ffy h PHE 127 Ca 0.49 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.86 1ffy h PHE 127 Cb 0.69 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 1ffy h PHE 127 CO -0.06 0.78 0.35 0.00 -2.23 0.00 0.00 178.31 177.15 1ffy h ALA 128 N 0.71 0.70 -0.46 2.41 0.00 0.02 -1.57 119.26 121.07 1ffy h ALA 128 Ca 0.05 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1ffy h ALA 128 Cb 0.64 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1ffy h ALA 128 CO 0.04 0.10 0.04 -0.07 0.00 0.00 0.00 179.25 179.35 1ffy h LEU 129 N 0.70 0.68 -0.19 0.00 3.38 -1.13 -0.61 115.31 118.15 1ffy h LEU 129 Ca 0.21 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1ffy h LEU 129 Cb -0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1ffy h LEU 129 CO -0.07 0.72 0.04 -0.33 0.09 0.00 0.00 178.44 178.90 1ffy h GLU 130 N 0.69 0.30 -0.98 1.13 5.08 -0.97 -1.98 114.58 117.85 1ffy h GLU 130 Ca 0.14 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1ffy h GLU 130 Cb 0.37 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 1ffy h GLU 130 CO 0.01 0.44 0.65 1.96 -1.00 0.00 0.00 179.01 181.07 1ffy h GLN 131 N 0.11 1.26 -0.07 2.33 1.08 -1.00 -2.40 115.11 116.43 1ffy h GLN 131 Ca 0.06 -0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1ffy h GLN 131 Cb 0.27 -0.29 -0.00 0.00 -0.05 0.00 0.00 27.48 27.41 1ffy h GLN 131 CO 0.00 0.84 0.04 0.82 -0.95 0.00 0.00 178.83 179.58 1ffy h ILE 132 N 1.30 1.05 -0.53 2.54 2.04 -0.95 -0.90 117.51 122.07 1ffy h ILE 132 Ca 0.37 -0.14 0.10 0.00 1.00 0.00 0.00 64.86 66.19 1ffy h ILE 132 Cb -0.10 1.02 -0.08 0.00 -0.74 0.00 0.00 36.82 36.92 1ffy h ILE 132 CO -0.09 0.04 0.08 -0.33 0.00 0.00 0.00 178.15 177.85 1ffy h GLU 133 N 0.05 0.20 -0.08 2.37 4.39 -0.88 0.56 114.58 121.19 1ffy h GLU 133 Ca 0.02 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1ffy h GLU 133 Cb 0.04 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1ffy h GLU 133 CO -0.00 0.13 0.05 -0.07 -1.16 0.00 0.00 179.01 177.96 1ffy h LEU 134 N 0.21 0.09 -0.70 1.33 3.38 -1.17 -1.53 115.31 116.92 1ffy h LEU 134 Ca 0.27 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 1ffy h LEU 134 Cb 0.39 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1ffy h LEU 134 CO -0.38 0.07 0.19 1.56 0.09 0.00 0.00 178.44 179.98 1ffy h GLN 135 N 0.11 1.10 -0.67 1.13 4.20 -0.36 -2.40 115.11 118.22 1ffy h GLN 135 Ca 0.03 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.49 1ffy h GLN 135 Cb -0.01 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.58 1ffy h GLN 135 CO -0.01 0.96 0.42 -0.22 -0.67 0.00 0.00 178.83 179.31 1ffy h LYS 136 N 1.03 0.90 -0.02 1.46 3.64 0.30 -0.23 116.57 123.66 1ffy h LYS 136 Ca 0.22 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1ffy h LYS 136 Cb 0.33 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1ffy h LYS 136 CO -0.00 0.62 0.01 -0.22 -2.27 0.00 0.00 179.45 177.58 1ffy h LYS 137 N 0.92 0.02 -0.56 1.90 3.64 -0.85 -1.78 116.57 119.86 1ffy h LYS 137 Ca 0.24 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1ffy h LYS 137 Cb -0.06 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1ffy h LYS 137 CO -0.05 0.11 0.20 -0.44 -2.27 0.00 0.00 179.45 177.00 1ffy h ASP 138 N -0.08 0.81 -0.43 4.20 3.32 -0.93 -1.82 116.42 121.48 1ffy h ASP 138 Ca 0.01 -0.19 0.03 0.00 0.02 0.00 0.00 57.03 56.89 1ffy h ASP 138 Cb 0.10 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1ffy h ASP 138 CO -0.00 0.78 0.23 -0.26 -1.72 0.00 0.00 179.24 178.27 1ffy h PHE 139 N 0.78 0.42 0.00 4.55 0.05 -0.96 -2.20 116.94 119.58 1ffy h PHE 139 Ca 0.18 0.02 -0.05 0.00 3.82 0.00 0.00 57.97 61.94 1ffy h PHE 139 Cb 0.25 -0.13 -0.01 0.00 2.00 0.00 0.00 35.95 38.07 1ffy h PHE 139 CO 0.01 0.22 -0.24 0.00 -0.18 0.00 0.00 178.31 178.12 1ffy h ARG 140 N 0.46 0.00 0.00 1.51 3.08 -1.10 -1.70 114.38 116.63 1ffy h ARG 140 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1ffy h ARG 140 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1ffy h ARG 140 CO -0.12 0.24 0.00 -2.13 -1.07 0.00 0.00 179.97 176.90 1ffy n ARG 141 N -3.87 0.04 0.00 0.04 3.00 -0.71 -1.72 116.66 113.45 1ffy n ARG 141 Ca -0.02 0.25 0.14 0.00 -0.00 0.00 0.00 57.85 58.22 1ffy n ARG 141 Cb 0.33 -1.57 0.53 0.00 0.00 0.00 0.00 32.46 31.75 1ffy n ARG 141 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1ffy n LEU 142 N -1.65 0.84 0.00 6.15 4.77 -0.64 -4.66 117.00 121.82 1ffy n LEU 142 Ca 0.04 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1ffy n LEU 142 Cb 0.21 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1ffy n LEU 142 CO 0.17 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1ffy n GLY 143 N 1.26 0.69 3.74 -0.72 0.00 -0.70 -4.85 105.19 104.61 1ffy n GLY 143 Ca 0.15 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1ffy n GLY 143 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ffy s VAL 144 N -2.00 3.83 -0.21 1.61 1.01 -1.25 -5.02 120.40 118.37 1ffy s VAL 144 Ca 0.00 1.55 -0.08 0.00 0.00 0.00 0.00 61.98 63.45 1ffy s VAL 144 Cb 0.00 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1ffy s VAL 144 CO 0.00 0.26 0.09 -0.60 0.00 0.00 0.00 175.10 174.84 1ffy s ARG 145 N -0.27 3.91 0.05 2.72 3.52 -1.26 -4.73 118.95 122.89 1ffy s ARG 145 Ca 0.50 -0.36 -0.28 0.00 -0.13 0.00 0.00 55.73 55.46 1ffy s ARG 145 Cb -0.30 -3.31 0.09 0.00 -1.56 0.00 0.00 34.95 29.87 1ffy s ARG 145 CO 0.35 0.11 1.09 0.20 -0.81 0.00 0.00 175.30 176.23 1ffy s GLY 146 N 0.84 -0.32 -1.05 8.12 0.00 -1.26 -4.87 107.32 108.78 1ffy s GLY 146 Ca 0.04 0.51 -0.07 0.00 0.00 0.00 0.00 44.72 45.21 1ffy s GLY 146 CO 0.02 0.11 2.48 1.34 0.00 0.00 0.00 173.10 177.05 1ffy n ASP 147 N -0.43 6.10 0.20 1.64 -0.08 -0.28 -4.57 116.55 119.13 1ffy n ASP 147 Ca -0.07 -2.39 0.14 0.00 -1.51 0.00 0.00 54.79 50.96 1ffy n ASP 147 Cb 0.61 -1.24 0.65 0.00 2.34 0.00 0.00 41.12 43.48 1ffy n ASP 147 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1ffy h PHE 148 N 5.57 0.00 0.00 -0.67 -1.00 -1.94 -2.15 116.94 116.75 1ffy h PHE 148 Ca 0.58 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.36 1ffy h PHE 148 Cb 0.31 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.87 1ffy h PHE 148 CO 1.89 0.00 -0.54 -0.91 -1.61 0.00 0.00 178.31 177.14 1ffy h ASN 149 N 0.00 0.00 -1.82 2.17 2.35 -2.01 -3.38 115.58 112.89 1ffy h ASN 149 Ca 0.00 -0.13 -0.47 0.00 -0.55 0.00 0.00 56.30 55.15 1ffy h ASN 149 Cb 0.26 0.00 -0.38 0.00 0.05 0.00 0.00 38.32 38.25 1ffy h ASN 149 CO 0.00 0.06 -1.12 -0.67 -1.65 0.00 0.00 177.43 174.06 1ffy n ASP 150 N -2.32 0.43 -4.85 5.81 2.03 -0.85 -5.13 116.55 111.68 1ffy n ASP 150 Ca 0.03 -3.01 -0.32 0.00 0.52 0.00 0.00 54.79 52.01 1ffy n ASP 150 Cb 0.46 -0.40 -0.01 0.00 -0.72 0.00 0.00 41.12 40.46 1ffy n ASP 150 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1ffy s PRO 151 N -1.97 3.71 0.33 -0.67 0.04 -0.98 -4.93 135.00 130.53 1ffy s PRO 151 Ca 0.38 0.89 -0.20 0.00 0.04 0.00 0.00 61.00 62.10 1ffy s PRO 151 Cb 0.31 -2.10 -0.10 0.00 0.04 0.00 0.00 34.50 32.66 1ffy s PRO 151 CO -0.09 -0.47 0.85 1.52 0.04 0.00 0.00 177.00 178.85 1ffy s TYR 152 N -2.86 3.49 -0.02 0.56 -0.85 -0.68 -4.98 117.35 112.01 1ffy s TYR 152 Ca 0.58 1.51 0.00 0.00 -0.52 0.00 0.00 57.07 58.64 1ffy s TYR 152 Cb -0.11 -2.74 0.02 0.00 0.38 0.00 0.00 41.96 39.51 1ffy s TYR 152 CO 0.42 0.11 0.02 0.42 -1.52 0.00 0.00 175.55 175.01 1ffy s ILE 153 N -1.86 -0.03 -0.69 -3.49 1.01 -1.26 -1.59 121.20 113.28 1ffy s ILE 153 Ca 0.53 0.17 0.10 0.00 0.00 0.00 0.00 60.65 61.45 1ffy s ILE 153 Cb -0.13 -0.08 0.10 0.00 0.01 0.00 0.00 42.46 42.36 1ffy s ILE 153 CO 0.18 0.08 1.32 0.35 0.00 0.00 0.00 174.94 176.87 1ffy n THR 154 N 3.97 1.50 0.78 2.92 -2.24 -0.72 -1.59 114.28 118.91 1ffy n THR 154 Ca -0.25 0.54 0.12 0.00 -2.27 0.00 0.00 64.05 62.19 1ffy n THR 154 Cb 0.52 -1.51 0.21 0.00 -2.10 0.00 0.00 70.33 67.45 1ffy n THR 154 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ffy n LEU 155 N -1.81 2.93 -4.74 3.22 -0.00 -1.26 -4.35 117.00 111.00 1ffy n LEU 155 Ca -0.00 -1.13 -0.41 0.00 -0.00 0.00 0.00 56.01 54.47 1ffy n LEU 155 Cb 0.04 -0.12 -0.04 0.00 -0.00 0.00 0.00 43.42 43.31 1ffy n LEU 155 CO 0.06 0.57 0.78 -0.54 -0.00 0.00 0.00 177.39 178.25 1ffy s LYS 156 N -1.77 4.61 0.24 1.47 -0.14 -0.62 -4.87 119.74 118.67 1ffy s LYS 156 Ca 0.34 1.68 -0.11 0.00 -1.36 0.00 0.00 55.97 56.52 1ffy s LYS 156 Cb 0.21 -3.29 0.33 0.00 -1.68 0.00 0.00 37.83 33.41 1ffy s LYS 156 CO 0.31 0.11 1.60 -1.35 -0.76 0.00 0.00 175.35 175.25 1ffy h PRO 157 N 5.09 0.00 -0.21 -1.68 0.11 -1.86 -0.89 132.00 132.56 1ffy h PRO 157 Ca -0.44 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 1ffy h PRO 157 Cb 1.21 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1ffy h PRO 157 CO 0.72 0.00 -0.07 0.93 -0.21 0.00 0.00 178.00 179.37 1ffy h GLU 158 N 0.00 0.33 0.06 1.05 4.39 -1.82 -0.71 114.58 117.88 1ffy h GLU 158 Ca 0.38 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 60.01 1ffy h GLU 158 Cb 0.58 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1ffy h GLU 158 CO -0.81 0.41 -0.03 -0.92 -1.16 0.00 0.00 179.01 176.50 1ffy h TYR 159 N 0.31 -0.08 -0.60 4.33 3.20 -1.48 -2.63 116.97 120.02 1ffy h TYR 159 Ca 0.07 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.02 1ffy h TYR 159 Cb 0.33 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.56 1ffy h TYR 159 CO 0.01 0.47 0.26 0.93 -1.64 0.00 0.00 178.16 178.19 1ffy h GLU 160 N -0.72 0.45 -0.84 1.82 5.08 -1.01 -0.89 114.58 118.48 1ffy h GLU 160 Ca -0.01 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1ffy h GLU 160 Cb 0.59 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.69 1ffy h GLU 160 CO 0.01 0.30 0.54 0.00 -1.00 0.00 0.00 179.01 178.87 1ffy h ALA 161 N 1.38 1.09 -0.54 3.43 0.00 -1.18 -0.87 119.26 122.58 1ffy h ALA 161 Ca 0.29 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1ffy h ALA 161 Cb 0.31 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1ffy h ALA 161 CO -0.26 0.40 0.30 0.00 0.00 0.00 0.00 179.25 179.68 1ffy h ALA 162 N 1.34 0.69 -0.68 0.00 0.00 -0.91 -1.07 119.26 118.63 1ffy h ALA 162 Ca 0.33 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1ffy h ALA 162 Cb -0.03 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 1ffy h ALA 162 CO -0.10 0.21 0.40 0.37 0.00 0.00 0.00 179.25 180.13 1ffy h GLN 163 N 0.72 0.75 -0.44 0.00 4.15 -0.27 -0.65 115.11 119.37 1ffy h GLN 163 Ca 0.19 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.56 1ffy h GLN 163 Cb 0.04 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 1ffy h GLN 163 CO -0.03 0.49 0.25 0.82 -1.93 0.00 0.00 178.83 178.44 1ffy h ILE 164 N 0.77 1.15 -0.08 2.39 1.08 -0.75 -1.20 117.51 120.87 1ffy h ILE 164 Ca 0.29 -0.36 -0.01 0.00 -0.39 0.00 0.00 64.86 64.39 1ffy h ILE 164 Cb 0.10 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 34.44 1ffy h ILE 164 CO -0.14 0.15 0.01 0.03 -0.69 0.00 0.00 178.15 177.51 1ffy h ARG 165 N 0.58 0.11 -0.29 2.37 3.08 -0.26 0.15 114.38 120.12 1ffy h ARG 165 Ca 0.16 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.10 1ffy h ARG 165 Cb 0.02 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1ffy h ARG 165 CO -0.03 0.12 -0.18 0.82 -1.07 0.00 0.00 179.97 179.63 1ffy h ILE 166 N 0.11 1.30 -0.80 2.04 2.04 -0.29 -1.39 117.51 120.51 1ffy h ILE 166 Ca 0.03 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.59 1ffy h ILE 166 Cb 0.07 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 1ffy h ILE 166 CO -0.00 0.42 0.50 0.15 0.00 0.00 0.00 178.15 179.22 1ffy h PHE 167 N 0.38 1.04 -0.26 1.37 3.57 -0.03 -2.12 116.94 120.89 1ffy h PHE 167 Ca 0.06 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1ffy h PHE 167 Cb 0.72 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1ffy h PHE 167 CO 0.06 0.68 0.12 0.78 -2.23 0.00 0.00 178.31 177.72 1ffy h GLY 168 N 1.10 0.40 1.02 2.40 0.00 -0.57 -1.07 103.07 106.36 1ffy h GLY 168 Ca 0.29 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1ffy h GLY 168 CO -0.06 0.20 0.41 0.83 0.00 0.00 0.00 176.54 177.92 1ffy h GLU 169 N 0.28 1.12 -0.63 4.80 5.08 -1.02 -0.49 114.58 123.72 1ffy h GLU 169 Ca 0.09 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 1ffy h GLU 169 Cb 0.14 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1ffy h GLU 169 CO -0.01 0.85 0.03 0.52 -1.00 0.00 0.00 179.01 179.39 1ffy h MET 170 N 1.10 1.08 -0.40 2.33 2.86 -1.29 -2.09 114.93 118.52 1ffy h MET 170 Ca 0.27 -0.33 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 1ffy h MET 170 Cb 0.07 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 1ffy h MET 170 CO -0.04 1.04 0.10 0.00 1.06 0.00 0.00 176.91 179.07 1ffy h ALA 171 N 1.02 1.42 -0.27 6.32 0.00 -0.65 0.51 119.26 127.61 1ffy h ALA 171 Ca 0.18 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1ffy h ALA 171 Cb 0.53 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ffy h ALA 171 CO 0.03 0.42 -0.10 0.22 0.00 0.00 0.00 179.25 179.82 1ffy h ASP 172 N 0.58 0.56 0.00 0.00 1.82 -0.66 -2.30 116.42 116.41 1ffy h ASP 172 Ca 0.13 -0.39 0.00 0.00 -0.39 0.00 0.00 57.03 56.38 1ffy h ASP 172 Cb 0.22 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.08 1ffy h ASP 172 CO -0.00 0.82 0.00 0.29 -1.61 0.00 0.00 179.24 178.74 1ffy n LYS 173 N -4.48 0.70 -3.26 0.28 5.02 -0.83 -4.82 118.16 110.77 1ffy n LYS 173 Ca -0.04 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.09 1ffy n LYS 173 Cb 0.34 -1.06 0.07 0.00 -0.02 0.00 0.00 35.03 34.35 1ffy n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ffy n GLY 174 N 0.19 -0.21 0.42 0.72 0.00 -0.87 -4.93 105.19 100.51 1ffy n GLY 174 Ca 0.00 0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.10 1ffy n GLY 174 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ffy n LEU 175 N -3.81 1.81 -4.27 0.99 4.77 0.14 -4.92 117.00 111.71 1ffy n LEU 175 Ca -0.10 -0.94 -0.32 0.00 -0.03 0.00 0.00 56.01 54.62 1ffy n LEU 175 Cb 0.59 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.51 1ffy n LEU 175 CO 0.50 0.34 -0.54 -0.63 -1.33 0.00 0.00 177.39 175.73 1ffy s ILE 176 N -1.09 2.23 0.08 -0.08 1.01 -1.25 0.87 121.20 122.97 1ffy s ILE 176 Ca 0.13 -0.98 -0.16 0.00 0.00 0.00 0.00 60.65 59.64 1ffy s ILE 176 Cb 0.10 -1.85 0.03 0.00 0.01 0.00 0.00 42.46 40.75 1ffy s ILE 176 CO 0.18 0.56 0.37 -0.72 0.00 0.00 0.00 174.94 175.32 1ffy s TYR 177 N 0.08 -0.17 -0.08 3.97 -0.85 -0.93 -4.92 117.35 114.45 1ffy s TYR 177 Ca -0.10 -0.02 -0.05 0.00 -0.52 0.00 0.00 57.07 56.37 1ffy s TYR 177 Cb -0.16 0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.33 1ffy s TYR 177 CO 0.06 -0.60 0.15 0.21 -1.52 0.00 0.00 175.55 173.85 1ffy s LYS 178 N -3.09 3.43 0.00 -3.49 2.20 -1.26 -0.91 119.74 116.62 1ffy s LYS 178 Ca -0.01 -0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.40 1ffy s LYS 178 Cb 0.01 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.17 1ffy s LYS 178 CO -0.07 0.74 0.00 0.41 -0.36 0.00 0.00 175.35 176.08 1ffy n GLY 179 N 1.62 4.37 3.36 5.54 0.00 0.29 -4.97 105.19 115.39 1ffy n GLY 179 Ca -0.17 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 1ffy n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ffy s LYS 180 N 4.69 1.02 -0.04 1.61 1.02 -1.26 -2.33 119.74 124.45 1ffy s LYS 180 Ca 0.00 -0.38 -0.24 0.00 0.02 0.00 0.00 55.97 55.37 1ffy s LYS 180 Cb 0.00 0.46 0.05 0.00 -0.52 0.00 0.00 37.83 37.82 1ffy s LYS 180 CO 0.00 -0.38 0.53 0.21 -0.92 0.00 0.00 175.35 174.80 1ffy s LYS 181 N -2.80 0.89 0.33 1.68 2.20 0.26 -4.80 119.74 117.50 1ffy s LYS 181 Ca -0.03 0.11 -0.27 0.00 -0.36 0.00 0.00 55.97 55.42 1ffy s LYS 181 Cb -0.00 0.41 -0.09 0.00 -1.51 0.00 0.00 37.83 36.64 1ffy s LYS 181 CO -0.05 -0.26 1.03 -2.14 -0.36 0.00 0.00 175.35 173.57 1ffy s PRO 182 N -1.17 4.48 0.02 4.03 0.02 -1.26 0.10 135.00 141.22 1ffy s PRO 182 Ca -0.11 1.55 -0.10 0.00 0.02 0.00 0.00 61.00 62.35 1ffy s PRO 182 Cb -0.02 -2.88 0.01 0.00 0.02 0.00 0.00 34.50 31.63 1ffy s PRO 182 CO 0.07 0.14 0.21 0.14 -0.33 0.00 0.00 177.00 177.24 1ffy s VAL 183 N -1.45 0.09 0.11 3.83 -7.23 0.10 -4.87 120.40 110.97 1ffy s VAL 183 Ca 0.50 -0.72 -0.34 0.00 -1.81 0.00 0.00 61.98 59.62 1ffy s VAL 183 Cb -0.24 -0.71 -0.13 0.00 0.56 0.00 0.00 36.38 35.86 1ffy s VAL 183 CO 0.31 -0.40 1.67 -1.22 -0.31 0.00 0.00 175.10 175.15 1ffy n TYR 184 N 1.04 2.34 -4.48 2.82 0.53 -1.26 -2.17 117.16 115.98 1ffy n TYR 184 Ca -0.21 0.16 -0.23 0.00 -1.02 0.00 0.00 57.90 56.61 1ffy n TYR 184 Cb 0.57 -2.59 -0.16 0.00 -1.03 0.00 0.00 39.34 36.13 1ffy n TYR 184 CO 0.00 0.00 0.00 -0.46 -1.02 0.00 0.00 176.86 175.38 1ffy s TRP 185 N 1.73 1.23 -0.45 -0.72 -0.11 0.26 -1.67 118.94 119.21 1ffy s TRP 185 Ca 0.82 -0.41 -0.11 0.00 1.22 0.00 0.00 56.10 57.61 1ffy s TRP 185 Cb -0.66 -0.92 0.09 0.00 -1.50 0.00 0.00 33.47 30.48 1ffy s TRP 185 CO 0.40 -0.22 0.33 0.45 -4.62 0.00 0.00 176.95 173.29 1ffy s SER 186 N 0.61 5.81 0.61 5.86 0.15 -0.39 -1.30 113.70 125.04 1ffy s SER 186 Ca -0.12 -1.56 0.32 0.00 0.70 0.00 0.00 55.95 55.29 1ffy s SER 186 Cb -0.14 -2.05 1.88 0.00 -1.71 0.00 0.00 66.02 63.99 1ffy s SER 186 CO 0.02 -0.62 2.23 -0.65 1.20 0.00 0.00 173.24 175.42 1ffy h PRO 187 N 8.53 0.00 -0.06 5.44 0.11 -1.79 0.39 132.00 144.63 1ffy h PRO 187 Ca -0.24 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.84 1ffy h PRO 187 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1ffy h PRO 187 CO 0.83 0.00 -0.06 0.77 -0.21 0.00 0.00 178.00 179.33 1ffy h SER 188 N 0.00 0.14 0.56 -2.05 0.02 -1.86 -3.14 113.55 107.23 1ffy h SER 188 Ca 0.02 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1ffy h SER 188 Cb 0.15 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1ffy h SER 188 CO -0.00 0.60 -0.22 -1.20 -1.14 0.00 0.00 176.83 174.88 1ffy n SER 189 N -4.74 0.40 -3.90 3.07 7.64 -0.84 -4.92 113.62 110.33 1ffy n SER 189 Ca -0.08 -0.21 -0.29 0.00 1.01 0.00 0.00 58.87 59.30 1ffy n SER 189 Cb 0.29 -0.07 0.02 0.00 -1.01 0.00 0.00 64.21 63.45 1ffy n SER 189 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ffy n GLU 190 N -1.25 -5.37 -3.72 1.43 1.02 0.13 -4.95 120.64 107.94 1ffy n GLU 190 Ca 0.09 0.59 -0.10 0.00 -0.02 0.00 0.00 57.16 57.73 1ffy n GLU 190 Cb 0.32 -5.42 -0.05 0.00 -0.02 0.00 0.00 31.44 26.27 1ffy n GLU 190 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ffy s SER 191 N -3.47 -0.20 0.64 1.62 0.15 -1.14 -4.96 113.70 106.34 1ffy s SER 191 Ca 0.57 -0.46 -0.08 0.00 0.70 0.00 0.00 55.95 56.68 1ffy s SER 191 Cb -0.28 0.51 0.01 0.00 -1.71 0.00 0.00 66.02 64.55 1ffy s SER 191 CO 0.83 -0.93 0.97 -0.94 1.20 0.00 0.00 173.24 174.37 1ffy s SER 192 N -2.85 5.49 0.02 5.45 1.04 -1.26 -1.26 113.70 120.33 1ffy s SER 192 Ca 0.07 0.84 0.00 0.00 0.48 0.00 0.00 55.95 57.34 1ffy s SER 192 Cb 0.01 -1.74 -0.02 0.00 0.10 0.00 0.00 66.02 64.37 1ffy s SER 192 CO -0.07 -1.19 -0.03 -0.76 0.98 0.00 0.00 173.24 172.17 1ffy s LEU 193 N -5.13 2.26 0.35 2.42 1.43 -0.67 -4.85 118.68 114.49 1ffy s LEU 193 Ca 0.56 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1ffy s LEU 193 Cb -0.11 0.09 -0.03 0.00 0.03 0.00 0.00 46.19 46.17 1ffy s LEU 193 CO 0.47 -0.31 0.55 0.00 0.23 0.00 0.00 176.35 177.29 1ffy s ALA 194 N -1.60 3.76 0.58 4.21 0.00 -1.26 -4.28 121.76 123.16 1ffy s ALA 194 Ca -0.14 -0.99 0.30 0.00 0.00 0.00 0.00 51.96 51.12 1ffy s ALA 194 Cb -0.09 -2.06 1.43 0.00 0.00 0.00 0.00 23.12 22.41 1ffy s ALA 194 CO -0.01 -0.06 1.83 1.49 0.00 0.00 0.00 175.76 179.01 1ffy h GLU 195 N 0.74 0.00 0.00 0.00 4.57 -2.00 0.22 114.58 118.11 1ffy h GLU 195 Ca -0.49 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1ffy h GLU 195 Cb 1.23 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1ffy h GLU 195 CO 0.60 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 178.43 1ffy h ALA 196 N 1.39 1.00 -0.35 2.92 0.00 -2.03 -2.12 119.26 120.06 1ffy h ALA 196 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1ffy h ALA 196 Cb 1.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1ffy h ALA 196 CO -0.00 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.64 1ffy n GLU 197 N -2.61 2.28 -4.10 0.00 1.02 0.76 -4.95 120.64 113.05 1ffy n GLU 197 Ca 0.01 -2.07 -0.35 0.00 -0.02 0.00 0.00 57.16 54.73 1ffy n GLU 197 Cb 0.24 -1.40 -0.08 0.00 -0.02 0.00 0.00 31.44 30.18 1ffy n GLU 197 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1ffy s ILE 198 N -1.20 4.84 -0.00 -3.67 -1.09 -0.80 -1.64 121.20 117.64 1ffy s ILE 198 Ca 0.31 -0.04 -0.01 0.00 -2.23 0.00 0.00 60.65 58.68 1ffy s ILE 198 Cb 0.18 -3.11 -0.00 0.00 -1.58 0.00 0.00 42.46 37.95 1ffy s ILE 198 CO 0.24 0.56 0.02 -1.83 -1.23 0.00 0.00 174.94 172.70 1ffy s GLU 199 N -0.50 0.13 0.06 2.79 -1.05 -0.78 -4.89 118.70 114.47 1ffy s GLU 199 Ca 0.10 -0.17 -0.15 0.00 -0.15 0.00 0.00 54.97 54.60 1ffy s GLU 199 Cb -0.12 0.05 -0.06 0.00 -0.44 0.00 0.00 34.13 33.56 1ffy s GLU 199 CO 0.02 -0.02 0.48 0.71 0.95 0.00 0.00 175.26 177.40 1ffy s TYR 200 N -0.47 3.71 -0.03 4.83 1.51 -1.26 -1.36 117.35 124.27 1ffy s TYR 200 Ca -0.05 1.06 -0.09 0.00 -1.01 0.00 0.00 57.07 56.98 1ffy s TYR 200 Cb -0.03 -2.35 0.01 0.00 -0.11 0.00 0.00 41.96 39.48 1ffy s TYR 200 CO -0.00 0.57 0.20 -1.01 -1.11 0.00 0.00 175.55 174.19 1ffy s HIS 201 N -1.21 -0.09 0.48 2.71 3.76 -1.04 -4.92 115.29 114.98 1ffy s HIS 201 Ca 0.29 0.17 -0.23 0.00 -0.15 0.00 0.00 55.06 55.14 1ffy s HIS 201 Cb -0.17 0.02 -0.07 0.00 1.11 0.00 0.00 32.58 33.48 1ffy s HIS 201 CO 0.17 -0.26 1.26 -0.51 -0.85 0.00 0.00 174.74 174.55 1ffy s ASP 202 N -0.94 5.84 0.03 1.40 1.11 -1.26 -1.70 116.67 121.15 1ffy s ASP 202 Ca -0.10 2.54 -0.01 0.00 0.18 0.00 0.00 52.55 55.16 1ffy s ASP 202 Cb -0.05 -2.62 -0.02 0.00 1.07 0.00 0.00 42.92 41.29 1ffy s ASP 202 CO 0.02 -1.16 -0.00 -0.75 1.18 0.00 0.00 175.17 174.45 1ffy s LYS 203 N -2.71 0.44 -0.48 8.23 2.20 -0.83 -4.88 119.74 121.72 1ffy s LYS 203 Ca 0.66 -0.80 -0.24 0.00 -0.36 0.00 0.00 55.97 55.23 1ffy s LYS 203 Cb -0.35 0.16 0.03 0.00 -1.51 0.00 0.00 37.83 36.16 1ffy s LYS 203 CO 0.42 -0.08 0.84 1.03 -0.36 0.00 0.00 175.35 177.20 1ffy s ARG 204 N -2.32 3.40 -0.10 4.03 0.52 -1.26 -3.19 118.95 120.03 1ffy s ARG 204 Ca -0.08 -0.12 0.03 0.00 -0.52 0.00 0.00 55.73 55.04 1ffy s ARG 204 Cb -0.04 -3.97 0.00 0.00 0.52 0.00 0.00 34.95 31.47 1ffy s ARG 204 CO -0.04 -1.22 -0.22 -1.12 0.02 0.00 0.00 175.30 172.72 1ffy s SER 205 N 2.33 2.91 -0.67 0.23 0.01 -0.63 -4.99 113.70 112.90 1ffy s SER 205 Ca 0.31 -0.53 -0.23 0.00 1.31 0.00 0.00 55.95 56.80 1ffy s SER 205 Cb -0.12 -1.33 0.06 0.00 0.21 0.00 0.00 66.02 64.84 1ffy s SER 205 CO 0.22 0.13 1.02 0.00 0.41 0.00 0.00 173.24 175.02 1ffy s ALA 206 N 0.48 3.05 0.00 1.44 0.00 -1.26 -1.68 121.76 123.79 1ffy s ALA 206 Ca -0.16 -1.73 -0.23 0.00 0.00 0.00 0.00 51.96 49.83 1ffy s ALA 206 Cb -0.17 -3.93 -0.05 0.00 0.00 0.00 0.00 23.12 18.97 1ffy s ALA 206 CO 0.06 -2.86 0.70 -1.54 0.00 0.00 0.00 175.76 172.13 1ffy s SER 207 N 3.66 7.09 0.17 0.00 1.04 -0.08 -4.61 113.70 120.97 1ffy s SER 207 Ca 0.25 1.30 0.03 0.00 0.48 0.00 0.00 55.95 58.00 1ffy s SER 207 Cb -0.15 -2.42 -0.05 0.00 0.10 0.00 0.00 66.02 63.50 1ffy s SER 207 CO 0.11 0.01 -0.02 0.27 0.98 0.00 0.00 173.24 174.59 1ffy s ILE 208 N 0.12 0.83 -0.35 -1.02 -4.36 -1.18 -1.77 121.20 113.47 1ffy s ILE 208 Ca 0.36 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.74 1ffy s ILE 208 Cb -0.19 -2.08 0.08 0.00 1.25 0.00 0.00 42.46 41.52 1ffy s ILE 208 CO 0.20 -0.53 0.08 -0.31 0.24 0.00 0.00 174.94 174.63 1ffy s TYR 209 N -3.55 3.47 -0.91 1.37 1.51 -1.26 -3.02 117.35 114.95 1ffy s TYR 209 Ca 0.22 -2.29 -0.10 0.00 -1.01 0.00 0.00 57.07 53.90 1ffy s TYR 209 Cb 0.05 -2.67 0.23 0.00 -0.11 0.00 0.00 41.96 39.47 1ffy s TYR 209 CO 0.03 -0.90 0.86 0.14 -1.11 0.00 0.00 175.55 174.57 1ffy s VAL 210 N 1.15 5.45 -0.14 0.71 -7.23 0.35 -3.45 120.40 117.24 1ffy s VAL 210 Ca 0.02 -2.98 -0.29 0.00 -1.81 0.00 0.00 61.98 56.92 1ffy s VAL 210 Cb -0.21 -4.34 -0.03 0.00 0.56 0.00 0.00 36.38 32.36 1ffy s VAL 210 CO -0.04 -1.07 1.41 0.00 -0.31 0.00 0.00 175.10 175.09 1ffy s ALA 211 N -0.50 3.62 -0.00 1.32 0.00 0.28 -1.63 121.76 124.85 1ffy s ALA 211 Ca 0.23 0.60 0.03 0.00 0.00 0.00 0.00 51.96 52.82 1ffy s ALA 211 Cb -0.11 -3.68 -0.03 0.00 0.00 0.00 0.00 23.12 19.30 1ffy s ALA 211 CO -0.08 -1.31 -0.06 -0.06 0.00 0.00 0.00 175.76 174.25 1ffy s PHE 212 N 3.79 2.90 1.32 0.00 2.99 0.28 -4.42 117.98 124.84 1ffy s PHE 212 Ca 0.62 -0.03 -0.22 0.00 0.00 0.00 0.00 56.93 57.30 1ffy s PHE 212 Cb -0.25 -1.62 0.33 0.00 0.00 0.00 0.00 43.02 41.48 1ffy s PHE 212 CO 0.20 0.38 1.03 0.54 -0.00 0.00 0.00 175.22 177.37 1ffy s ASN 213 N -1.39 -0.14 -0.47 1.36 4.22 -1.26 0.32 114.94 117.58 1ffy s ASN 213 Ca 0.17 0.67 0.08 0.00 -2.14 0.00 0.00 52.86 51.64 1ffy s ASN 213 Cb -0.11 -0.91 0.27 0.00 1.28 0.00 0.00 41.25 41.77 1ffy s ASN 213 CO 0.07 -4.78 0.63 0.52 -2.04 0.00 0.00 177.10 171.51 1ffy n VAL 214 N -5.21 0.43 0.00 3.54 0.31 -1.26 -4.26 118.33 111.87 1ffy n VAL 214 Ca 0.14 -4.50 0.00 0.00 -0.01 0.00 0.00 64.34 59.97 1ffy n VAL 214 Cb 0.60 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 1ffy n VAL 214 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1ffy n LYS 215 N 1.03 1.69 0.00 5.55 5.02 -1.26 -4.68 118.16 125.50 1ffy n LYS 215 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1ffy n LYS 215 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.51 1ffy n LYS 215 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1ffy n ASP 216 N 0.00 0.00 0.00 4.39 8.00 -1.26 -4.42 116.55 123.26 1ffy n ASP 216 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1ffy n ASP 216 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1ffy n ASP 216 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ffy n ASP 217 N -0.87 0.00 0.25 -2.24 2.03 -1.26 -4.77 116.55 109.68 1ffy n ASP 217 Ca 0.00 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.41 1ffy n ASP 217 Cb 0.00 0.00 0.64 0.00 -0.72 0.00 0.00 41.12 41.04 1ffy n ASP 217 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1ffy h LYS 218 N 0.00 0.00 -0.02 -0.67 1.57 -1.84 -1.44 116.57 114.16 1ffy h LYS 218 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ffy h LYS 218 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1ffy h LYS 218 CO 0.00 0.16 -0.13 0.41 -0.57 0.00 0.00 179.45 179.32 1ffy n GLY 219 N -0.75 0.48 1.05 3.86 0.00 -1.20 -4.27 105.19 104.36 1ffy n GLY 219 Ca -0.02 -0.59 -0.02 0.00 0.00 0.00 0.00 46.02 45.39 1ffy n GLY 219 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ffy n VAL 220 N 0.79 1.08 0.32 1.61 0.31 -0.54 -4.03 118.33 117.86 1ffy n VAL 220 Ca 0.11 -0.41 0.20 0.00 -0.01 0.00 0.00 64.34 64.23 1ffy n VAL 220 Cb 0.49 -0.63 1.05 0.00 -0.91 0.00 0.00 33.84 33.84 1ffy n VAL 220 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1ffy h VAL 221 N 0.67 0.15 -2.11 2.52 2.07 -1.74 -3.27 116.25 114.53 1ffy h VAL 221 Ca 0.07 -0.13 -0.54 0.00 0.82 0.00 0.00 66.70 66.92 1ffy h VAL 221 Cb 1.14 1.11 -0.36 0.00 -1.52 0.00 0.00 31.29 31.66 1ffy h VAL 221 CO 0.19 0.01 -0.95 0.47 0.02 0.00 0.00 177.57 177.32 1ffy n ASP 222 N -3.26 -0.69 -0.58 0.57 8.00 -1.26 -5.13 116.55 114.20 1ffy n ASP 222 Ca -0.02 -2.50 0.00 0.00 0.71 0.00 0.00 54.79 52.97 1ffy n ASP 222 Cb 0.12 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 1ffy n ASP 222 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ffy n ALA 223 N 2.54 0.00 -1.93 2.24 0.00 -1.24 -4.45 120.51 117.68 1ffy n ALA 223 Ca 0.27 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.66 1ffy n ALA 223 Cb 0.50 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.07 1ffy n ALA 223 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ffy n ASP 224 N -2.00 2.69 -4.66 0.00 8.00 -1.26 -4.39 116.55 114.93 1ffy n ASP 224 Ca 0.00 -3.51 -0.43 0.00 0.71 0.00 0.00 54.79 51.56 1ffy n ASP 224 Cb 0.00 -0.44 -0.02 0.00 -0.02 0.00 0.00 41.12 40.64 1ffy n ASP 224 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ffy s ALA 225 N -3.05 3.61 0.81 2.24 0.00 -1.26 -4.35 121.76 119.75 1ffy s ALA 225 Ca 0.41 0.59 -0.14 0.00 0.00 0.00 0.00 51.96 52.82 1ffy s ALA 225 Cb 0.38 -3.68 0.04 0.00 0.00 0.00 0.00 23.12 19.86 1ffy s ALA 225 CO -0.04 -1.32 0.85 1.63 0.00 0.00 0.00 175.76 176.87 1ffy n LYS 226 N 6.87 0.14 -3.80 0.00 5.02 -1.26 -4.42 118.16 120.72 1ffy n LYS 226 Ca 0.15 0.11 -0.36 0.00 -2.02 0.00 0.00 58.31 56.19 1ffy n LYS 226 Cb 0.44 -2.14 -0.13 0.00 -0.02 0.00 0.00 35.03 33.18 1ffy n LYS 226 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1ffy s PHE 227 N -2.10 3.05 0.82 2.13 2.99 0.95 -3.76 117.98 122.06 1ffy s PHE 227 Ca 0.68 -0.61 -0.11 0.00 0.00 0.00 0.00 56.93 56.88 1ffy s PHE 227 Cb -0.30 -2.20 0.08 0.00 0.00 0.00 0.00 43.02 40.60 1ffy s PHE 227 CO 0.56 -0.43 1.09 0.42 -0.00 0.00 0.00 175.22 176.86 1ffy s ILE 228 N 1.57 3.07 -0.04 0.64 1.01 -1.26 0.98 121.20 127.17 1ffy s ILE 228 Ca 0.06 0.35 -0.10 0.00 0.00 0.00 0.00 60.65 60.96 1ffy s ILE 228 Cb -0.15 -2.96 0.02 0.00 0.01 0.00 0.00 42.46 39.37 1ffy s ILE 228 CO 0.02 -0.45 0.22 -0.63 0.00 0.00 0.00 174.94 174.09 1ffy s ILE 229 N -3.03 0.04 -0.23 2.92 1.01 -0.64 -4.66 121.20 116.62 1ffy s ILE 229 Ca 0.61 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.86 1ffy s ILE 229 Cb -0.16 -0.44 0.10 0.00 0.01 0.00 0.00 42.46 41.97 1ffy s ILE 229 CO 0.56 -0.20 0.21 0.86 0.00 0.00 0.00 174.94 176.36 1ffy s TRP 230 N -0.79 -0.18 -0.04 3.97 -0.00 -1.23 0.13 118.94 120.80 1ffy s TRP 230 Ca -0.09 -0.06 0.06 0.00 -0.00 0.00 0.00 56.10 56.02 1ffy s TRP 230 Cb -0.05 -0.49 -0.01 0.00 -0.00 0.00 0.00 33.47 32.92 1ffy s TRP 230 CO 0.02 -0.68 -0.24 0.95 -0.00 0.00 0.00 176.95 177.00 1ffy s THR 231 N 2.28 1.93 -1.34 5.86 -4.23 -1.17 -4.90 115.64 114.08 1ffy s THR 231 Ca 0.07 -1.01 0.09 0.00 -1.18 0.00 0.00 61.69 59.65 1ffy s THR 231 Cb -0.15 -1.63 0.35 0.00 1.34 0.00 0.00 72.50 72.41 1ffy s THR 231 CO -0.19 0.54 1.18 1.07 -0.54 0.00 0.00 174.62 176.68 1ffy n THR 232 N 2.82 0.88 -3.61 3.99 5.66 -1.26 -3.09 114.28 119.67 1ffy n THR 232 Ca -0.17 -0.56 -0.29 0.00 -3.05 0.00 0.00 64.05 59.98 1ffy n THR 232 Cb 0.52 -0.07 -0.14 0.00 -1.55 0.00 0.00 70.33 69.09 1ffy n THR 232 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1ffy s THR 233 N -1.68 0.61 0.48 1.09 -4.23 -1.26 -4.56 115.64 106.09 1ffy s THR 233 Ca 0.25 -1.66 0.19 0.00 -1.18 0.00 0.00 61.69 59.28 1ffy s THR 233 Cb 0.16 -1.45 0.35 0.00 1.34 0.00 0.00 72.50 72.90 1ffy s THR 233 CO 0.12 -0.84 1.99 -0.65 -0.54 0.00 0.00 174.62 174.71 1ffy h PRO 234 N 7.49 0.21 0.00 3.99 0.11 -1.83 0.17 132.00 142.14 1ffy h PRO 234 Ca -0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1ffy h PRO 234 Cb 0.98 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1ffy h PRO 234 CO 0.41 0.14 0.00 -2.67 -0.21 0.00 0.00 178.00 175.67 1ffy n TRP 235 N -4.44 0.43 -0.43 0.65 4.27 -1.26 -2.66 117.44 113.99 1ffy n TRP 235 Ca 0.09 0.13 -0.11 0.00 -3.89 0.00 0.00 57.50 53.72 1ffy n TRP 235 Cb 0.45 -0.71 0.15 0.00 -1.36 0.00 0.00 31.31 29.84 1ffy n TRP 235 CO 0.00 0.00 0.00 2.41 -2.29 0.00 0.00 177.69 177.81 1ffy n THR 236 N -1.86 2.33 -0.09 -1.67 -1.04 0.58 -3.80 114.28 108.74 1ffy n THR 236 Ca 0.06 -1.20 -0.12 0.00 -2.04 0.00 0.00 64.05 60.74 1ffy n THR 236 Cb 0.36 -0.58 -0.10 0.00 -1.82 0.00 0.00 70.33 68.18 1ffy n THR 236 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ffy n ILE 237 N -0.37 1.11 -0.44 12.58 0.13 -1.09 -4.50 119.36 126.78 1ffy n ILE 237 Ca 0.35 -0.48 -0.02 0.00 -1.10 0.00 0.00 62.75 61.51 1ffy n ILE 237 Cb 1.20 -1.07 -0.03 0.00 -0.84 0.00 0.00 39.64 38.90 1ffy n ILE 237 CO 0.00 0.00 0.00 -2.65 2.80 0.00 0.00 176.55 176.70 1ffy n PRO 238 N -2.97 0.88 -3.19 9.51 -0.02 -1.25 -3.99 135.00 133.96 1ffy n PRO 238 Ca -0.33 -0.15 -0.21 0.00 -2.02 0.00 0.00 63.50 60.79 1ffy n PRO 238 Cb 0.90 -1.29 -0.05 0.00 -0.02 0.00 0.00 33.50 33.04 1ffy n PRO 238 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1ffy n SER 239 N 1.85 0.52 -4.55 2.55 7.64 -1.26 -4.40 113.62 115.98 1ffy n SER 239 Ca 0.07 -2.85 -0.36 0.00 1.01 0.00 0.00 58.87 56.73 1ffy n SER 239 Cb 0.43 -0.63 -0.04 0.00 -1.01 0.00 0.00 64.21 62.96 1ffy n SER 239 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1ffy n ASN 240 N 0.85 2.24 -3.58 6.43 6.94 -1.26 -4.33 115.26 122.55 1ffy n ASN 240 Ca 0.23 -0.47 -0.08 0.00 -0.02 0.00 0.00 54.58 54.24 1ffy n ASN 240 Cb 0.59 -1.56 -0.09 0.00 -2.36 0.00 0.00 39.78 36.37 1ffy n ASN 240 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1ffy s VAL 241 N 12.05 -0.66 0.00 3.53 1.01 -1.15 -4.97 120.40 130.20 1ffy s VAL 241 Ca 1.00 0.11 0.00 0.00 0.00 0.00 0.00 61.98 63.09 1ffy s VAL 241 Cb -0.23 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.44 1ffy s VAL 241 CO 0.27 0.03 0.00 0.00 0.00 0.00 0.00 175.10 175.40 1ffy n ALA 242 N 5.39 0.00 -2.88 5.51 0.00 -1.26 -1.86 120.51 125.41 1ffy n ALA 242 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1ffy n ALA 242 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1ffy n ALA 242 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1ffy n ILE 243 N 0.00 0.00 -3.76 0.00 -0.00 0.19 -2.91 119.36 112.88 1ffy n ILE 243 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 62.75 62.65 1ffy n ILE 243 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 39.64 39.59 1ffy n ILE 243 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 1ffy s THR 244 N 3.86 0.05 -0.30 1.39 2.01 -1.26 -4.15 115.64 117.24 1ffy s THR 244 Ca 0.00 -0.87 -0.19 0.00 0.31 0.00 0.00 61.69 60.94 1ffy s THR 244 Cb 0.00 -1.52 0.20 0.00 0.01 0.00 0.00 72.50 71.18 1ffy s THR 244 CO 0.00 -0.22 1.28 0.54 -0.69 0.00 0.00 174.62 175.53 1ffy s VAL 245 N -3.88 -0.07 -0.61 3.82 0.11 -1.26 -4.86 120.40 113.67 1ffy s VAL 245 Ca 0.09 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 58.97 1ffy s VAL 245 Cb 0.01 -1.00 0.12 0.00 -1.53 0.00 0.00 36.38 33.98 1ffy s VAL 245 CO -0.05 0.00 0.65 -2.28 -3.33 0.00 0.00 175.10 170.09 1ffy s HIS 246 N 2.02 3.15 0.35 1.54 2.46 -1.26 -1.35 115.29 122.20 1ffy s HIS 246 Ca 0.00 -1.18 -0.17 0.00 0.47 0.00 0.00 55.06 54.18 1ffy s HIS 246 Cb -0.01 -3.93 -0.13 0.00 -0.13 0.00 0.00 32.58 28.38 1ffy s HIS 246 CO -0.16 -1.18 0.04 -2.30 -2.47 0.00 0.00 174.74 168.67 1ffy n PRO 247 N 5.77 0.00 0.00 2.88 -0.02 -1.26 -2.16 135.00 140.20 1ffy n PRO 247 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 1ffy n PRO 247 Cb 0.42 -0.83 0.00 0.00 -0.02 0.00 0.00 33.50 33.07 1ffy n PRO 247 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1ffy n GLU 248 N 1.13 0.00 -2.12 -0.52 2.13 -1.26 -4.92 120.64 115.08 1ffy n GLU 248 Ca 0.09 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.49 1ffy n GLU 248 Cb 0.34 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.02 1ffy n GLU 248 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1ffy s LEU 249 N 0.00 4.35 0.00 4.31 1.43 -0.92 -4.75 118.68 123.10 1ffy s LEU 249 Ca 0.00 2.30 0.00 0.00 -1.03 0.00 0.00 54.13 55.40 1ffy s LEU 249 Cb 0.00 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.65 1ffy s LEU 249 CO 0.00 -0.74 0.00 0.29 0.23 0.00 0.00 176.35 176.13 1ffy n LYS 250 N 4.91 0.00 -0.62 1.70 5.02 -1.26 -2.30 118.16 125.61 1ffy n LYS 250 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1ffy n LYS 250 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.43 1ffy n LYS 250 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1ffy n TYR 251 N 0.00 -1.72 -0.05 2.13 4.02 -1.26 -4.10 117.16 116.18 1ffy n TYR 251 Ca 0.00 0.92 0.00 0.00 -0.01 0.00 0.00 57.90 58.81 1ffy n TYR 251 Cb 0.00 -1.98 0.00 0.00 -0.02 0.00 0.00 39.34 37.34 1ffy n TYR 251 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ffy n GLY 252 N -0.96 0.42 5.39 2.72 0.00 -1.26 -3.98 105.19 107.51 1ffy n GLY 252 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ffy n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ffy n GLN 253 N 0.00 0.00 -2.89 1.61 3.00 -1.26 -3.38 117.38 114.46 1ffy n GLN 253 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 1ffy n GLN 253 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 30.24 30.25 1ffy n GLN 253 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1ffy n TYR 254 N 0.00 -3.42 -4.18 1.08 4.02 -1.03 -2.41 117.16 111.22 1ffy n TYR 254 Ca 0.00 1.37 -0.26 0.00 -0.01 0.00 0.00 57.90 59.00 1ffy n TYR 254 Cb 0.00 -4.05 -0.07 0.00 -0.02 0.00 0.00 39.34 35.20 1ffy n TYR 254 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1ffy s ASN 255 N -2.63 4.99 1.01 7.72 3.84 -1.26 -3.43 114.94 125.18 1ffy s ASN 255 Ca 0.22 -0.34 -0.21 0.00 0.21 0.00 0.00 52.86 52.74 1ffy s ASN 255 Cb -0.06 -1.13 -0.10 0.00 -0.55 0.00 0.00 41.25 39.40 1ffy s ASN 255 CO 0.77 0.07 -0.83 0.52 -2.79 0.00 0.00 177.10 174.84 1ffy n VAL 256 N -0.28 0.00 -2.64 -5.21 0.31 -1.26 -2.54 118.33 106.70 1ffy n VAL 256 Ca -0.09 -0.23 0.03 0.00 -0.01 0.00 0.00 64.34 64.04 1ffy n VAL 256 Cb 0.55 -0.18 -0.01 0.00 -0.91 0.00 0.00 33.84 33.30 1ffy n VAL 256 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1ffy n ASN 257 N 2.05 -4.19 0.00 4.52 4.05 -1.26 -4.54 115.26 115.89 1ffy n ASN 257 Ca -0.01 0.23 0.00 0.00 0.45 0.00 0.00 54.58 55.26 1ffy n ASN 257 Cb 0.65 -0.69 0.00 0.00 1.23 0.00 0.00 39.78 40.97 1ffy n ASN 257 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ffy n GLY 258 N -0.67 1.17 0.20 8.20 0.00 -1.26 -2.74 105.19 110.09 1ffy n GLY 258 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1ffy n GLY 258 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ffy n GLU 259 N 0.00 0.00 -3.62 1.61 -0.58 -1.26 -5.03 120.64 111.77 1ffy n GLU 259 Ca 0.00 -0.17 -0.21 0.00 -0.42 0.00 0.00 57.16 56.36 1ffy n GLU 259 Cb 0.00 -0.12 0.05 0.00 -0.57 0.00 0.00 31.44 30.79 1ffy n GLU 259 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1ffy n LYS 260 N 0.00 -4.93 0.00 3.49 5.02 -1.05 -4.38 118.16 116.30 1ffy n LYS 260 Ca 0.00 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 1ffy n LYS 260 Cb 0.52 -5.31 0.00 0.00 -0.02 0.00 0.00 35.03 30.22 1ffy n LYS 260 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1ffy n TYR 261 N -4.18 -0.18 -4.10 2.13 4.01 -1.26 -4.09 117.16 109.49 1ffy n TYR 261 Ca -0.28 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.30 1ffy n TYR 261 Cb 0.67 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.55 1ffy n TYR 261 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1ffy s ILE 262 N 0.00 0.36 0.00 -0.72 1.09 -1.25 -2.48 121.20 118.21 1ffy s ILE 262 Ca 0.00 -0.14 0.00 0.00 -1.10 0.00 0.00 60.65 59.41 1ffy s ILE 262 Cb 0.00 -0.35 0.00 0.00 -1.06 0.00 0.00 42.46 41.05 1ffy s ILE 262 CO 0.00 0.13 0.00 -0.38 -0.10 0.00 0.00 174.94 174.59 1ffy n ILE 263 N 3.35 0.00 -3.94 2.92 5.41 -1.22 -4.63 119.36 121.25 1ffy n ILE 263 Ca -0.18 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.62 1ffy n ILE 263 Cb 0.56 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.49 1ffy n ILE 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ffy s ALA 264 N -2.00 -2.77 0.00 -1.39 0.00 -1.26 -4.69 121.76 109.66 1ffy s ALA 264 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.29 1ffy s ALA 264 Cb 0.00 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.94 1ffy s ALA 264 CO 0.00 -1.16 0.18 -1.91 0.00 0.00 0.00 175.76 172.87 1ffy n GLU 265 N -0.89 0.00 0.00 0.00 2.13 -1.26 -1.96 120.64 118.66 1ffy n GLU 265 Ca 0.03 0.33 0.10 0.00 0.66 0.00 0.00 57.16 58.28 1ffy n GLU 265 Cb 0.59 -0.94 0.55 0.00 0.27 0.00 0.00 31.44 31.92 1ffy n GLU 265 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ffy n ALA 266 N -1.48 2.18 -0.13 4.31 0.00 -1.26 -3.40 120.51 120.73 1ffy n ALA 266 Ca 0.00 -0.11 -0.28 0.00 0.00 0.00 0.00 53.44 53.05 1ffy n ALA 266 Cb 0.00 -1.31 -0.10 0.00 0.00 0.00 0.00 19.45 18.03 1ffy n ALA 266 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ffy n LEU 267 N -1.05 1.95 -0.06 0.00 7.99 -1.25 -4.65 117.00 119.93 1ffy n LEU 267 Ca 0.13 0.35 -0.02 0.00 -0.01 0.00 0.00 56.01 56.47 1ffy n LEU 267 Cb 0.08 -0.86 -0.01 0.00 -0.11 0.00 0.00 43.42 42.52 1ffy n LEU 267 CO 0.12 0.51 0.09 -0.24 -1.51 0.00 0.00 177.39 176.35 1ffy n SER 268 N -4.28 -0.14 -0.12 -1.43 2.88 -0.83 0.70 113.62 110.41 1ffy n SER 268 Ca -0.49 0.28 -0.09 0.00 -1.33 0.00 0.00 58.87 57.25 1ffy n SER 268 Cb 0.84 -0.05 -0.03 0.00 -0.75 0.00 0.00 64.21 64.21 1ffy n SER 268 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1ffy h ASP 269 N 0.00 -1.27 -1.45 -3.46 3.58 -1.83 -1.76 116.42 110.23 1ffy h ASP 269 Ca 0.02 0.20 -0.62 0.00 0.42 0.00 0.00 57.03 57.05 1ffy h ASP 269 Cb 0.06 0.57 -0.22 0.00 1.72 0.00 0.00 39.33 41.45 1ffy h ASP 269 CO -0.13 -0.35 0.73 0.00 -2.88 0.00 0.00 179.24 176.61 1ffy n ALA 270 N -3.03 6.42 0.07 -0.78 0.00 0.22 -3.75 120.51 119.65 1ffy n ALA 270 Ca -0.00 -3.49 0.00 0.00 0.00 0.00 0.00 53.44 49.95 1ffy n ALA 270 Cb 0.35 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1ffy n ALA 270 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ffy n VAL 271 N 0.10 0.08 0.22 0.00 0.31 -0.68 -4.83 118.33 113.53 1ffy n VAL 271 Ca 0.51 0.03 0.10 0.00 -0.01 0.00 0.00 64.34 64.97 1ffy n VAL 271 Cb 0.42 -0.40 0.45 0.00 -0.91 0.00 0.00 33.84 33.40 1ffy n VAL 271 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ffy h ALA 272 N 0.00 1.01 -0.98 3.52 0.00 -1.73 -2.97 119.26 118.10 1ffy h ALA 272 Ca 0.00 -0.20 0.25 0.00 0.00 0.00 0.00 54.91 54.96 1ffy h ALA 272 Cb 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 1ffy h ALA 272 CO 0.00 0.28 0.66 1.49 0.00 0.00 0.00 179.25 181.67 1ffy h GLU 273 N 0.00 0.29 0.00 0.00 4.81 -1.76 0.77 114.58 118.69 1ffy h GLU 273 Ca -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1ffy h GLU 273 Cb 0.76 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1ffy h GLU 273 CO 0.03 0.19 -0.73 0.00 -0.73 0.00 0.00 179.01 177.77 1ffy n ALA 274 N -2.56 3.86 1.32 2.92 0.00 -1.16 -4.36 120.51 120.54 1ffy n ALA 274 Ca 0.22 -0.41 0.03 0.00 0.00 0.00 0.00 53.44 53.28 1ffy n ALA 274 Cb 0.86 -0.53 0.19 0.00 0.00 0.00 0.00 19.45 19.97 1ffy n ALA 274 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ffy n LEU 275 N -1.37 0.00 0.00 0.00 4.77 0.26 -4.81 117.00 115.85 1ffy n LEU 275 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1ffy n LEU 275 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1ffy n LEU 275 CO 0.30 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.69 1ffy n ASP 276 N -0.65 0.00 -4.72 -1.43 -0.08 -1.20 -4.92 116.55 103.54 1ffy n ASP 276 Ca 0.05 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.93 1ffy n ASP 276 Cb 0.02 -1.36 -0.05 0.00 2.34 0.00 0.00 41.12 42.07 1ffy n ASP 276 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 1ffy s TRP 277 N -1.57 3.61 -0.21 -0.67 0.51 -1.24 -4.86 118.94 114.50 1ffy s TRP 277 Ca 0.00 1.32 0.04 0.00 -2.12 0.00 0.00 56.10 55.34 1ffy s TRP 277 Cb 0.00 -2.83 0.15 0.00 -0.81 0.00 0.00 33.47 29.98 1ffy s TRP 277 CO 0.00 0.11 0.99 -3.47 -0.51 0.00 0.00 176.95 174.08 1ffy n ASP 278 N 3.62 -0.87 -3.37 2.95 -0.08 -1.26 -4.60 116.55 112.94 1ffy n ASP 278 Ca -0.01 -1.62 -0.35 0.00 -1.51 0.00 0.00 54.79 51.30 1ffy n ASP 278 Cb 0.51 0.56 -0.02 0.00 2.34 0.00 0.00 41.12 44.51 1ffy n ASP 278 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1ffy n LYS 279 N -0.57 2.93 -1.45 -0.67 4.76 -1.26 -3.70 118.16 118.20 1ffy n LYS 279 Ca -0.13 -2.03 0.00 0.00 -2.87 0.00 0.00 58.31 53.29 1ffy n LYS 279 Cb 0.67 -2.79 0.00 0.00 -1.84 0.00 0.00 35.03 31.07 1ffy n LYS 279 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ffy n ALA 280 N 4.49 0.00 -2.62 7.82 0.00 -1.26 -4.22 120.51 124.72 1ffy n ALA 280 Ca 0.63 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.91 1ffy n ALA 280 Cb 0.24 -0.31 -0.03 0.00 0.00 0.00 0.00 19.45 19.35 1ffy n ALA 280 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ffy n SER 281 N 1.06 -0.83 -1.95 0.00 3.41 -1.24 -4.61 113.62 109.46 1ffy n SER 281 Ca 0.00 -0.38 -0.25 0.00 -0.26 0.00 0.00 58.87 57.98 1ffy n SER 281 Cb 0.31 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.49 1ffy n SER 281 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1ffy n ILE 282 N -2.04 0.14 -1.94 -1.33 -5.35 -1.26 -4.88 119.36 102.69 1ffy n ILE 282 Ca 0.04 -0.03 -0.32 0.00 -0.27 0.00 0.00 62.75 62.17 1ffy n ILE 282 Cb 0.24 0.00 0.02 0.00 -1.74 0.00 0.00 39.64 38.16 1ffy n ILE 282 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1ffy s LYS 283 N -0.07 3.25 0.70 6.28 1.02 -1.26 -4.84 119.74 124.82 1ffy s LYS 283 Ca 0.38 1.13 -0.12 0.00 0.02 0.00 0.00 55.97 57.38 1ffy s LYS 283 Cb -0.53 -2.03 0.16 0.00 -0.52 0.00 0.00 37.83 34.92 1ffy s LYS 283 CO 0.25 -0.86 0.87 1.47 -0.92 0.00 0.00 175.35 176.15 1ffy n LEU 284 N -2.28 0.00 0.00 3.17 -0.00 -1.26 -4.32 117.00 112.30 1ffy n LEU 284 Ca 0.08 -0.95 0.00 0.00 -0.00 0.00 0.00 56.01 55.15 1ffy n LEU 284 Cb 0.53 -0.69 0.00 0.00 -0.00 0.00 0.00 43.42 43.26 1ffy n LEU 284 CO 0.49 -1.28 0.00 -0.62 -0.00 0.00 0.00 177.39 175.98 1ffy n GLU 285 N -3.10 0.00 -2.56 1.47 -0.58 -1.01 -4.99 120.64 109.88 1ffy n GLU 285 Ca 0.11 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.42 1ffy n GLU 285 Cb 0.39 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.26 1ffy n GLU 285 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1ffy n LYS 286 N 0.00 3.25 -2.52 3.49 2.85 -1.24 -4.97 118.16 119.02 1ffy n LYS 286 Ca 0.00 -3.39 -0.41 0.00 -1.05 0.00 0.00 58.31 53.46 1ffy n LYS 286 Cb 0.00 -3.27 -0.04 0.00 -0.65 0.00 0.00 35.03 31.07 1ffy n LYS 286 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 1ffy s GLU 287 N 2.87 4.59 -0.51 -1.58 -1.05 -1.25 -4.43 118.70 117.35 1ffy s GLU 287 Ca 0.48 1.71 0.02 0.00 -0.15 0.00 0.00 54.97 57.03 1ffy s GLU 287 Cb 0.04 -3.28 0.13 0.00 -0.44 0.00 0.00 34.13 30.58 1ffy s GLU 287 CO 0.03 0.07 0.27 0.71 0.95 0.00 0.00 175.26 177.29 1ffy s TYR 288 N -0.21 3.35 0.00 4.83 4.12 -1.26 -4.72 117.35 123.45 1ffy s TYR 288 Ca 0.49 -3.01 0.00 0.00 0.02 0.00 0.00 57.07 54.58 1ffy s TYR 288 Cb -0.29 -2.95 0.00 0.00 -1.52 0.00 0.00 41.96 37.20 1ffy s TYR 288 CO 0.35 -0.81 0.00 2.41 0.02 0.00 0.00 175.55 177.52 1ffy n THR 289 N 3.45 0.00 0.00 -0.71 -1.04 -1.26 -4.59 114.28 110.12 1ffy n THR 289 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1ffy n THR 289 Cb 0.35 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 1ffy n THR 289 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ffy n GLY 290 N 0.35 -2.77 0.02 3.41 0.00 -1.26 -3.00 105.19 101.95 1ffy n GLY 290 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 1ffy n GLY 290 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ffy n LYS 291 N -1.18 -0.02 0.19 1.61 4.81 -0.97 0.91 118.16 123.50 1ffy n LYS 291 Ca 0.00 0.39 0.09 0.00 -0.87 0.00 0.00 58.31 57.93 1ffy n LYS 291 Cb 0.00 -0.59 0.50 0.00 0.02 0.00 0.00 35.03 34.96 1ffy n LYS 291 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1ffy h GLU 292 N 0.00 0.00 -2.89 1.64 5.08 -1.91 -3.34 114.58 113.17 1ffy h GLU 292 Ca 0.01 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.18 1ffy h GLU 292 Cb 0.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1ffy h GLU 292 CO -0.05 0.00 0.98 1.28 -1.00 0.00 0.00 179.01 180.22 1ffy n LEU 293 N -2.23 3.32 -4.84 1.33 4.77 0.26 -4.85 117.00 114.77 1ffy n LEU 293 Ca -0.01 -2.17 -0.37 0.00 -0.03 0.00 0.00 56.01 53.42 1ffy n LEU 293 Cb 0.24 -0.84 -0.06 0.00 -2.33 0.00 0.00 43.42 40.43 1ffy n LEU 293 CO 0.08 0.53 0.14 -0.70 -1.33 0.00 0.00 177.39 176.11 1ffy s GLU 294 N 2.62 3.95 -1.73 3.23 2.12 -1.25 -4.09 118.70 123.54 1ffy s GLU 294 Ca 0.34 0.44 0.00 0.00 0.36 0.00 0.00 54.97 56.11 1ffy s GLU 294 Cb 0.13 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.35 1ffy s GLU 294 CO -0.01 0.65 0.00 0.91 -0.54 0.00 0.00 175.26 176.27 1ffy n TRP 295 N 1.60 -0.24 -0.52 5.30 8.01 -1.21 -4.84 117.44 125.55 1ffy n TRP 295 Ca -0.12 0.00 -0.10 0.00 -1.31 0.00 0.00 57.50 55.97 1ffy n TRP 295 Cb 0.52 -3.12 -0.06 0.00 -2.01 0.00 0.00 31.31 26.64 1ffy n TRP 295 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.69 176.96 1ffy n VAL 296 N -2.94 1.61 -0.08 -0.99 0.31 -1.26 -4.48 118.33 110.50 1ffy n VAL 296 Ca -0.18 -0.87 -0.03 0.00 -0.01 0.00 0.00 64.34 63.25 1ffy n VAL 296 Cb 0.59 -1.83 -0.00 0.00 -0.91 0.00 0.00 33.84 31.69 1ffy n VAL 296 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1ffy n VAL 297 N 3.29 0.00 -3.68 2.52 0.31 -1.26 -4.44 118.33 115.06 1ffy n VAL 297 Ca 0.26 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.45 1ffy n VAL 297 Cb 0.32 -0.02 -0.14 0.00 -0.91 0.00 0.00 33.84 33.09 1ffy n VAL 297 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ffy s ALA 298 N 0.14 -0.45 -0.08 3.52 0.00 -1.22 -3.23 121.76 120.45 1ffy s ALA 298 Ca 0.05 0.85 -0.30 0.00 0.00 0.00 0.00 51.96 52.56 1ffy s ALA 298 Cb -0.07 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.17 1ffy s ALA 298 CO 0.04 -0.49 1.29 -0.65 0.00 0.00 0.00 175.76 175.95 1ffy s GLN 299 N 2.05 4.29 -0.80 0.00 -0.21 -1.26 0.30 119.66 124.02 1ffy s GLN 299 Ca -0.01 1.77 -0.13 0.00 0.02 0.00 0.00 55.36 57.00 1ffy s GLN 299 Cb -0.12 -3.66 0.21 0.00 1.00 0.00 0.00 33.01 30.45 1ffy s GLN 299 CO -0.08 -0.59 0.73 -1.01 -2.12 0.00 0.00 175.29 172.23 1ffy s HIS 300 N 2.81 3.72 0.00 0.91 3.76 -1.25 -4.37 115.29 120.87 1ffy s HIS 300 Ca 0.58 -2.05 0.00 0.00 -0.15 0.00 0.00 55.06 53.44 1ffy s HIS 300 Cb -0.26 -3.76 0.00 0.00 1.11 0.00 0.00 32.58 29.67 1ffy s HIS 300 CO 0.21 -0.98 0.00 -2.30 -0.85 0.00 0.00 174.74 170.82 1ffy n PRO 301 N 3.94 0.00 0.00 8.40 -0.02 -1.26 -3.85 135.00 142.21 1ffy n PRO 301 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1ffy n PRO 301 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.94 1ffy n PRO 301 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 1ffy n PHE 302 N 0.00 0.00 0.00 6.00 1.16 -1.26 0.11 117.46 123.47 1ffy n PHE 302 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1ffy n PHE 302 Cb 0.00 -0.50 0.00 0.00 -1.61 0.00 0.00 39.48 37.37 1ffy n PHE 302 CO 0.00 0.00 0.00 -0.11 -1.87 0.00 0.00 176.76 174.78 1ffy n LEU 303 N 0.00 0.00 0.00 5.98 7.94 -1.26 -4.97 117.00 124.68 1ffy n LEU 303 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1ffy n LEU 303 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1ffy n LEU 303 CO 0.00 0.00 0.00 -0.90 -1.11 0.00 0.00 177.39 175.38 1ffy n ASP 304 N 0.00 0.00 0.00 1.96 5.75 0.31 -5.00 116.55 119.56 1ffy n ASP 304 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1ffy n ASP 304 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1ffy n ASP 304 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1ffy n ARG 305 N 0.00 0.00 -4.33 0.11 0.00 -1.26 -5.04 116.66 106.14 1ffy n ARG 305 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.55 1ffy n ARG 305 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.35 1ffy n ARG 305 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1ffy s GLU 306 N -0.28 2.07 0.17 -0.14 0.41 -1.26 -5.07 118.70 114.61 1ffy s GLU 306 Ca 0.00 -1.03 -0.09 0.00 -0.41 0.00 0.00 54.97 53.45 1ffy s GLU 306 Cb 0.00 -2.26 -0.06 0.00 -1.78 0.00 0.00 34.13 30.03 1ffy s GLU 306 CO 0.00 0.51 0.47 -1.12 -0.49 0.00 0.00 175.26 174.63 1ffy s SER 307 N -2.01 6.60 -0.15 -0.19 0.01 -1.26 -3.80 113.70 112.90 1ffy s SER 307 Ca 0.19 0.81 -0.10 0.00 1.31 0.00 0.00 55.95 58.15 1ffy s SER 307 Cb -0.11 -2.18 -0.05 0.00 0.21 0.00 0.00 66.02 63.89 1ffy s SER 307 CO 0.11 0.02 0.19 -0.76 0.41 0.00 0.00 173.24 173.22 1ffy s LEU 308 N -2.54 4.29 0.00 2.44 1.43 0.15 -4.71 118.68 119.74 1ffy s LEU 308 Ca 0.42 0.43 -0.04 0.00 -1.03 0.00 0.00 54.13 53.91 1ffy s LEU 308 Cb -0.12 -2.19 0.12 0.00 0.03 0.00 0.00 46.19 44.03 1ffy s LEU 308 CO 0.22 0.24 0.78 0.52 0.23 0.00 0.00 176.35 178.33 1ffy n VAL 309 N 2.94 0.00 -3.68 -1.59 0.31 -1.26 -3.42 118.33 111.63 1ffy n VAL 309 Ca -0.16 -0.98 -0.09 0.00 -0.01 0.00 0.00 64.34 63.10 1ffy n VAL 309 Cb 0.53 -1.23 -0.10 0.00 -0.91 0.00 0.00 33.84 32.13 1ffy n VAL 309 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1ffy s ILE 310 N -2.41 -0.21 0.31 2.52 1.01 -1.26 0.55 121.20 121.71 1ffy s ILE 310 Ca 0.49 0.10 0.03 0.00 0.00 0.00 0.00 60.65 61.27 1ffy s ILE 310 Cb -0.02 -0.68 -0.06 0.00 0.01 0.00 0.00 42.46 41.71 1ffy s ILE 310 CO 0.33 0.04 0.07 0.20 0.00 0.00 0.00 174.94 175.58 1ffy s ASN 311 N 1.78 2.04 0.62 3.58 0.01 -1.26 -3.29 114.94 118.42 1ffy s ASN 311 Ca -0.07 -1.38 -0.16 0.00 -0.71 0.00 0.00 52.86 50.54 1ffy s ASN 311 Cb -0.09 -0.01 -0.13 0.00 0.41 0.00 0.00 41.25 41.42 1ffy s ASN 311 CO -0.14 -0.64 -0.35 0.61 -1.51 0.00 0.00 177.10 175.07 1ffy n GLY 312 N -0.63 -3.39 3.18 0.66 0.00 -1.26 -4.02 105.19 99.74 1ffy n GLY 312 Ca -0.02 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 1ffy n GLY 312 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ffy s ASP 313 N -0.90 1.05 -0.33 1.61 -1.08 -0.46 -4.82 116.67 111.74 1ffy s ASP 313 Ca 0.45 -1.07 -0.01 0.00 -0.52 0.00 0.00 52.55 51.40 1ffy s ASP 313 Cb -0.34 0.13 0.11 0.00 -1.46 0.00 0.00 42.92 41.36 1ffy s ASP 313 CO 0.65 -0.53 0.13 -1.00 0.52 0.00 0.00 175.17 174.95 1ffy s HIS 314 N -3.69 1.40 0.00 -5.34 3.76 -1.26 -4.57 115.29 105.59 1ffy s HIS 314 Ca 0.16 -1.66 0.00 0.00 -0.15 0.00 0.00 55.06 53.41 1ffy s HIS 314 Cb 0.06 -1.52 0.00 0.00 1.11 0.00 0.00 32.58 32.23 1ffy s HIS 314 CO -0.02 -0.85 0.00 0.28 -0.85 0.00 0.00 174.74 173.30 1ffy n VAL 315 N 4.67 -2.39 0.00 -0.90 0.31 -1.26 -5.09 118.33 113.68 1ffy n VAL 315 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ffy n VAL 315 Cb 0.41 -3.17 0.00 0.00 -0.91 0.00 0.00 33.84 30.17 1ffy n VAL 315 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1ffy n THR 316 N 0.03 0.00 -1.83 2.52 -1.04 -1.26 -5.11 114.28 107.58 1ffy n THR 316 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 1ffy n THR 316 Cb 0.00 -0.22 -0.01 0.00 -1.82 0.00 0.00 70.33 68.28 1ffy n THR 316 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1ffy s THR 317 N -1.71 2.15 -5.00 12.58 -4.23 -1.26 -4.81 115.64 113.35 1ffy s THR 317 Ca 0.00 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 1ffy s THR 317 Cb 0.00 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.75 1ffy s THR 317 CO 0.00 0.03 0.00 -0.67 -0.54 0.00 0.00 174.62 173.44 1ffy n ASP 318 N 1.14 0.00 -0.51 3.99 4.64 -1.26 -4.92 116.55 119.62 1ffy n ASP 318 Ca 0.03 0.00 0.44 0.00 -1.38 0.00 0.00 54.79 53.89 1ffy n ASP 318 Cb 0.39 0.00 0.77 0.00 -1.04 0.00 0.00 41.12 41.24 1ffy n ASP 318 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1ffy h ALA 319 N 0.00 3.49 -2.38 -1.67 0.00 -1.94 -3.37 119.26 113.39 1ffy h ALA 319 Ca 0.00 -0.06 -0.54 0.00 0.00 0.00 0.00 54.91 54.31 1ffy h ALA 319 Cb 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ffy h ALA 319 CO 0.00 -2.00 0.76 0.20 0.00 0.00 0.00 179.25 178.21 1ffy s GLY 320 N -3.86 1.99 0.77 0.00 0.00 -1.26 -4.96 107.32 100.00 1ffy s GLY 320 Ca -0.05 0.82 -0.17 0.00 0.00 0.00 0.00 44.72 45.32 1ffy s GLY 320 CO 0.82 2.37 -0.35 -1.30 0.00 0.00 0.00 173.10 174.64 1ffy n THR 321 N 4.53 0.19 0.27 0.90 -2.24 -1.26 -4.83 114.28 111.85 1ffy n THR 321 Ca 0.12 -0.48 0.14 0.00 -2.27 0.00 0.00 64.05 61.56 1ffy n THR 321 Cb 0.45 -0.10 0.77 0.00 -2.10 0.00 0.00 70.33 69.35 1ffy n THR 321 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1ffy h GLY 322 N -0.55 0.00 -7.17 3.38 0.00 -1.88 -3.40 103.07 93.46 1ffy h GLY 322 Ca -0.43 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.29 1ffy h GLY 322 CO 0.33 0.00 0.59 0.00 0.00 0.00 0.00 176.54 177.46 1ffy n VAL 324 N 6.12 1.23 -0.46 0.00 0.31 -1.26 -3.51 118.33 120.76 1ffy n VAL 324 Ca 0.00 0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 1ffy n VAL 324 Cb 0.47 -2.23 0.00 0.00 -0.91 0.00 0.00 33.84 31.17 1ffy n VAL 324 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1ffy n HIS 325 N -4.19 -1.26 -4.54 3.52 -0.00 -1.26 -4.50 115.22 102.99 1ffy n HIS 325 Ca -0.09 0.68 -0.25 0.00 -0.00 0.00 0.00 57.72 58.05 1ffy n HIS 325 Cb 0.34 -1.50 -0.09 0.00 -0.00 0.00 0.00 29.99 28.74 1ffy n HIS 325 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 1ffy s THR 326 N -3.85 1.02 -0.35 3.57 -4.23 -0.78 -4.88 115.64 106.15 1ffy s THR 326 Ca 0.00 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.44 1ffy s THR 326 Cb 0.00 -2.54 0.21 0.00 1.34 0.00 0.00 72.50 71.52 1ffy s THR 326 CO 0.00 0.00 1.09 0.00 -0.54 0.00 0.00 174.62 175.17 1ffy s ALA 327 N -3.15 -4.43 -0.20 3.99 0.00 -1.25 -2.95 121.76 113.77 1ffy s ALA 327 Ca 0.26 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.83 1ffy s ALA 327 Cb 0.05 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.19 1ffy s ALA 327 CO 0.13 -2.52 0.32 -2.30 0.00 0.00 0.00 175.76 171.40 1ffy n PRO 328 N 2.66 0.00 0.16 0.00 -0.02 -1.24 -0.87 135.00 135.70 1ffy n PRO 328 Ca 0.11 0.03 0.13 0.00 -2.02 0.00 0.00 63.50 61.75 1ffy n PRO 328 Cb 0.65 -1.72 0.32 0.00 -0.02 0.00 0.00 33.50 32.72 1ffy n PRO 328 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1ffy h GLY 329 N 0.00 0.00 -5.07 -1.23 0.00 -1.90 -3.38 103.07 91.49 1ffy h GLY 329 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.05 1ffy h GLY 329 CO 0.00 0.00 -0.84 1.42 0.00 0.00 0.00 176.54 177.12 1ffy n HIS 330 N -2.67 -0.25 -3.66 5.60 8.25 -0.05 -3.12 115.22 119.32 1ffy n HIS 330 Ca 0.04 -2.32 -0.11 0.00 -0.26 0.00 0.00 57.72 55.07 1ffy n HIS 330 Cb 0.46 0.44 -0.08 0.00 1.12 0.00 0.00 29.99 31.93 1ffy n HIS 330 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1ffy s GLY 331 N -2.45 -0.50 0.00 -1.41 0.00 -1.26 -4.77 107.32 96.93 1ffy s GLY 331 Ca 0.24 1.92 0.00 0.00 0.00 0.00 0.00 44.72 46.88 1ffy s GLY 331 CO -0.03 1.79 0.00 -2.21 0.00 0.00 0.00 173.10 172.65 1ffy n GLU 332 N 3.36 0.00 0.03 2.90 4.07 -1.26 -2.19 120.64 127.55 1ffy n GLU 332 Ca -0.17 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 57.02 1ffy n GLU 332 Cb 0.57 -0.43 0.36 0.00 -0.06 0.00 0.00 31.44 31.88 1ffy n GLU 332 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1ffy n ASP 333 N 0.00 0.18 0.07 4.31 5.68 -1.26 -1.43 116.55 124.10 1ffy n ASP 333 Ca 0.00 0.54 0.08 0.00 -0.50 0.00 0.00 54.79 54.91 1ffy n ASP 333 Cb 0.00 -0.58 0.36 0.00 -1.14 0.00 0.00 41.12 39.76 1ffy n ASP 333 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1ffy n ASP 334 N -1.70 0.31 -0.12 -1.12 -0.08 -1.21 -2.11 116.55 110.53 1ffy n ASP 334 Ca 0.03 0.60 -0.15 0.00 -1.51 0.00 0.00 54.79 53.76 1ffy n ASP 334 Cb 0.19 -0.66 -0.13 0.00 2.34 0.00 0.00 41.12 42.86 1ffy n ASP 334 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ffy n TYR 335 N -1.87 0.00 0.00 -0.67 9.36 -0.52 -3.59 117.16 119.87 1ffy n TYR 335 Ca 0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.23 1ffy n TYR 335 Cb 0.13 -0.97 0.00 0.00 -0.63 0.00 0.00 39.34 37.87 1ffy n TYR 335 CO 0.00 0.00 0.00 0.44 0.22 0.00 0.00 176.86 177.52 1ffy n ILE 336 N -3.09 0.00 0.32 2.97 -5.35 -0.89 -2.89 119.36 110.43 1ffy n ILE 336 Ca -0.41 1.16 0.20 0.00 -0.27 0.00 0.00 62.75 63.42 1ffy n ILE 336 Cb 1.02 -2.11 1.04 0.00 -1.74 0.00 0.00 39.64 37.86 1ffy n ILE 336 CO 0.00 0.00 0.00 1.62 -1.76 0.00 0.00 176.55 176.41 1ffy h VAL 337 N 0.00 0.00 -3.22 7.28 3.04 -1.83 -3.14 116.25 118.38 1ffy h VAL 337 Ca 0.00 0.00 -0.73 0.00 -1.01 0.00 0.00 66.70 64.96 1ffy h VAL 337 Cb 0.00 0.85 -0.33 0.00 -2.01 0.00 0.00 31.29 29.80 1ffy h VAL 337 CO 0.00 0.00 0.12 0.61 -1.01 0.00 0.00 177.57 177.29 1ffy n GLY 338 N -1.14 4.35 0.00 3.17 0.00 -1.14 -4.36 105.19 106.07 1ffy n GLY 338 Ca -0.03 -2.62 0.00 0.00 0.00 0.00 0.00 46.02 43.38 1ffy n GLY 338 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ffy n GLN 339 N 2.13 0.00 -0.49 1.61 0.00 -1.18 -4.45 117.38 114.99 1ffy n GLN 339 Ca 0.24 0.00 0.42 0.00 -0.00 0.00 0.00 57.00 57.66 1ffy n GLN 339 Cb 0.37 0.00 0.76 0.00 0.00 0.00 0.00 30.24 31.37 1ffy n GLN 339 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 1ffy h GLN 340 N 0.00 0.03 -6.20 3.69 4.20 -1.76 -3.39 115.11 111.67 1ffy h GLN 340 Ca 0.00 -0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 1ffy h GLN 340 Cb 0.00 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 1ffy h GLN 340 CO 0.00 0.02 -0.49 0.71 -0.67 0.00 0.00 178.83 178.39 1ffy s TYR 341 N -4.98 3.11 -0.76 2.96 1.51 -1.26 -4.99 117.35 112.93 1ffy s TYR 341 Ca -0.05 -0.14 -0.24 0.00 -1.01 0.00 0.00 57.07 55.62 1ffy s TYR 341 Cb 0.25 -1.52 -0.16 0.00 -0.11 0.00 0.00 41.96 40.42 1ffy s TYR 341 CO 0.84 0.43 2.43 -0.85 -1.11 0.00 0.00 175.55 177.29 1ffy n GLU 342 N -1.26 0.53 -3.90 -0.62 0.00 -1.26 -4.88 120.64 109.25 1ffy n GLU 342 Ca -0.06 -0.27 -0.26 0.00 0.00 0.00 0.00 57.16 56.56 1ffy n GLU 342 Cb 0.58 -2.78 -0.17 0.00 0.00 0.00 0.00 31.44 29.07 1ffy n GLU 342 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1ffy s LEU 343 N 10.50 1.13 -0.03 -1.84 1.43 -1.26 -5.07 118.68 123.53 1ffy s LEU 343 Ca 1.09 -0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 53.61 1ffy s LEU 343 Cb -0.47 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.93 1ffy s LEU 343 CO 0.30 -0.12 1.07 -2.16 0.23 0.00 0.00 176.35 175.66 1ffy s PRO 344 N 1.72 4.46 -0.10 1.29 0.04 -1.26 -4.97 135.00 136.18 1ffy s PRO 344 Ca 0.05 1.52 -0.32 0.00 0.04 0.00 0.00 61.00 62.29 1ffy s PRO 344 Cb -0.13 -3.48 -0.09 0.00 0.04 0.00 0.00 34.50 30.84 1ffy s PRO 344 CO -0.08 -0.24 2.02 0.28 0.04 0.00 0.00 177.00 179.02 1ffy n VAL 345 N 4.23 0.56 -3.50 -0.36 0.31 -1.26 -4.94 118.33 113.38 1ffy n VAL 345 Ca 0.08 -0.21 -0.30 0.00 -0.01 0.00 0.00 64.34 63.90 1ffy n VAL 345 Cb 0.49 -2.15 -0.04 0.00 -0.91 0.00 0.00 33.84 31.22 1ffy n VAL 345 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1ffy s ILE 346 N 5.44 5.07 0.36 2.52 -0.00 -1.26 -4.98 121.20 128.35 1ffy s ILE 346 Ca 0.95 0.09 0.00 0.00 -0.00 0.00 0.00 60.65 61.68 1ffy s ILE 346 Cb -0.55 -3.68 0.00 0.00 -0.00 0.00 0.00 42.46 38.24 1ffy s ILE 346 CO 0.45 -0.15 0.00 -1.20 -0.00 0.00 0.00 174.94 174.04 1ffy n SER 347 N -0.44 -5.39 0.00 4.36 7.64 -1.26 -4.16 113.62 114.37 1ffy n SER 347 Ca -0.02 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1ffy n SER 347 Cb 0.53 -2.74 0.00 0.00 -1.01 0.00 0.00 64.21 60.99 1ffy n SER 347 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1ffy n PRO 348 N -1.86 0.00 -0.91 1.43 -0.04 -1.26 -4.98 135.00 127.38 1ffy n PRO 348 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ffy n PRO 348 Cb 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.68 1ffy n PRO 348 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1ffy n ILE 349 N 0.00 -2.57 -1.15 0.52 5.41 -1.25 -4.96 119.36 115.34 1ffy n ILE 349 Ca 0.00 0.16 -0.06 0.00 1.00 0.00 0.00 62.75 63.85 1ffy n ILE 349 Cb 0.00 -2.83 0.04 0.00 -0.71 0.00 0.00 39.64 36.14 1ffy n ILE 349 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1ffy n ASP 350 N 0.09 -0.06 0.00 4.38 -0.08 0.21 -4.84 116.55 116.25 1ffy n ASP 350 Ca 0.00 -1.07 0.00 0.00 -1.51 0.00 0.00 54.79 52.21 1ffy n ASP 350 Cb 0.00 -0.21 0.00 0.00 2.34 0.00 0.00 41.12 43.25 1ffy n ASP 350 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1ffy n ASP 351 N -3.19 0.00 -4.62 1.67 8.00 -1.26 -4.35 116.55 112.80 1ffy n ASP 351 Ca 0.03 0.31 -0.26 0.00 0.71 0.00 0.00 54.79 55.59 1ffy n ASP 351 Cb 0.12 -0.31 -0.08 0.00 -0.02 0.00 0.00 41.12 40.82 1ffy n ASP 351 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1ffy s LYS 352 N -2.58 2.23 0.00 -1.24 1.02 -1.26 -4.08 119.74 113.82 1ffy s LYS 352 Ca 0.00 -1.23 0.00 0.00 0.02 0.00 0.00 55.97 54.76 1ffy s LYS 352 Cb 0.00 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.08 1ffy s LYS 352 CO 0.00 0.43 0.17 0.41 -0.92 0.00 0.00 175.35 175.44 1ffy n GLY 353 N -0.17 0.00 3.85 -3.33 0.00 -1.26 -4.65 105.19 99.63 1ffy n GLY 353 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1ffy n GLY 353 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ffy s VAL 354 N -1.91 4.97 0.02 1.61 0.11 -1.26 -1.28 120.40 122.66 1ffy s VAL 354 Ca 0.00 0.67 0.00 0.00 -2.93 0.00 0.00 61.98 59.72 1ffy s VAL 354 Cb 0.00 -3.70 -0.00 0.00 -1.53 0.00 0.00 36.38 31.15 1ffy s VAL 354 CO 0.00 0.28 0.00 2.22 -3.33 0.00 0.00 175.10 174.27 1ffy n PHE 355 N 0.91 0.03 0.00 1.54 1.16 -1.26 0.63 117.46 120.47 1ffy n PHE 355 Ca -0.07 -0.10 0.00 0.00 -1.87 0.00 0.00 57.45 55.41 1ffy n PHE 355 Cb 0.52 -0.01 0.00 0.00 -1.61 0.00 0.00 39.48 38.38 1ffy n PHE 355 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30 1ffy n THR 356 N -0.05 0.00 -1.72 1.97 -1.04 -1.26 -3.99 114.28 108.19 1ffy n THR 356 Ca -0.01 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.60 1ffy n THR 356 Cb 0.03 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.56 1ffy n THR 356 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1ffy n GLU 357 N -1.62 1.88 0.00 -2.82 0.28 -1.26 -2.24 120.64 114.86 1ffy n GLU 357 Ca 0.00 0.68 0.00 0.00 -0.16 0.00 0.00 57.16 57.68 1ffy n GLU 357 Cb 0.00 -2.48 0.00 0.00 1.43 0.00 0.00 31.44 30.39 1ffy n GLU 357 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1ffy n GLU 358 N -0.34 0.00 -1.91 3.44 2.13 -1.26 -4.58 120.64 118.12 1ffy n GLU 358 Ca 0.08 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.47 1ffy n GLU 358 Cb 0.42 -2.53 -0.03 0.00 0.27 0.00 0.00 31.44 29.57 1ffy n GLU 358 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1ffy s GLY 359 N -0.85 1.30 0.00 8.31 0.00 -0.95 -4.96 107.32 110.17 1ffy s GLY 359 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 44.72 45.60 1ffy s GLY 359 CO 0.00 3.23 0.00 0.61 0.00 0.00 0.00 173.10 176.94 1ffy n GLY 360 N 4.58 -0.19 0.26 0.20 0.00 -1.26 -4.32 105.19 104.46 1ffy n GLY 360 Ca 0.20 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.29 1ffy n GLY 360 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ffy h GLN 361 N 0.00 0.00 -4.38 1.61 7.50 -2.00 -3.27 115.11 114.56 1ffy h GLN 361 Ca 0.00 0.00 -0.75 0.00 0.50 0.00 0.00 58.65 58.40 1ffy h GLN 361 Cb 0.00 0.00 -0.21 0.00 0.05 0.00 0.00 27.48 27.32 1ffy h GLN 361 CO 0.00 0.01 0.86 -0.59 -1.50 0.00 0.00 178.83 177.61 1ffy s PHE 362 N -4.99 3.66 -1.40 2.96 -0.12 -1.26 -4.75 117.98 112.08 1ffy s PHE 362 Ca -0.05 -2.12 0.12 0.00 -0.05 0.00 0.00 56.93 54.84 1ffy s PHE 362 Cb 0.17 -4.12 0.18 0.00 -0.63 0.00 0.00 43.02 38.61 1ffy s PHE 362 CO 0.66 -1.25 1.02 0.39 -0.05 0.00 0.00 175.22 175.99 1ffy n GLU 363 N 4.85 1.40 -2.62 1.99 1.02 -1.24 -4.50 120.64 121.54 1ffy n GLU 363 Ca 0.28 -1.52 -0.04 0.00 -0.02 0.00 0.00 57.16 55.86 1ffy n GLU 363 Cb 0.44 -1.26 0.02 0.00 -0.02 0.00 0.00 31.44 30.61 1ffy n GLU 363 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ffy n GLY 364 N 0.69 -0.24 0.00 0.62 0.00 -1.26 -4.25 105.19 100.75 1ffy n GLY 364 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1ffy n GLY 364 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ffy n MET 365 N -0.53 0.00 -3.83 1.61 0.00 -1.26 -4.96 117.12 108.15 1ffy n MET 365 Ca -0.21 0.00 -0.06 0.00 0.00 0.00 0.00 57.70 57.43 1ffy n MET 365 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.91 1ffy n MET 365 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 1ffy s PHE 366 N 0.77 -0.02 -1.62 3.17 -0.12 -1.25 -4.05 117.98 114.85 1ffy s PHE 366 Ca 0.00 -0.48 0.27 0.00 -0.05 0.00 0.00 56.93 56.67 1ffy s PHE 366 Cb 0.00 0.74 0.97 0.00 -0.63 0.00 0.00 43.02 44.10 1ffy s PHE 366 CO 0.00 -1.24 1.70 2.48 -0.05 0.00 0.00 175.22 178.11 1ffy n TYR 367 N -0.53 0.00 0.00 3.49 0.18 -0.41 -4.12 117.16 115.78 1ffy n TYR 367 Ca -0.06 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.72 1ffy n TYR 367 Cb 0.60 -0.17 0.00 0.00 -0.38 0.00 0.00 39.34 39.38 1ffy n TYR 367 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 1ffy n ASP 368 N -0.88 0.00 -0.31 9.48 2.03 -1.26 -4.62 116.55 120.99 1ffy n ASP 368 Ca 0.12 0.00 0.35 0.00 0.52 0.00 0.00 54.79 55.79 1ffy n ASP 368 Cb 0.31 0.00 0.72 0.00 -0.72 0.00 0.00 41.12 41.43 1ffy n ASP 368 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1ffy h LYS 369 N 0.00 0.00 0.00 -0.67 1.57 -2.00 0.60 116.57 116.07 1ffy h LYS 369 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ffy h LYS 369 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1ffy h LYS 369 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 1ffy n ALA 370 N -2.65 1.83 -0.19 3.86 0.00 -1.26 -3.31 120.51 118.79 1ffy n ALA 370 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1ffy n ALA 370 Cb 1.33 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1ffy n ALA 370 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ffy n ASN 371 N -0.53 0.00 0.22 0.00 5.03 0.21 -2.15 115.26 118.03 1ffy n ASN 371 Ca 0.01 0.00 0.01 0.00 0.87 0.00 0.00 54.58 55.46 1ffy n ASN 371 Cb 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 39.78 38.79 1ffy n ASN 371 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 1ffy h LYS 372 N 0.00 0.00 0.00 3.52 1.57 -1.61 -1.36 116.57 118.68 1ffy h LYS 372 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ffy h LYS 372 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1ffy h LYS 372 CO 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 179.45 178.82 1ffy n ALA 373 N -1.35 1.79 0.02 3.86 0.00 -1.21 -4.78 120.51 118.85 1ffy n ALA 373 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1ffy n ALA 373 Cb 0.80 0.03 -0.01 0.00 0.00 0.00 0.00 19.45 20.27 1ffy n ALA 373 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ffy h VAL 374 N 0.00 0.00 0.00 0.00 2.07 -1.48 -3.34 116.25 113.50 1ffy h VAL 374 Ca 0.00 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1ffy h VAL 374 Cb 0.06 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 1ffy h VAL 374 CO 0.00 0.00 0.00 1.07 0.02 0.00 0.00 177.57 178.66 1ffy n THR 375 N -3.61 0.85 0.79 2.57 5.66 -0.91 -2.05 114.28 117.58 1ffy n THR 375 Ca -0.01 0.27 0.04 0.00 -3.05 0.00 0.00 64.05 61.30 1ffy n THR 375 Cb 0.04 -1.20 0.26 0.00 -1.55 0.00 0.00 70.33 67.88 1ffy n THR 375 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1ffy n ASP 376 N -2.22 0.00 0.29 1.09 2.03 -0.56 -2.02 116.55 115.16 1ffy n ASP 376 Ca 0.02 -0.52 -0.12 0.00 0.52 0.00 0.00 54.79 54.69 1ffy n ASP 376 Cb 0.21 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.55 1ffy n ASP 376 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1ffy h LEU 377 N 0.00 -0.66 -8.36 -2.67 5.85 -1.60 -3.37 115.31 104.50 1ffy h LEU 377 Ca 0.00 0.02 -0.52 0.00 0.84 0.00 0.00 57.88 58.22 1ffy h LEU 377 Cb 0.00 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 1ffy h LEU 377 CO 0.00 -0.26 1.17 -0.76 -0.34 0.00 0.00 178.44 178.25 1ffy s LEU 378 N -9.37 3.23 0.00 2.25 1.02 -0.86 -4.61 118.68 110.35 1ffy s LEU 378 Ca -0.11 -0.35 0.00 0.00 0.02 0.00 0.00 54.13 53.68 1ffy s LEU 378 Cb 0.01 -2.55 0.00 0.00 0.02 0.00 0.00 46.19 43.67 1ffy s LEU 378 CO 0.34 -2.00 0.00 1.07 0.02 0.00 0.00 176.35 175.78 1ffy n THR 379 N 6.74 0.00 0.66 5.49 5.66 -1.26 -4.96 114.28 126.62 1ffy n THR 379 Ca 0.13 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.20 1ffy n THR 379 Cb 0.50 0.00 0.35 0.00 -1.55 0.00 0.00 70.33 69.63 1ffy n THR 379 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1ffy n GLU 380 N 0.00 0.21 -0.25 1.09 -0.00 -1.26 -2.71 120.64 117.72 1ffy n GLU 380 Ca 0.00 0.15 0.00 0.00 -0.00 0.00 0.00 57.16 57.31 1ffy n GLU 380 Cb 0.00 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 29.94 1ffy n GLU 380 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1ffy n LYS 381 N -1.27 0.54 0.00 3.44 5.02 -1.26 -3.16 118.16 121.47 1ffy n LYS 381 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1ffy n LYS 381 Cb 0.10 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1ffy n LYS 381 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ffy n GLY 382 N 1.64 0.37 0.08 0.72 0.00 -1.25 -4.99 105.19 101.76 1ffy n GLY 382 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1ffy n GLY 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ffy n ALA 383 N 0.00 1.97 -2.83 4.61 0.00 -1.10 -4.94 120.51 118.21 1ffy n ALA 383 Ca 0.00 -1.51 -0.01 0.00 0.00 0.00 0.00 53.44 51.92 1ffy n ALA 383 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 19.45 19.25 1ffy n ALA 383 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ffy n LEU 384 N -0.71 -4.26 0.00 0.00 4.77 -1.19 -0.55 117.00 115.05 1ffy n LEU 384 Ca 0.06 1.23 -0.29 0.00 -0.03 0.00 0.00 56.01 56.97 1ffy n LEU 384 Cb 0.47 -1.84 -0.06 0.00 -2.33 0.00 0.00 43.42 39.66 1ffy n LEU 384 CO 0.00 -2.82 -0.20 0.18 -1.33 0.00 0.00 177.39 173.23 1ffy n LEU 385 N 2.32 0.00 -2.96 2.23 7.99 -1.22 -3.72 117.00 121.63 1ffy n LEU 385 Ca -0.06 -2.89 -0.11 0.00 -0.01 0.00 0.00 56.01 52.94 1ffy n LEU 385 Cb 0.10 0.29 -0.02 0.00 -0.11 0.00 0.00 43.42 43.68 1ffy n LEU 385 CO 0.06 -0.42 -0.02 -0.54 -1.51 0.00 0.00 177.39 174.96 1ffy s LYS 386 N -3.71 1.02 -0.39 3.23 1.02 -1.26 -4.89 119.74 114.77 1ffy s LYS 386 Ca 0.02 -1.37 -0.28 0.00 0.02 0.00 0.00 55.97 54.36 1ffy s LYS 386 Cb -0.00 -0.47 -0.03 0.00 -0.52 0.00 0.00 37.83 36.81 1ffy s LYS 386 CO 0.01 -1.35 1.96 -1.17 -0.92 0.00 0.00 175.35 173.89 1ffy s LEU 387 N 0.64 3.44 0.22 3.17 2.96 -1.26 -4.27 118.68 123.58 1ffy s LEU 387 Ca 0.31 1.19 0.10 0.00 -0.22 0.00 0.00 54.13 55.50 1ffy s LEU 387 Cb 0.01 -3.19 -0.05 0.00 0.50 0.00 0.00 46.19 43.47 1ffy s LEU 387 CO -0.10 -2.04 -0.19 -1.81 -1.32 0.00 0.00 176.35 170.89 1ffy s ASP 388 N 7.67 3.13 -0.23 3.68 1.01 -0.73 -5.00 116.67 126.20 1ffy s ASP 388 Ca 0.83 -0.95 -0.03 0.00 0.71 0.00 0.00 52.55 53.10 1ffy s ASP 388 Cb -0.22 -0.22 -0.00 0.00 1.01 0.00 0.00 42.92 43.49 1ffy s ASP 388 CO 0.30 -0.00 -0.05 -0.36 0.21 0.00 0.00 175.17 175.27 1ffy s PHE 389 N -2.32 2.97 0.24 4.23 0.40 -1.26 -0.90 117.98 121.34 1ffy s PHE 389 Ca 0.23 -1.08 0.07 0.00 -0.60 0.00 0.00 56.93 55.55 1ffy s PHE 389 Cb -0.05 -2.10 -0.05 0.00 0.51 0.00 0.00 43.02 41.33 1ffy s PHE 389 CO 0.10 -0.59 -0.09 0.42 0.70 0.00 0.00 175.22 175.76 1ffy s ILE 390 N 1.45 1.58 -0.09 0.64 -1.09 -0.67 -4.99 121.20 118.03 1ffy s ILE 390 Ca 0.05 -2.15 0.04 0.00 -2.23 0.00 0.00 60.65 56.36 1ffy s ILE 390 Cb -0.15 -2.24 0.00 0.00 -1.58 0.00 0.00 42.46 38.50 1ffy s ILE 390 CO -0.04 -0.45 -0.21 -0.89 -1.23 0.00 0.00 174.94 172.12 1ffy s THR 391 N -3.06 1.83 0.13 2.92 2.01 -1.26 -1.60 115.64 116.60 1ffy s THR 391 Ca 0.26 -0.89 -0.14 0.00 0.31 0.00 0.00 61.69 61.23 1ffy s THR 391 Cb 0.02 -1.59 0.02 0.00 0.01 0.00 0.00 72.50 70.96 1ffy s THR 391 CO 0.09 0.51 0.36 -1.38 -0.69 0.00 0.00 174.62 173.51 1ffy s HIS 392 N 0.36 -0.06 0.20 4.92 -3.43 -1.19 -4.94 115.29 111.14 1ffy s HIS 392 Ca -0.16 -0.28 -0.31 0.00 -0.80 0.00 0.00 55.06 53.51 1ffy s HIS 392 Cb -0.17 0.18 -0.09 0.00 -1.43 0.00 0.00 32.58 31.06 1ffy s HIS 392 CO 0.07 -0.69 1.43 0.45 -2.00 0.00 0.00 174.74 173.99 1ffy s SER 393 N -2.84 6.73 0.01 7.38 0.15 -1.26 -1.96 113.70 121.91 1ffy s SER 393 Ca 0.05 2.54 0.00 0.00 0.70 0.00 0.00 55.95 59.24 1ffy s SER 393 Cb 0.02 -2.61 -0.01 0.00 -1.71 0.00 0.00 66.02 61.71 1ffy s SER 393 CO -0.10 -0.68 -0.02 -0.47 1.20 0.00 0.00 173.24 173.18 1ffy s TYR 394 N 0.43 0.15 0.18 3.44 5.04 -0.69 -4.94 117.35 120.96 1ffy s TYR 394 Ca 0.62 -0.28 -0.33 0.00 -2.44 0.00 0.00 57.07 54.63 1ffy s TYR 394 Cb -0.40 -0.11 -0.13 0.00 0.35 0.00 0.00 41.96 41.67 1ffy s TYR 394 CO 0.38 -0.10 1.61 -2.30 -1.34 0.00 0.00 175.55 173.80 1ffy n PRO 395 N 2.30 2.33 -4.12 4.97 -0.02 -1.26 -2.51 135.00 136.68 1ffy n PRO 395 Ca -0.18 0.84 -0.13 0.00 -2.02 0.00 0.00 63.50 62.01 1ffy n PRO 395 Cb 0.57 -2.62 -0.11 0.00 -0.02 0.00 0.00 33.50 31.32 1ffy n PRO 395 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1ffy s HIS 396 N 0.91 0.86 -0.21 6.00 3.76 -0.47 -1.74 115.29 124.39 1ffy s HIS 396 Ca 0.77 -0.65 -0.29 0.00 -0.15 0.00 0.00 55.06 54.74 1ffy s HIS 396 Cb -0.63 -0.49 -0.02 0.00 1.11 0.00 0.00 32.58 32.55 1ffy s HIS 396 CO 0.37 -0.07 1.55 0.34 -0.85 0.00 0.00 174.74 176.08 1ffy s ASP 397 N -2.19 6.49 0.58 1.40 -1.08 0.17 -1.86 116.67 120.18 1ffy s ASP 397 Ca 0.00 1.63 0.29 0.00 -0.52 0.00 0.00 52.55 53.95 1ffy s ASP 397 Cb -0.04 -2.53 1.77 0.00 -1.46 0.00 0.00 42.92 40.66 1ffy s ASP 397 CO -0.01 -1.16 2.24 4.11 0.52 0.00 0.00 175.17 180.87 1ffy h TRP 398 N 10.21 0.00 0.10 -5.34 5.08 -1.61 0.94 115.95 125.33 1ffy h TRP 398 Ca -0.33 0.00 -0.37 0.00 1.08 0.00 0.00 58.89 59.28 1ffy h TRP 398 Cb 1.14 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.28 1ffy h TRP 398 CO 0.90 0.00 -2.05 0.54 -1.28 0.00 0.00 178.44 176.55 1ffy n ARG 399 N -3.90 0.74 0.06 0.12 5.12 -1.26 -4.34 116.66 113.19 1ffy n ARG 399 Ca -0.03 0.25 0.12 0.00 -1.93 0.00 0.00 57.85 56.26 1ffy n ARG 399 Cb 0.09 -1.69 0.10 0.00 -1.16 0.00 0.00 32.46 29.81 1ffy n ARG 399 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 1ffy h THR 400 N 0.06 0.00 -0.69 0.55 2.02 -1.93 -3.47 112.91 109.44 1ffy h THR 400 Ca -0.44 -0.59 -0.30 0.00 0.77 0.00 0.00 66.41 65.85 1ffy h THR 400 Cb 2.02 1.10 -0.12 0.00 -1.74 0.00 0.00 68.15 69.41 1ffy h THR 400 CO 0.07 0.00 -0.27 0.29 0.37 0.00 0.00 175.52 175.98 1ffy n LYS 401 N -2.20 -1.54 -3.99 6.66 4.76 0.32 -4.97 118.16 117.21 1ffy n LYS 401 Ca 0.02 1.01 -0.22 0.00 -2.87 0.00 0.00 58.31 56.25 1ffy n LYS 401 Cb 0.46 -5.38 -0.03 0.00 -1.84 0.00 0.00 35.03 28.25 1ffy n LYS 401 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1ffy s LYS 402 N -3.21 3.35 0.61 1.97 -0.14 -1.24 -4.78 119.74 116.30 1ffy s LYS 402 Ca 0.00 -0.78 -0.19 0.00 -1.36 0.00 0.00 55.97 53.64 1ffy s LYS 402 Cb 0.00 -2.85 -0.03 0.00 -1.68 0.00 0.00 37.83 33.27 1ffy s LYS 402 CO 0.00 0.44 1.26 -2.30 -0.76 0.00 0.00 175.35 173.99 1ffy n PRO 403 N -1.20 1.24 -4.30 -1.68 -0.02 -1.26 0.44 135.00 128.22 1ffy n PRO 403 Ca -0.08 0.48 -0.28 0.00 -2.02 0.00 0.00 63.50 61.59 1ffy n PRO 403 Cb 0.57 -2.48 -0.10 0.00 -0.02 0.00 0.00 33.50 31.46 1ffy n PRO 403 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ffy s VAL 404 N -1.38 2.99 0.14 -1.45 1.01 -0.71 -4.53 120.40 116.47 1ffy s VAL 404 Ca 0.78 -1.62 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1ffy s VAL 404 Cb -0.40 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 1ffy s VAL 404 CO 0.44 -0.02 -0.01 0.27 0.00 0.00 0.00 175.10 175.78 1ffy s ILE 405 N -1.47 0.60 0.12 2.22 -4.36 -0.42 -4.82 121.20 113.07 1ffy s ILE 405 Ca 0.22 -1.95 -0.15 0.00 -0.26 0.00 0.00 60.65 58.51 1ffy s ILE 405 Cb -0.09 -1.96 -0.07 0.00 1.25 0.00 0.00 42.46 41.59 1ffy s ILE 405 CO 0.13 -0.61 0.54 -0.36 0.24 0.00 0.00 174.94 174.87 1ffy s PHE 406 N -3.70 3.64 -0.19 1.37 0.40 -1.26 0.90 117.98 119.14 1ffy s PHE 406 Ca 0.20 1.08 -0.17 0.00 -0.60 0.00 0.00 56.93 57.44 1ffy s PHE 406 Cb 0.06 -2.37 0.05 0.00 0.51 0.00 0.00 43.02 41.27 1ffy s PHE 406 CO 0.01 0.47 0.51 0.50 0.70 0.00 0.00 175.22 177.40 1ffy s ARG 407 N -1.78 0.58 0.04 0.44 3.52 -0.92 -4.62 118.95 116.21 1ffy s ARG 407 Ca 0.35 0.74 -0.30 0.00 -0.13 0.00 0.00 55.73 56.39 1ffy s ARG 407 Cb -0.16 0.25 -0.05 0.00 -1.56 0.00 0.00 34.95 33.43 1ffy s ARG 407 CO 0.19 -0.08 1.17 0.00 -0.81 0.00 0.00 175.30 175.77 1ffy s ALA 408 N 0.45 3.37 0.09 6.12 0.00 -1.18 -0.73 121.76 129.88 1ffy s ALA 408 Ca -0.01 0.79 0.08 0.00 0.00 0.00 0.00 51.96 52.81 1ffy s ALA 408 Cb -0.04 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 1ffy s ALA 408 CO -0.02 -0.45 -0.20 0.99 0.00 0.00 0.00 175.76 176.08 1ffy s THR 409 N 1.19 1.66 0.18 0.00 2.01 0.29 -4.83 115.64 116.13 1ffy s THR 409 Ca 0.58 -1.44 -0.31 0.00 0.31 0.00 0.00 61.69 60.83 1ffy s THR 409 Cb -0.28 -1.50 -0.10 0.00 0.01 0.00 0.00 72.50 70.64 1ffy s THR 409 CO 0.28 -0.01 1.49 -2.84 -0.69 0.00 0.00 174.62 172.85 1ffy s PRO 410 N -1.72 4.26 0.08 4.92 0.02 -1.26 -0.57 135.00 140.73 1ffy s PRO 410 Ca 0.06 2.28 -0.00 0.00 0.02 0.00 0.00 61.00 63.36 1ffy s PRO 410 Cb -0.10 -3.16 -0.04 0.00 0.02 0.00 0.00 34.50 31.23 1ffy s PRO 410 CO 0.04 -0.51 -0.02 -0.65 -0.33 0.00 0.00 177.00 175.53 1ffy s GLN 411 N 0.61 0.75 -0.07 5.54 -1.52 -0.99 -4.87 119.66 119.11 1ffy s GLN 411 Ca 0.65 -1.30 -0.02 0.00 -1.95 0.00 0.00 55.36 52.74 1ffy s GLN 411 Cb -0.42 0.10 -0.04 0.00 -0.22 0.00 0.00 33.01 32.44 1ffy s GLN 411 CO 0.35 -0.12 0.04 -1.58 -0.25 0.00 0.00 175.29 173.73 1ffy s TRP 412 N -3.86 3.25 0.18 0.91 0.52 -1.26 -0.55 118.94 118.12 1ffy s TRP 412 Ca 0.12 0.24 0.08 0.00 0.02 0.00 0.00 56.10 56.56 1ffy s TRP 412 Cb 0.07 -1.79 -0.04 0.00 -1.15 0.00 0.00 33.47 30.56 1ffy s TRP 412 CO -0.06 0.53 -0.15 -0.06 0.02 0.00 0.00 176.95 177.23 1ffy s PHE 413 N -0.99 1.70 -0.15 -1.98 0.40 -0.09 -1.29 117.98 115.58 1ffy s PHE 413 Ca 0.16 -0.54 -0.02 0.00 -0.60 0.00 0.00 56.93 55.92 1ffy s PHE 413 Cb -0.12 -0.82 -0.02 0.00 0.51 0.00 0.00 43.02 42.58 1ffy s PHE 413 CO 0.06 0.32 -0.07 0.00 0.70 0.00 0.00 175.22 176.23 1ffy s ALA 414 N -2.62 2.86 -1.12 5.36 0.00 0.30 -2.18 121.76 124.37 1ffy s ALA 414 Ca 0.19 -0.85 -0.21 0.00 0.00 0.00 0.00 51.96 51.09 1ffy s ALA 414 Cb -0.03 -1.44 0.05 0.00 0.00 0.00 0.00 23.12 21.70 1ffy s ALA 414 CO 0.06 0.22 1.59 0.45 0.00 0.00 0.00 175.76 178.08 1ffy s SER 415 N 0.37 6.51 0.19 0.00 0.15 0.25 -2.63 113.70 118.55 1ffy s SER 415 Ca -0.06 -1.77 -0.08 0.00 0.70 0.00 0.00 55.95 54.74 1ffy s SER 415 Cb -0.15 -2.57 0.11 0.00 -1.71 0.00 0.00 66.02 61.70 1ffy s SER 415 CO 0.04 -1.50 1.66 0.40 1.20 0.00 0.00 173.24 175.04 1ffy h ILE 416 N 6.38 1.26 -0.50 6.45 1.08 -1.88 -2.93 117.51 127.38 1ffy h ILE 416 Ca 0.28 -1.13 0.09 0.00 -0.39 0.00 0.00 64.86 63.71 1ffy h ILE 416 Cb 0.96 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 35.47 1ffy h ILE 416 CO 1.42 0.41 0.34 0.77 -0.69 0.00 0.00 178.15 180.40 1ffy h SER 417 N 0.96 0.25 1.69 1.72 4.64 -1.88 0.41 113.55 121.35 1ffy h SER 417 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1ffy h SER 417 Cb 0.54 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1ffy h SER 417 CO 0.03 0.16 0.00 0.11 -0.87 0.00 0.00 176.83 176.25 1ffy h LYS 418 N 0.28 0.00 -0.00 4.77 1.57 -1.92 -3.29 116.57 117.98 1ffy h LYS 418 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1ffy h LYS 418 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1ffy h LYS 418 CO -0.05 0.00 -0.01 1.33 -0.57 0.00 0.00 179.45 180.15 1ffy n VAL 419 N -2.67 0.00 -0.10 0.50 0.24 -0.47 -4.84 118.33 110.99 1ffy n VAL 419 Ca 0.05 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.34 61.74 1ffy n VAL 419 Cb 0.47 1.06 -0.08 0.00 -1.47 0.00 0.00 33.84 33.81 1ffy n VAL 419 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1ffy h ARG 420 N 0.52 -0.33 -0.49 7.34 2.43 -0.31 -0.11 114.38 123.43 1ffy h ARG 420 Ca 0.00 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.28 1ffy h ARG 420 Cb 0.12 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 1ffy h ARG 420 CO 0.00 -0.22 0.33 0.37 -1.51 0.00 0.00 179.97 178.94 1ffy h GLN 421 N -0.35 0.26 -0.35 0.20 5.75 -1.86 0.80 115.11 119.56 1ffy h GLN 421 Ca 0.05 -0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.42 1ffy h GLN 421 Cb 0.50 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.98 1ffy h GLN 421 CO -0.47 0.17 -0.27 -0.44 -2.65 0.00 0.00 178.83 175.17 1ffy h ASP 422 N 0.27 0.74 -0.14 -0.69 3.45 -1.43 -1.44 116.42 117.18 1ffy h ASP 422 Ca 0.22 -0.28 -0.23 0.00 0.43 0.00 0.00 57.03 57.18 1ffy h ASP 422 Cb 0.54 -0.20 0.01 0.00 -0.56 0.00 0.00 39.33 39.11 1ffy h ASP 422 CO -0.05 0.97 -0.80 0.40 -1.57 0.00 0.00 179.24 178.20 1ffy h ILE 423 N 0.62 1.28 -0.39 0.35 2.04 0.47 -2.57 117.51 119.30 1ffy h ILE 423 Ca 0.08 -1.99 0.04 0.00 1.00 0.00 0.00 64.86 63.99 1ffy h ILE 423 Cb 0.78 2.02 -0.04 0.00 -0.74 0.00 0.00 36.82 38.84 1ffy h ILE 423 CO 0.06 0.63 0.15 -0.07 0.00 0.00 0.00 178.15 178.93 1ffy h LEU 424 N 0.52 0.18 -0.98 1.44 3.38 -0.80 -1.06 115.31 117.98 1ffy h LEU 424 Ca -0.06 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1ffy h LEU 424 Cb 1.43 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.18 1ffy h LEU 424 CO 0.16 0.14 -0.04 0.44 0.09 0.00 0.00 178.44 179.24 1ffy h ASP 425 N 0.32 0.67 0.40 -0.43 3.32 -1.27 -1.48 116.42 117.94 1ffy h ASP 425 Ca 0.18 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 1ffy h ASP 425 Cb 0.14 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1ffy h ASP 425 CO -0.17 0.76 -0.40 0.00 -1.72 0.00 0.00 179.24 177.71 1ffy h ALA 426 N 1.31 1.34 -0.16 3.45 0.00 -0.98 -2.15 119.26 122.07 1ffy h ALA 426 Ca 0.13 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1ffy h ALA 426 Cb 0.46 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ffy h ALA 426 CO 0.02 0.50 -0.28 0.82 0.00 0.00 0.00 179.25 180.30 1ffy h ILE 427 N 0.00 1.35 -0.62 0.00 2.04 -0.67 -2.72 117.51 116.89 1ffy h ILE 427 Ca -0.00 -1.53 0.08 0.00 1.00 0.00 0.00 64.86 64.41 1ffy h ILE 427 Cb 0.70 1.95 -0.04 0.00 -0.74 0.00 0.00 36.82 38.69 1ffy h ILE 427 CO 0.05 0.46 0.41 -0.33 0.00 0.00 0.00 178.15 178.74 1ffy h GLU 428 N 0.11 0.50 -0.24 2.37 5.08 -0.92 0.11 114.58 121.59 1ffy h GLU 428 Ca 0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1ffy h GLU 428 Cb 0.87 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1ffy h GLU 428 CO 0.06 0.33 0.00 0.09 -1.00 0.00 0.00 179.01 178.50 1ffy n ASN 429 N -4.48 1.62 -4.79 1.42 3.02 -0.84 -4.87 115.26 106.34 1ffy n ASN 429 Ca 0.10 -1.84 -0.37 0.00 -0.03 0.00 0.00 54.58 52.44 1ffy n ASN 429 Cb 0.31 -0.16 -0.07 0.00 -0.61 0.00 0.00 39.78 39.26 1ffy n ASN 429 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1ffy s THR 430 N -1.69 5.28 0.28 3.41 2.01 0.38 -5.06 115.64 120.26 1ffy s THR 430 Ca 0.27 0.54 -0.22 0.00 0.31 0.00 0.00 61.69 62.59 1ffy s THR 430 Cb 0.14 -3.60 -0.09 0.00 0.01 0.00 0.00 72.50 68.96 1ffy s THR 430 CO 0.20 0.49 0.83 0.20 -0.69 0.00 0.00 174.62 175.66 1ffy s ASN 431 N -0.30 7.14 0.09 3.53 0.01 -0.71 -4.96 114.94 119.74 1ffy s ASN 431 Ca 0.18 1.59 0.03 0.00 -0.71 0.00 0.00 52.86 53.95 1ffy s ASN 431 Cb -0.14 -2.49 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 1ffy s ASN 431 CO 0.06 -0.05 -0.08 -0.36 -1.51 0.00 0.00 177.10 175.16 1ffy s PHE 432 N -1.64 0.95 0.06 2.20 0.40 -1.26 -1.03 117.98 117.65 1ffy s PHE 432 Ca 0.48 -0.74 -0.16 0.00 -0.60 0.00 0.00 56.93 55.92 1ffy s PHE 432 Cb -0.16 -0.53 -0.20 0.00 0.51 0.00 0.00 43.02 42.63 1ffy s PHE 432 CO 0.21 -0.06 1.21 -0.22 0.70 0.00 0.00 175.22 177.05 1ffy h LYS 433 N 3.43 0.63 -5.05 0.44 1.63 -1.98 -3.45 116.57 112.21 1ffy h LYS 433 Ca -0.36 -0.59 -0.49 0.00 -0.85 0.00 0.00 60.65 58.35 1ffy h LYS 433 Cb 1.18 0.15 -0.30 0.00 -0.60 0.00 0.00 32.23 32.66 1ffy h LYS 433 CO 0.56 1.20 -0.81 0.54 -3.45 0.00 0.00 179.45 177.49 1ffy s VAL 434 N -3.48 1.11 0.45 2.00 0.11 -1.26 -5.06 120.40 114.27 1ffy s VAL 434 Ca -0.11 -0.56 0.17 0.00 -2.93 0.00 0.00 61.98 58.55 1ffy s VAL 434 Cb 0.06 -0.96 0.35 0.00 -1.53 0.00 0.00 36.38 34.31 1ffy s VAL 434 CO 0.88 0.33 1.96 -1.13 -3.33 0.00 0.00 175.10 173.80 1ffy h ASN 435 N 6.16 0.31 0.70 3.54 -0.73 -2.02 -1.66 115.58 121.87 1ffy h ASN 435 Ca -0.33 0.01 0.00 0.00 1.87 0.00 0.00 56.30 57.85 1ffy h ASN 435 Cb 1.17 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.71 1ffy h ASN 435 CO 0.48 0.17 0.00 4.11 -0.37 0.00 0.00 177.43 181.82 1ffy h TRP 436 N 0.33 0.00 -0.72 0.67 5.08 -1.99 -2.05 115.95 117.28 1ffy h TRP 436 Ca 0.31 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 60.21 1ffy h TRP 436 Cb 0.76 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.89 1ffy h TRP 436 CO -0.00 0.00 0.18 0.78 -1.28 0.00 0.00 178.44 178.12 1ffy h GLY 437 N 1.41 1.23 1.07 11.11 0.00 -1.72 0.59 103.07 116.76 1ffy h GLY 437 Ca 0.00 -0.76 -0.11 0.00 0.00 0.00 0.00 47.33 46.45 1ffy h GLY 437 CO 0.00 0.71 -0.13 1.70 0.00 0.00 0.00 176.54 178.82 1ffy h LYS 438 N 1.08 0.97 -0.41 4.80 3.64 -1.50 -3.07 116.57 122.07 1ffy h LYS 438 Ca 0.23 -0.38 -0.09 0.00 -1.27 0.00 0.00 60.65 59.14 1ffy h LYS 438 Cb 0.36 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1ffy h LYS 438 CO 0.00 1.05 -0.11 1.15 -2.27 0.00 0.00 179.45 179.26 1ffy h THR 439 N 0.83 1.28 0.24 1.00 2.02 -1.15 -2.02 112.91 115.10 1ffy h THR 439 Ca 0.13 -1.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.09 1ffy h THR 439 Cb 0.69 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1ffy h THR 439 CO 0.05 0.41 -0.18 -0.09 0.37 0.00 0.00 175.52 176.08 1ffy h ARG 440 N 0.62 -0.40 0.00 6.66 2.43 -0.86 -1.94 114.38 120.88 1ffy h ARG 440 Ca 0.10 0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 1ffy h ARG 440 Cb 0.65 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1ffy h ARG 440 CO 0.04 -0.27 -0.36 0.97 -1.51 0.00 0.00 179.97 178.85 1ffy h ILE 441 N -0.42 0.81 0.74 1.20 2.10 -1.62 -2.46 117.51 117.87 1ffy h ILE 441 Ca -0.01 -1.51 -0.04 0.00 1.08 0.00 0.00 64.86 64.38 1ffy h ILE 441 Cb 0.37 1.95 0.01 0.00 -1.09 0.00 0.00 36.82 38.05 1ffy h ILE 441 CO -0.00 0.35 -0.36 0.22 -1.08 0.00 0.00 178.15 177.28 1ffy h TYR 442 N 0.00 -0.93 -0.43 2.19 3.20 -1.05 -1.50 116.97 118.45 1ffy h TYR 442 Ca -0.00 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.96 1ffy h TYR 442 Cb 0.92 0.31 -0.02 0.00 1.54 0.00 0.00 36.73 39.48 1ffy h TYR 442 CO 0.00 -0.58 0.31 -0.91 -1.64 0.00 0.00 178.16 175.34 1ffy h ASN 443 N -1.17 0.07 0.41 -2.11 2.35 -1.40 -0.85 115.58 112.88 1ffy h ASN 443 Ca -0.10 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 1ffy h ASN 443 Cb 0.77 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 1ffy h ASN 443 CO 0.17 0.04 -0.31 -0.03 -1.65 0.00 0.00 177.43 175.65 1ffy h MET 444 N 0.08 -0.67 0.00 0.81 1.85 -1.11 -0.21 114.93 115.69 1ffy h MET 444 Ca 0.21 0.05 -0.01 0.00 -0.61 0.00 0.00 59.70 59.33 1ffy h MET 444 Cb 0.71 0.15 -0.00 0.00 0.43 0.00 0.00 31.60 32.89 1ffy h MET 444 CO -0.02 -0.45 -0.07 0.28 -0.40 0.00 0.00 176.91 176.26 1ffy h VAL 445 N -0.70 0.74 -0.05 -5.77 2.07 -0.57 -2.08 116.25 109.89 1ffy h VAL 445 Ca -0.05 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1ffy h VAL 445 Cb 0.58 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1ffy h VAL 445 CO 0.01 0.07 -0.07 -0.09 0.02 0.00 0.00 177.57 177.51 1ffy h ARG 446 N 0.00 0.13 -0.37 1.57 2.43 -0.84 -3.23 114.38 114.08 1ffy h ARG 446 Ca -0.00 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1ffy h ARG 446 Cb 0.15 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1ffy h ARG 446 CO 0.01 0.62 0.00 -0.25 -1.51 0.00 0.00 179.97 178.84 1ffy n ASP 447 N -4.72 1.93 -4.71 -3.80 8.00 -0.12 -4.93 116.55 108.20 1ffy n ASP 447 Ca -0.08 -2.02 -0.42 0.00 0.71 0.00 0.00 54.79 52.99 1ffy n ASP 447 Cb 0.31 -0.25 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1ffy n ASP 447 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1ffy s ARG 448 N -1.54 4.52 0.79 -1.24 3.52 -0.80 -5.05 118.95 119.13 1ffy s ARG 448 Ca 0.24 1.60 -0.09 0.00 -0.13 0.00 0.00 55.73 57.34 1ffy s ARG 448 Cb 0.12 -3.39 0.17 0.00 -1.56 0.00 0.00 34.95 30.30 1ffy s ARG 448 CO 0.16 -0.11 1.07 0.41 -0.81 0.00 0.00 175.30 176.02 1ffy n GLY 449 N 2.92 -0.60 3.72 8.12 0.00 -1.26 -4.83 105.19 113.25 1ffy n GLY 449 Ca 0.07 -1.84 -0.39 0.00 0.00 0.00 0.00 46.02 43.87 1ffy n GLY 449 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ffy n GLU 450 N -3.17 1.57 -3.05 1.61 -0.58 -1.26 -4.83 120.64 110.92 1ffy n GLU 450 Ca 0.15 0.58 -0.42 0.00 -0.42 0.00 0.00 57.16 57.04 1ffy n GLU 450 Cb 0.52 -2.48 -0.06 0.00 -0.57 0.00 0.00 31.44 28.85 1ffy n GLU 450 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 1ffy s TRP 451 N -1.31 3.08 -0.33 -0.32 -0.00 -1.08 -4.94 118.94 114.04 1ffy s TRP 451 Ca 0.71 0.22 -0.29 0.00 -0.00 0.00 0.00 56.10 56.75 1ffy s TRP 451 Cb -0.43 -3.36 0.01 0.00 -0.00 0.00 0.00 33.47 29.69 1ffy s TRP 451 CO 0.49 -0.80 1.16 0.08 -0.00 0.00 0.00 176.95 177.89 1ffy s VAL 452 N 2.94 4.35 -2.34 5.86 1.01 -1.26 -0.54 120.40 130.41 1ffy s VAL 452 Ca 0.26 1.52 0.19 0.00 0.00 0.00 0.00 61.98 63.96 1ffy s VAL 452 Cb -0.14 -4.35 0.19 0.00 0.00 0.00 0.00 36.38 32.08 1ffy s VAL 452 CO 0.18 -0.54 1.14 2.30 0.00 0.00 0.00 175.10 178.18 1ffy n ILE 453 N 6.10 0.09 -4.21 2.22 -5.35 -0.41 -4.86 119.36 112.94 1ffy n ILE 453 Ca 0.13 -0.54 -0.30 0.00 -0.27 0.00 0.00 62.75 61.76 1ffy n ILE 453 Cb 0.47 1.32 -0.09 0.00 -1.74 0.00 0.00 39.64 39.60 1ffy n ILE 453 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1ffy s SER 454 N -1.55 4.69 0.00 7.28 1.04 -1.24 -1.72 113.70 122.20 1ffy s SER 454 Ca 0.24 -0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.40 1ffy s SER 454 Cb 0.17 -1.02 -0.00 0.00 0.10 0.00 0.00 66.02 65.26 1ffy s SER 454 CO 0.24 0.19 -0.02 -0.13 0.98 0.00 0.00 173.24 174.50 1ffy s ARG 455 N -2.17 0.16 -1.21 4.02 1.81 -0.69 -4.84 118.95 116.03 1ffy s ARG 455 Ca 0.23 -0.13 -0.08 0.00 -1.72 0.00 0.00 55.73 54.02 1ffy s ARG 455 Cb -0.11 -0.11 0.21 0.00 -0.45 0.00 0.00 34.95 34.48 1ffy s ARG 455 CO 0.15 0.03 1.69 1.04 -0.68 0.00 0.00 175.30 177.53 1ffy n GLN 456 N 2.85 3.83 -4.22 3.54 3.00 -1.26 -1.41 117.38 123.72 1ffy n GLN 456 Ca -0.14 -3.88 -0.14 0.00 -0.01 0.00 0.00 57.00 52.83 1ffy n GLN 456 Cb 0.59 -2.81 -0.09 0.00 0.00 0.00 0.00 30.24 27.93 1ffy n GLN 456 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1ffy s ARG 457 N -0.45 1.41 -0.09 -1.09 1.81 -1.26 -5.04 118.95 114.24 1ffy s ARG 457 Ca 0.37 -1.74 0.12 0.00 -1.72 0.00 0.00 55.73 52.76 1ffy s ARG 457 Cb 0.06 0.30 -0.17 0.00 -0.45 0.00 0.00 34.95 34.69 1ffy s ARG 457 CO 0.03 -0.49 0.13 1.33 -0.68 0.00 0.00 175.30 175.62 1ffy n VAL 458 N -0.39 0.55 -2.66 3.52 0.24 -1.26 -4.18 118.33 114.14 1ffy n VAL 458 Ca 0.04 -0.45 -0.43 0.00 -2.04 0.00 0.00 64.34 61.46 1ffy n VAL 458 Cb 0.65 -0.37 -0.01 0.00 -1.47 0.00 0.00 33.84 32.64 1ffy n VAL 458 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1ffy s TRP 459 N -2.52 2.83 -1.43 6.34 -0.00 -1.26 -4.84 118.94 118.06 1ffy s TRP 459 Ca -0.06 -1.42 0.00 0.00 -0.00 0.00 0.00 56.10 54.62 1ffy s TRP 459 Cb 0.05 -4.63 0.00 0.00 -0.00 0.00 0.00 33.47 28.89 1ffy s TRP 459 CO 0.52 -1.77 0.00 0.41 -0.00 0.00 0.00 176.95 176.12 1ffy n GLY 460 N 5.72 -1.38 3.67 5.86 0.00 -1.26 -2.05 105.19 115.75 1ffy n GLY 460 Ca 0.40 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 1ffy n GLY 460 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ffy s VAL 461 N -2.72 5.01 0.50 1.61 1.01 -1.26 -4.87 120.40 119.68 1ffy s VAL 461 Ca 0.00 1.30 -0.22 0.00 0.00 0.00 0.00 61.98 63.06 1ffy s VAL 461 Cb 0.00 -3.99 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 1ffy s VAL 461 CO 0.00 0.13 1.20 -2.84 0.00 0.00 0.00 175.10 173.59 1ffy s PRO 462 N 1.69 3.52 -0.24 2.72 0.02 -1.26 0.36 135.00 141.81 1ffy s PRO 462 Ca 0.32 1.84 -0.29 0.00 0.02 0.00 0.00 61.00 62.89 1ffy s PRO 462 Cb -0.16 -2.28 0.00 0.00 0.02 0.00 0.00 34.50 32.08 1ffy s PRO 462 CO 0.12 -0.77 1.17 -0.51 -0.33 0.00 0.00 177.00 176.68 1ffy s LEU 463 N -3.31 4.06 -0.59 -5.54 1.02 -0.83 -4.79 118.68 108.69 1ffy s LEU 463 Ca 0.67 1.39 -0.12 0.00 0.02 0.00 0.00 54.13 56.10 1ffy s LEU 463 Cb -0.30 -3.54 -0.10 0.00 0.02 0.00 0.00 46.19 42.26 1ffy s LEU 463 CO 0.36 -0.82 1.78 -0.81 0.02 0.00 0.00 176.35 176.88 1ffy n PRO 464 N 6.70 1.28 -5.26 1.29 -0.04 -1.26 -4.69 135.00 133.02 1ffy n PRO 464 Ca 0.13 -1.31 -0.31 0.00 -0.04 0.00 0.00 63.50 61.97 1ffy n PRO 464 Cb 0.46 -2.49 -0.16 0.00 -0.04 0.00 0.00 33.50 31.27 1ffy n PRO 464 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ffy s VAL 465 N 4.54 2.00 0.14 0.52 1.01 -1.26 -4.68 120.40 122.67 1ffy s VAL 465 Ca 0.39 -1.07 0.11 0.00 0.00 0.00 0.00 61.98 61.41 1ffy s VAL 465 Cb 0.10 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1ffy s VAL 465 CO 0.05 0.56 -0.26 -0.36 0.00 0.00 0.00 175.10 175.10 1ffy s PHE 466 N -0.52 2.27 -0.05 5.22 0.40 -0.86 -0.92 117.98 123.52 1ffy s PHE 466 Ca 0.08 -0.38 0.04 0.00 -0.60 0.00 0.00 56.93 56.07 1ffy s PHE 466 Cb -0.10 -1.20 -0.02 0.00 0.51 0.00 0.00 43.02 42.20 1ffy s PHE 466 CO -0.00 0.37 -0.18 0.71 0.70 0.00 0.00 175.22 176.82 1ffy s TYR 467 N -1.24 2.60 -0.30 0.36 1.51 0.37 -0.06 117.35 120.60 1ffy s TYR 467 Ca 0.15 -0.34 -0.06 0.00 -1.01 0.00 0.00 57.07 55.81 1ffy s TYR 467 Cb -0.09 -1.62 0.02 0.00 -0.11 0.00 0.00 41.96 40.15 1ffy s TYR 467 CO 0.07 0.05 0.07 0.00 -1.11 0.00 0.00 175.55 174.63 1ffy s ALA 468 N -0.52 3.02 0.13 3.71 0.00 -0.99 -0.46 121.76 126.66 1ffy s ALA 468 Ca 0.07 -1.52 -0.33 0.00 0.00 0.00 0.00 51.96 50.18 1ffy s ALA 468 Cb -0.11 -2.13 -0.12 0.00 0.00 0.00 0.00 23.12 20.75 1ffy s ALA 468 CO 0.01 -1.01 1.73 -1.91 0.00 0.00 0.00 175.76 174.57 1ffy n GLU 469 N 4.83 2.50 0.00 0.00 2.13 -1.26 -2.22 120.64 126.62 1ffy n GLU 469 Ca -0.14 0.91 0.00 0.00 0.66 0.00 0.00 57.16 58.59 1ffy n GLU 469 Cb 0.47 -2.74 0.00 0.00 0.27 0.00 0.00 31.44 29.44 1ffy n GLU 469 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1ffy n ASN 470 N 4.58 0.00 0.00 4.31 0.23 -1.26 -0.84 115.26 122.28 1ffy n ASN 470 Ca 0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.23 1ffy n ASN 470 Cb 0.33 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.03 1ffy n ASN 470 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ffy n GLY 471 N 0.00 -1.63 0.00 4.83 0.00 -0.94 -5.06 105.19 102.39 1ffy n GLY 471 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.77 1ffy n GLY 471 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ffy n GLU 472 N 0.00 0.00 0.00 1.61 0.28 -1.09 -4.72 120.64 116.72 1ffy n GLU 472 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1ffy n GLU 472 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1ffy n GLU 472 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1ffy n ILE 473 N 0.00 0.00 -3.86 3.84 5.41 -1.26 -2.36 119.36 121.13 1ffy n ILE 473 Ca 0.00 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.40 1ffy n ILE 473 Cb 0.00 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 38.80 1ffy n ILE 473 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1ffy s ILE 474 N 0.00 3.06 -0.45 1.39 1.01 0.92 -4.94 121.20 122.18 1ffy s ILE 474 Ca 0.00 -1.72 0.06 0.00 0.00 0.00 0.00 60.65 58.99 1ffy s ILE 474 Cb 0.00 -2.93 0.22 0.00 0.01 0.00 0.00 42.46 39.76 1ffy s ILE 474 CO 0.00 -0.38 0.66 0.80 0.00 0.00 0.00 174.94 176.03 1ffy n MET 475 N 4.58 0.63 -3.75 2.79 1.56 -1.26 -2.03 117.12 119.64 1ffy n MET 475 Ca -0.07 -2.47 -0.22 0.00 -0.27 0.00 0.00 57.70 54.67 1ffy n MET 475 Cb 0.42 -1.42 -0.04 0.00 2.15 0.00 0.00 33.22 34.34 1ffy n MET 475 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 1ffy s THR 476 N 0.05 2.46 0.15 1.12 -4.23 -1.26 -4.90 115.64 109.03 1ffy s THR 476 Ca 0.33 -1.45 -0.17 0.00 -1.18 0.00 0.00 61.69 59.22 1ffy s THR 476 Cb 0.14 -2.92 0.01 0.00 1.34 0.00 0.00 72.50 71.08 1ffy s THR 476 CO -0.16 0.00 1.76 0.11 -0.54 0.00 0.00 174.62 175.78 1ffy h LYS 477 N 1.11 0.28 -0.25 3.99 1.57 -1.99 -0.55 116.57 120.74 1ffy h LYS 477 Ca -0.41 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.39 1ffy h LYS 477 Cb 1.27 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.47 1ffy h LYS 477 CO 0.61 0.19 -0.01 1.49 -0.57 0.00 0.00 179.45 181.15 1ffy h GLU 478 N 0.29 0.06 -0.17 3.15 4.81 -1.98 0.18 114.58 120.92 1ffy h GLU 478 Ca 0.15 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1ffy h GLU 478 Cb 0.11 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1ffy h GLU 478 CO -0.14 0.04 -0.04 1.79 -0.73 0.00 0.00 179.01 179.93 1ffy h THR 479 N 0.06 1.28 -0.35 0.32 1.35 -1.89 -2.17 112.91 111.51 1ffy h THR 479 Ca 0.12 -0.99 -0.03 0.00 -0.55 0.00 0.00 66.41 64.96 1ffy h THR 479 Cb 0.16 1.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 1ffy h THR 479 CO -0.21 0.29 0.11 0.58 -0.25 0.00 0.00 175.52 176.04 1ffy h VAL 480 N 0.03 1.21 0.00 6.82 2.07 -1.01 -1.86 116.25 123.51 1ffy h VAL 480 Ca 0.04 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 1ffy h VAL 480 Cb 0.47 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1ffy h VAL 480 CO 0.02 0.24 -0.15 0.78 0.02 0.00 0.00 177.57 178.47 1ffy h ASN 481 N 0.42 0.00 0.55 0.57 2.35 -0.99 0.23 115.58 118.71 1ffy h ASN 481 Ca 0.11 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.62 1ffy h ASN 481 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1ffy h ASN 481 CO -0.00 0.15 -1.08 -0.74 -1.65 0.00 0.00 177.43 174.10 1ffy h HIS 482 N 0.00 0.48 -0.36 1.19 2.76 -1.16 -0.89 115.15 117.16 1ffy h HIS 482 Ca -0.00 -0.31 -0.11 0.00 -2.20 0.00 0.00 60.37 57.75 1ffy h HIS 482 Cb 0.53 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 1ffy h HIS 482 CO 0.00 1.18 -0.22 0.28 -1.30 0.00 0.00 177.93 177.87 1ffy h VAL 483 N 0.12 1.27 -0.56 5.26 2.07 -0.76 -1.44 116.25 122.21 1ffy h VAL 483 Ca -0.10 -1.31 -0.03 0.00 0.82 0.00 0.00 66.70 66.09 1ffy h VAL 483 Cb 1.77 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 32.75 1ffy h VAL 483 CO 0.18 0.43 0.25 0.00 0.02 0.00 0.00 177.57 178.45 1ffy h ALA 484 N 1.13 0.72 -0.11 1.67 0.00 -0.82 -0.35 119.26 121.50 1ffy h ALA 484 Ca 0.09 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1ffy h ALA 484 Cb 0.71 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1ffy h ALA 484 CO 0.05 0.31 -0.11 -0.44 0.00 0.00 0.00 179.25 179.06 1ffy h ASP 485 N 0.76 -0.33 -0.37 0.00 5.19 -0.72 0.10 116.42 121.05 1ffy h ASP 485 Ca 0.19 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.66 1ffy h ASP 485 Cb 0.16 0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.81 1ffy h ASP 485 CO -0.02 -0.14 0.19 -0.07 -3.12 0.00 0.00 179.24 176.08 1ffy h LEU 486 N -0.13 0.48 -1.10 1.55 3.38 -1.01 -2.66 115.31 115.82 1ffy h LEU 486 Ca 0.08 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1ffy h LEU 486 Cb 0.24 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 1ffy h LEU 486 CO -0.19 0.45 0.61 -0.26 0.09 0.00 0.00 178.44 179.13 1ffy h PHE 487 N 0.47 1.13 -0.20 1.13 -1.00 -0.69 0.63 116.94 118.41 1ffy h PHE 487 Ca 0.13 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.91 1ffy h PHE 487 Cb 0.09 -0.38 -0.01 0.00 3.61 0.00 0.00 35.95 39.26 1ffy h PHE 487 CO -0.02 0.68 0.02 0.00 -1.61 0.00 0.00 178.31 177.38 1ffy h ALA 488 N 1.45 1.67 0.07 2.45 0.00 -0.47 0.83 119.26 125.26 1ffy h ALA 488 Ca 0.35 -0.11 -0.37 0.00 0.00 0.00 0.00 54.91 54.78 1ffy h ALA 488 Cb -0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1ffy h ALA 488 CO -0.10 0.25 -2.17 -1.91 0.00 0.00 0.00 179.25 175.33 1ffy n GLU 489 N -4.39 0.70 -0.00 0.00 0.00 -0.65 -4.30 120.64 112.00 1ffy n GLU 489 Ca -0.00 0.24 0.06 0.00 0.00 0.00 0.00 57.16 57.46 1ffy n GLU 489 Cb 0.16 -1.63 -0.09 0.00 0.00 0.00 0.00 31.44 29.88 1ffy n GLU 489 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1ffy n HIS 490 N -3.47 0.00 0.00 4.31 8.25 0.21 -5.06 115.22 119.46 1ffy n HIS 490 Ca -0.38 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.08 1ffy n HIS 490 Cb 1.00 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.95 1ffy n HIS 490 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ffy n GLY 491 N 1.54 -0.60 0.26 -1.41 0.00 0.29 -4.52 105.19 100.75 1ffy n GLY 491 Ca -0.00 -1.74 0.13 0.00 0.00 0.00 0.00 46.02 44.41 1ffy n GLY 491 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ffy h SER 492 N 0.00 0.00 -0.53 1.61 4.64 -1.90 -3.05 113.55 114.32 1ffy h SER 492 Ca 0.00 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.47 1ffy h SER 492 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1ffy h SER 492 CO 0.00 0.12 0.42 0.78 -0.87 0.00 0.00 176.83 177.28 1ffy h ASN 493 N 0.00 0.00 -0.98 4.97 -0.26 -1.95 -0.98 115.58 116.38 1ffy h ASN 493 Ca -0.00 0.00 0.17 0.00 -0.56 0.00 0.00 56.30 55.90 1ffy h ASN 493 Cb 0.44 0.00 -0.09 0.00 -1.06 0.00 0.00 38.32 37.61 1ffy h ASN 493 CO 0.02 0.00 0.61 -0.29 -1.06 0.00 0.00 177.43 176.71 1ffy h ILE 494 N 0.00 0.78 -0.99 2.81 6.09 -1.76 -1.21 117.51 123.23 1ffy h ILE 494 Ca 0.25 -0.27 0.02 0.00 -1.37 0.00 0.00 64.86 63.50 1ffy h ILE 494 Cb 1.09 -0.07 -0.05 0.00 0.47 0.00 0.00 36.82 38.26 1ffy h ILE 494 CO -0.00 0.14 0.65 -0.25 -3.07 0.00 0.00 178.15 175.62 1ffy h TRP 495 N 0.78 1.22 0.00 2.19 2.91 -1.42 -0.43 115.95 121.20 1ffy h TRP 495 Ca 0.53 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.57 1ffy h TRP 495 Cb 0.79 -0.41 0.00 0.00 -0.51 0.00 0.00 29.16 29.03 1ffy h TRP 495 CO -0.00 0.74 -0.27 1.19 -1.03 0.00 0.00 178.44 179.06 1ffy n PHE 496 N -4.43 0.20 -0.05 2.65 3.01 -0.51 -3.78 117.46 114.55 1ffy n PHE 496 Ca 0.12 0.06 -0.12 0.00 1.01 0.00 0.00 57.45 58.53 1ffy n PHE 496 Cb 0.06 -0.49 -0.14 0.00 -0.01 0.00 0.00 39.48 38.89 1ffy n PHE 496 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1ffy n GLU 497 N -1.69 0.67 -3.87 -1.08 1.02 -0.82 -4.79 120.64 110.09 1ffy n GLU 497 Ca 0.06 0.20 -0.21 0.00 -0.02 0.00 0.00 57.16 57.19 1ffy n GLU 497 Cb 0.36 -1.69 -0.02 0.00 -0.02 0.00 0.00 31.44 30.08 1ffy n GLU 497 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1ffy s ARG 498 N -2.56 3.36 0.63 3.49 0.52 -0.23 -5.10 118.95 119.06 1ffy s ARG 498 Ca -0.11 -0.82 -0.08 0.00 -0.52 0.00 0.00 55.73 54.19 1ffy s ARG 498 Cb 0.07 -2.87 0.00 0.00 0.52 0.00 0.00 34.95 32.68 1ffy s ARG 498 CO 0.80 0.35 0.98 -1.21 0.02 0.00 0.00 175.30 176.24 1ffy s GLU 499 N -4.02 3.02 0.16 3.54 2.02 -1.26 -4.91 118.70 117.25 1ffy s GLU 499 Ca 0.36 0.27 -0.17 0.00 0.02 0.00 0.00 54.97 55.45 1ffy s GLU 499 Cb -0.09 -2.16 0.08 0.00 0.10 0.00 0.00 34.13 32.05 1ffy s GLU 499 CO 0.29 -0.78 1.69 0.00 0.02 0.00 0.00 175.26 176.49 1ffy h ALA 500 N -0.34 0.30 0.00 5.21 0.00 -1.93 -1.76 119.26 120.74 1ffy h ALA 500 Ca -0.45 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1ffy h ALA 500 Cb 1.24 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1ffy h ALA 500 CO 0.62 -0.42 0.00 1.57 0.00 0.00 0.00 179.25 181.02 1ffy h LYS 501 N 0.07 0.00 0.00 0.00 5.09 -1.93 0.20 116.57 119.99 1ffy h LYS 501 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.91 1ffy h LYS 501 Cb 0.25 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.58 1ffy h LYS 501 CO -0.32 0.00 -0.42 -0.44 -2.09 0.00 0.00 179.45 176.18 1ffy h ASP 502 N 0.00 0.00 0.20 7.07 3.32 -1.70 -3.23 116.42 122.08 1ffy h ASP 502 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1ffy h ASP 502 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1ffy h ASP 502 CO 0.00 0.01 -0.48 0.18 -1.72 0.00 0.00 179.24 177.23 1ffy n LEU 503 N -2.83 1.15 -4.95 1.55 4.77 0.01 -4.90 117.00 111.79 1ffy n LEU 503 Ca 0.03 -0.36 -0.24 0.00 -0.03 0.00 0.00 56.01 55.41 1ffy n LEU 503 Cb 0.53 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.50 1ffy n LEU 503 CO 0.36 0.23 0.08 -0.76 -1.33 0.00 0.00 177.39 175.98 1ffy s LEU 504 N -2.68 4.14 0.00 2.23 1.43 -0.89 -4.54 118.68 118.37 1ffy s LEU 504 Ca 0.18 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 1ffy s LEU 504 Cb 0.18 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 43.24 1ffy s LEU 504 CO 0.63 -0.18 0.00 -2.65 0.23 0.00 0.00 176.35 174.37 1ffy n PRO 505 N -1.46 1.67 -1.55 1.29 -0.02 -1.26 -4.78 135.00 128.89 1ffy n PRO 505 Ca -0.06 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.05 1ffy n PRO 505 Cb 0.56 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 34.00 1ffy n PRO 505 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1ffy n GLU 506 N 0.00 1.05 -2.39 -0.52 0.28 -1.26 -3.49 120.64 114.31 1ffy n GLU 506 Ca 0.00 0.03 -0.06 0.00 -0.16 0.00 0.00 57.16 56.98 1ffy n GLU 506 Cb 0.00 -3.33 -0.01 0.00 1.43 0.00 0.00 31.44 29.53 1ffy n GLU 506 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ffy n GLY 507 N 6.03 -0.38 1.24 -1.84 0.00 -1.26 -4.73 105.19 104.25 1ffy n GLY 507 Ca 0.38 0.01 -0.16 0.00 0.00 0.00 0.00 46.02 46.25 1ffy n GLY 507 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ffy n PHE 508 N -2.20 -0.86 -3.93 1.61 7.35 -1.23 -5.03 117.46 113.17 1ffy n PHE 508 Ca 0.02 0.22 -0.09 0.00 -0.76 0.00 0.00 57.45 56.84 1ffy n PHE 508 Cb 0.39 -0.67 -0.09 0.00 0.35 0.00 0.00 39.48 39.46 1ffy n PHE 508 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1ffy s THR 509 N -0.66 0.13 -0.02 -2.13 -4.23 -1.26 -5.01 115.64 102.46 1ffy s THR 509 Ca 0.22 -1.10 -0.21 0.00 -1.18 0.00 0.00 61.69 59.43 1ffy s THR 509 Cb -0.23 -0.88 0.04 0.00 1.34 0.00 0.00 72.50 72.77 1ffy s THR 509 CO 0.24 -0.61 0.44 -2.28 -0.54 0.00 0.00 174.62 171.88 1ffy s HIS 510 N -2.58 -0.35 0.40 3.99 2.46 -1.26 -5.03 115.29 112.92 1ffy s HIS 510 Ca -0.05 0.55 0.18 0.00 0.47 0.00 0.00 55.06 56.21 1ffy s HIS 510 Cb -0.01 0.22 1.10 0.00 -0.13 0.00 0.00 32.58 33.76 1ffy s HIS 510 CO -0.04 -0.48 1.78 -1.35 -2.47 0.00 0.00 174.74 172.17 1ffy h PRO 511 N 3.48 0.38 -7.30 2.88 0.11 -2.02 -3.41 132.00 126.12 1ffy h PRO 511 Ca -0.29 -0.02 -0.48 0.00 0.11 0.00 0.00 66.00 65.32 1ffy h PRO 511 Cb 1.17 -0.09 0.16 0.00 0.11 0.00 0.00 31.00 32.35 1ffy h PRO 511 CO 0.40 0.25 0.21 0.20 -0.21 0.00 0.00 178.00 178.86 1ffy s GLY 512 N -3.90 1.62 -0.13 -0.55 0.00 -1.26 -4.34 107.32 98.75 1ffy s GLY 512 Ca -0.09 0.02 -0.11 0.00 0.00 0.00 0.00 44.72 44.54 1ffy s GLY 512 CO 0.80 0.53 0.18 -1.26 0.00 0.00 0.00 173.10 173.35 1ffy n SER 513 N -4.07 -6.32 0.08 1.64 2.88 -0.02 -4.74 113.62 103.07 1ffy n SER 513 Ca 0.07 0.27 0.06 0.00 -1.33 0.00 0.00 58.87 57.94 1ffy n SER 513 Cb 0.55 -1.70 0.30 0.00 -0.75 0.00 0.00 64.21 62.60 1ffy n SER 513 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1ffy n PRO 514 N 0.87 0.07 -1.08 -1.46 -0.02 -1.26 -1.90 135.00 130.22 1ffy n PRO 514 Ca -0.02 0.53 -0.13 0.00 -2.02 0.00 0.00 63.50 61.85 1ffy n PRO 514 Cb 0.54 -1.71 0.25 0.00 -0.02 0.00 0.00 33.50 32.55 1ffy n PRO 514 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ffy n ASN 515 N -1.86 4.19 -1.73 2.55 3.02 -1.26 -4.94 115.26 115.22 1ffy n ASN 515 Ca -0.00 -3.43 -0.11 0.00 -0.03 0.00 0.00 54.58 51.01 1ffy n ASN 515 Cb 0.05 -0.77 -0.03 0.00 -0.61 0.00 0.00 39.78 38.41 1ffy n ASN 515 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ffy n GLY 516 N -0.66 0.49 3.93 7.41 0.00 -0.80 -4.95 105.19 110.61 1ffy n GLY 516 Ca 0.48 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.21 1ffy n GLY 516 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ffy s THR 517 N -2.16 5.32 0.06 2.61 2.01 -1.26 -5.02 115.64 117.21 1ffy s THR 517 Ca 0.00 -0.44 -0.06 0.00 0.31 0.00 0.00 61.69 61.50 1ffy s THR 517 Cb 0.00 -3.68 -0.01 0.00 0.01 0.00 0.00 72.50 68.82 1ffy s THR 517 CO 0.00 0.02 0.12 -0.36 -0.69 0.00 0.00 174.62 173.71 1ffy s PHE 518 N -1.65 0.21 0.26 4.92 0.40 -1.26 -4.61 117.98 116.25 1ffy s PHE 518 Ca 0.36 -0.58 0.11 0.00 -0.60 0.00 0.00 56.93 56.22 1ffy s PHE 518 Cb -0.12 -0.14 -0.05 0.00 0.51 0.00 0.00 43.02 43.23 1ffy s PHE 518 CO 0.28 -0.43 -0.16 0.99 0.70 0.00 0.00 175.22 176.59 1ffy s THR 519 N -3.20 2.69 0.08 0.64 2.01 0.40 -4.66 115.64 113.60 1ffy s THR 519 Ca -0.00 -2.20 0.06 0.00 0.31 0.00 0.00 61.69 59.86 1ffy s THR 519 Cb 0.02 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.11 1ffy s THR 519 CO -0.07 -0.33 -0.17 -1.59 -0.69 0.00 0.00 174.62 171.77 1ffy s LYS 520 N -3.36 0.94 0.70 4.92 -2.85 -1.26 0.14 119.74 118.98 1ffy s LYS 520 Ca 0.28 -1.03 -0.14 0.00 -1.00 0.00 0.00 55.97 54.09 1ffy s LYS 520 Cb -0.06 -1.05 0.02 0.00 -2.06 0.00 0.00 37.83 34.68 1ffy s LYS 520 CO 0.15 0.24 1.12 -2.00 0.10 0.00 0.00 175.35 174.96 1ffy s GLU 521 N -1.78 2.55 -0.00 1.78 2.56 -0.09 -4.88 118.70 118.83 1ffy s GLU 521 Ca 0.01 1.38 0.02 0.00 0.00 0.00 0.00 54.97 56.38 1ffy s GLU 521 Cb -0.10 -1.92 -0.02 0.00 2.00 0.00 0.00 34.13 34.09 1ffy s GLU 521 CO 0.03 -1.45 0.05 0.25 -0.56 0.00 0.00 175.26 173.58 1ffy n THR 522 N -2.77 0.00 -1.31 -1.70 -2.24 -1.26 -4.90 114.28 100.11 1ffy n THR 522 Ca 0.10 -0.21 -0.33 0.00 -2.27 0.00 0.00 64.05 61.34 1ffy n THR 522 Cb 0.52 0.68 0.10 0.00 -2.10 0.00 0.00 70.33 69.53 1ffy n THR 522 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ffy s ASP 523 N -1.78 4.03 0.43 3.42 1.01 -1.26 -4.78 116.67 117.74 1ffy s ASP 523 Ca -0.00 2.28 0.07 0.00 0.71 0.00 0.00 52.55 55.60 1ffy s ASP 523 Cb 0.01 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 1ffy s ASP 523 CO 0.07 -2.37 0.13 0.27 0.21 0.00 0.00 175.17 173.48 1ffy s ILE 524 N -2.17 2.08 0.23 0.77 -4.36 -0.50 -1.97 121.20 115.28 1ffy s ILE 524 Ca 0.72 -1.79 -0.09 0.00 -0.26 0.00 0.00 60.65 59.22 1ffy s ILE 524 Cb -0.27 -2.87 -0.07 0.00 1.25 0.00 0.00 42.46 40.50 1ffy s ILE 524 CO 0.48 0.00 0.55 -0.04 0.24 0.00 0.00 174.94 176.17 1ffy s MET 525 N -3.87 3.79 0.32 0.37 -1.94 0.16 -1.70 119.30 116.42 1ffy s MET 525 Ca 0.36 0.26 -0.29 0.00 -1.71 0.00 0.00 55.69 54.30 1ffy s MET 525 Cb 0.05 -2.65 -0.11 0.00 2.01 0.00 0.00 34.83 34.13 1ffy s MET 525 CO 0.19 0.31 1.56 0.34 -0.01 0.00 0.00 175.02 177.41 1ffy s ASP 526 N -2.42 6.37 0.53 3.03 2.15 -0.70 -4.58 116.67 121.05 1ffy s ASP 526 Ca 0.47 2.97 0.23 0.00 0.43 0.00 0.00 52.55 56.66 1ffy s ASP 526 Cb -0.11 -2.64 1.38 0.00 -0.30 0.00 0.00 42.92 41.24 1ffy s ASP 526 CO 0.22 -0.90 2.04 -0.37 -0.17 0.00 0.00 175.17 175.99 1ffy h VAL 527 N 3.27 0.79 -0.27 1.11 -1.51 -1.95 0.19 116.25 117.88 1ffy h VAL 527 Ca -0.48 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1ffy h VAL 527 Cb 1.23 0.80 -0.01 0.00 -2.13 0.00 0.00 31.29 31.17 1ffy h VAL 527 CO 0.75 0.00 0.17 -0.50 -1.23 0.00 0.00 177.57 176.76 1ffy h TRP 528 N 0.00 0.35 -0.35 5.19 -0.00 -1.99 -0.26 115.95 118.89 1ffy h TRP 528 Ca 0.19 0.01 -0.07 0.00 -0.00 0.00 0.00 58.89 59.02 1ffy h TRP 528 Cb 0.76 -0.12 -0.01 0.00 -0.00 0.00 0.00 29.16 29.79 1ffy h TRP 528 CO 0.00 0.23 -0.04 0.35 -0.00 0.00 0.00 178.44 178.98 1ffy h PHE 529 N 0.37 0.71 0.08 0.49 3.57 -0.98 0.24 116.94 121.43 1ffy h PHE 529 Ca 0.10 -0.14 0.02 0.00 3.53 0.00 0.00 57.97 61.48 1ffy h PHE 529 Cb -0.02 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.49 1ffy h PHE 529 CO 0.00 0.78 -0.49 -0.44 -2.23 0.00 0.00 178.31 175.92 1ffy h ASP 530 N 0.44 -1.49 -0.26 0.41 5.19 -0.94 -1.90 116.42 117.87 1ffy h ASP 530 Ca 0.09 0.16 -0.14 0.00 -0.62 0.00 0.00 57.03 56.53 1ffy h ASP 530 Cb 0.52 0.56 -0.01 0.00 0.18 0.00 0.00 39.33 40.58 1ffy h ASP 530 CO 0.03 -0.53 -0.35 0.77 -3.12 0.00 0.00 179.24 176.04 1ffy h SER 531 N -0.69 0.83 0.00 6.45 4.64 -1.34 -2.78 113.55 120.66 1ffy h SER 531 Ca 0.01 -0.35 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1ffy h SER 531 Cb 0.73 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1ffy h SER 531 CO -0.30 1.09 0.07 1.23 -0.87 0.00 0.00 176.83 178.05 1ffy h GLY 532 N 0.92 0.00 -2.32 -0.77 0.00 -0.12 0.71 103.07 101.50 1ffy h GLY 532 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1ffy h GLY 532 CO 0.08 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.48 1ffy n SER 533 N -2.30 3.99 0.28 0.19 3.41 -0.75 -4.10 113.62 114.34 1ffy n SER 533 Ca -0.01 -2.30 0.13 0.00 -0.26 0.00 0.00 58.87 56.43 1ffy n SER 533 Cb 0.10 -0.46 0.83 0.00 -0.26 0.00 0.00 64.21 64.42 1ffy n SER 533 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1ffy h SER 534 N 3.29 0.00 1.19 4.04 4.64 -0.95 -0.07 113.55 125.69 1ffy h SER 534 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1ffy h SER 534 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1ffy h SER 534 CO 0.12 0.01 -0.04 1.12 -0.87 0.00 0.00 176.83 177.16 1ffy h HIS 535 N 0.00 0.00 0.00 4.77 2.07 -1.81 -1.07 115.15 119.11 1ffy h HIS 535 Ca -0.00 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.44 1ffy h HIS 535 Cb 0.02 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.99 1ffy h HIS 535 CO 0.00 0.04 -0.96 -2.13 -3.07 0.00 0.00 177.93 171.81 1ffy n ARG 536 N -3.14 0.50 0.22 5.12 3.00 -0.18 -2.30 116.66 119.89 1ffy n ARG 536 Ca 0.01 0.43 0.15 0.00 -0.00 0.00 0.00 57.85 58.44 1ffy n ARG 536 Cb 0.37 -1.62 0.77 0.00 0.00 0.00 0.00 32.46 31.99 1ffy n ARG 536 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1ffy h GLY 537 N -1.00 0.00 0.00 5.14 0.00 -1.25 -3.05 103.07 102.91 1ffy h GLY 537 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1ffy h GLY 537 CO -0.08 0.00 -0.25 3.33 0.00 0.00 0.00 176.54 179.55 1ffy n VAL 538 N -2.54 0.34 -0.06 4.60 0.24 -0.41 -4.53 118.33 115.96 1ffy n VAL 538 Ca -0.01 0.11 -0.08 0.00 -2.04 0.00 0.00 64.34 62.32 1ffy n VAL 538 Cb 0.08 -1.04 -0.01 0.00 -1.47 0.00 0.00 33.84 31.39 1ffy n VAL 538 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1ffy h LEU 539 N 0.00 -0.12 -0.18 1.34 3.38 -1.51 -0.78 115.31 117.44 1ffy h LEU 539 Ca 0.00 0.06 -0.21 0.00 0.09 0.00 0.00 57.88 57.82 1ffy h LEU 539 Cb 0.25 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1ffy h LEU 539 CO 0.00 -0.03 -0.95 -0.33 0.09 0.00 0.00 178.44 177.23 1ffy h GLU 540 N 0.07 0.12 0.01 1.13 5.08 -1.46 -3.25 114.58 116.28 1ffy h GLU 540 Ca 0.12 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1ffy h GLU 540 Cb 0.16 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ffy h GLU 540 CO -0.21 0.98 -0.20 1.79 -1.00 0.00 0.00 179.01 180.37 1ffy h THR 541 N 0.06 1.60 -3.47 1.13 1.35 -1.40 -3.47 112.91 108.72 1ffy h THR 541 Ca -0.04 -2.03 -0.52 0.00 -0.55 0.00 0.00 66.41 63.26 1ffy h THR 541 Cb 1.62 2.93 0.02 0.00 -1.73 0.00 0.00 68.15 70.99 1ffy h THR 541 CO 0.14 0.55 0.57 -0.13 -0.25 0.00 0.00 175.52 176.40 1ffy s ARG 542 N -2.92 4.48 0.19 4.72 0.52 -0.32 -4.97 118.95 120.66 1ffy s ARG 542 Ca -0.17 1.90 -0.12 0.00 -0.52 0.00 0.00 55.73 56.82 1ffy s ARG 542 Cb -0.00 -3.23 0.22 0.00 0.52 0.00 0.00 34.95 32.45 1ffy s ARG 542 CO 0.73 -0.11 1.69 -1.35 0.02 0.00 0.00 175.30 176.28 1ffy h PRO 543 N 5.27 0.16 0.00 3.54 0.11 -1.89 -2.45 132.00 136.74 1ffy h PRO 543 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ffy h PRO 543 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ffy h PRO 543 CO 0.75 0.11 0.00 0.39 -0.21 0.00 0.00 178.00 179.04 1ffy n GLU 544 N -5.19 0.10 -3.71 1.05 4.71 -1.26 -4.84 120.64 111.50 1ffy n GLU 544 Ca 0.06 0.35 -0.23 0.00 -0.01 0.00 0.00 57.16 57.34 1ffy n GLU 544 Cb 0.28 -1.69 -0.03 0.00 -1.01 0.00 0.00 31.44 28.99 1ffy n GLU 544 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1ffy s LEU 545 N -3.75 3.18 -0.04 -4.62 1.43 -0.92 -4.79 118.68 109.17 1ffy s LEU 545 Ca 0.05 -0.92 -0.01 0.00 -1.03 0.00 0.00 54.13 52.22 1ffy s LEU 545 Cb 0.09 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.60 1ffy s LEU 545 CO 0.32 -0.76 0.07 -0.94 0.23 0.00 0.00 176.35 175.26 1ffy s SER 546 N -4.15 0.33 0.00 2.29 1.04 -1.23 -4.88 113.70 107.11 1ffy s SER 546 Ca 0.44 0.12 -0.01 0.00 0.48 0.00 0.00 55.95 56.99 1ffy s SER 546 Cb -0.02 -0.01 -0.00 0.00 0.10 0.00 0.00 66.02 66.09 1ffy s SER 546 CO 0.26 -0.17 0.59 0.33 0.98 0.00 0.00 173.24 175.23 1ffy n PHE 547 N 4.54 -0.01 -1.91 5.02 7.35 -1.24 -3.90 117.46 127.32 1ffy n PHE 547 Ca -0.20 0.03 -0.43 0.00 -0.76 0.00 0.00 57.45 56.09 1ffy n PHE 547 Cb 0.50 -0.30 -0.03 0.00 0.35 0.00 0.00 39.48 40.00 1ffy n PHE 547 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 1ffy s PRO 548 N -3.08 3.48 0.18 -7.13 0.02 -1.26 -4.84 135.00 122.36 1ffy s PRO 548 Ca -0.00 1.73 -0.27 0.00 0.02 0.00 0.00 61.00 62.47 1ffy s PRO 548 Cb 0.00 -4.19 -0.08 0.00 0.02 0.00 0.00 34.50 30.25 1ffy s PRO 548 CO 0.01 -1.69 0.85 0.00 -0.33 0.00 0.00 177.00 175.85 1ffy s ALA 549 N 6.55 3.39 0.51 -1.55 0.00 -0.44 -4.91 121.76 125.32 1ffy s ALA 549 Ca 0.83 0.47 0.17 0.00 0.00 0.00 0.00 51.96 53.43 1ffy s ALA 549 Cb -0.27 -3.08 1.26 0.00 0.00 0.00 0.00 23.12 21.03 1ffy s ALA 549 CO 0.33 0.22 2.11 -0.44 0.00 0.00 0.00 175.76 177.98 1ffy h ASP 550 N 4.47 0.04 -4.30 0.00 5.19 -1.40 -0.53 116.42 119.89 1ffy h ASP 550 Ca -0.46 -0.00 0.14 0.00 -0.62 0.00 0.00 57.03 56.09 1ffy h ASP 550 Cb 1.20 -0.01 -0.19 0.00 0.18 0.00 0.00 39.33 40.51 1ffy h ASP 550 CO 0.68 0.03 0.61 0.00 -3.12 0.00 0.00 179.24 177.43 1ffy s MET 551 N -5.10 0.59 -0.01 3.56 0.23 -1.11 -1.76 119.30 115.70 1ffy s MET 551 Ca -0.05 -0.10 0.07 0.00 -1.03 0.00 0.00 55.69 54.58 1ffy s MET 551 Cb 0.18 0.27 -0.02 0.00 -1.53 0.00 0.00 34.83 33.72 1ffy s MET 551 CO 0.69 -0.23 -0.22 0.71 -2.03 0.00 0.00 175.02 173.93 1ffy s TYR 552 N -2.20 2.45 -0.14 3.16 1.51 -0.92 -2.30 117.35 118.91 1ffy s TYR 552 Ca 0.04 -0.34 -0.04 0.00 -1.01 0.00 0.00 57.07 55.72 1ffy s TYR 552 Cb -0.01 -1.50 0.06 0.00 -0.11 0.00 0.00 41.96 40.40 1ffy s TYR 552 CO -0.05 0.09 0.12 -1.17 -1.11 0.00 0.00 175.55 173.43 1ffy s LEU 553 N -0.88 0.15 0.37 -1.29 2.96 -1.25 -1.83 118.68 116.91 1ffy s LEU 553 Ca 0.11 -0.27 -0.06 0.00 -0.22 0.00 0.00 54.13 53.69 1ffy s LEU 553 Cb -0.10 -0.01 0.02 0.00 0.50 0.00 0.00 46.19 46.60 1ffy s LEU 553 CO 0.01 -0.31 0.59 -1.61 -1.32 0.00 0.00 176.35 173.71 1ffy s GLU 554 N 2.21 2.09 0.86 1.98 0.41 -1.11 -4.77 118.70 120.36 1ffy s GLU 554 Ca 0.04 -1.72 -0.11 0.00 -0.41 0.00 0.00 54.97 52.77 1ffy s GLU 554 Cb -0.15 0.51 0.10 0.00 -1.78 0.00 0.00 34.13 32.82 1ffy s GLU 554 CO -0.08 -0.91 1.09 0.20 -0.49 0.00 0.00 175.26 175.07 1ffy s GLY 555 N -3.21 1.63 0.60 -1.39 0.00 -1.26 -1.69 107.32 101.99 1ffy s GLY 555 Ca 0.26 -0.03 0.30 0.00 0.00 0.00 0.00 44.72 45.25 1ffy s GLY 555 CO 0.19 0.42 2.18 1.48 0.00 0.00 0.00 173.10 177.37 1ffy h SER 556 N -1.39 0.00 0.80 1.64 4.64 -1.57 -0.66 113.55 117.01 1ffy h SER 556 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1ffy h SER 556 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1ffy h SER 556 CO 0.55 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.61 1ffy n ASP 557 N -3.73 0.20 -0.02 4.97 5.75 -1.26 -2.87 116.55 119.59 1ffy n ASP 557 Ca -0.01 0.54 0.14 0.00 -0.01 0.00 0.00 54.79 55.45 1ffy n ASP 557 Cb 0.20 -0.58 0.69 0.00 -1.03 0.00 0.00 41.12 40.40 1ffy n ASP 557 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ffy n GLN 558 N -1.71 0.37 0.20 0.11 1.13 -0.25 -2.33 117.38 114.90 1ffy n GLN 558 Ca 0.05 -0.04 0.05 0.00 -1.94 0.00 0.00 57.00 55.12 1ffy n GLN 558 Cb 0.26 -1.50 0.42 0.00 0.11 0.00 0.00 30.24 29.54 1ffy n GLN 558 CO 0.00 0.00 0.00 1.88 -1.44 0.00 0.00 177.06 177.50 1ffy h TYR 559 N 0.09 0.00 0.00 1.08 -1.99 -1.72 -0.18 116.97 114.25 1ffy h TYR 559 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1ffy h TYR 559 Cb 0.34 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.07 1ffy h TYR 559 CO 0.00 0.32 -1.65 -2.13 -0.00 0.00 0.00 178.16 174.70 1ffy n ARG 560 N -3.99 0.57 0.00 4.88 3.00 -1.20 -4.01 116.66 115.92 1ffy n ARG 560 Ca -0.02 -0.11 0.00 0.00 -0.00 0.00 0.00 57.85 57.73 1ffy n ARG 560 Cb 0.38 -1.59 0.00 0.00 0.00 0.00 0.00 32.46 31.25 1ffy n ARG 560 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ffy n GLY 561 N 1.27 0.50 0.35 5.14 0.00 -0.56 -4.69 105.19 107.19 1ffy n GLY 561 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.09 1ffy n GLY 561 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1ffy h TRP 562 N 0.00 0.55 -0.52 1.61 7.01 -1.83 -1.20 115.95 121.56 1ffy h TRP 562 Ca 0.00 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.00 1ffy h TRP 562 Cb 0.00 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 26.85 1ffy h TRP 562 CO 0.00 0.28 0.28 0.74 -2.79 0.00 0.00 178.44 176.96 1ffy h PHE 563 N 0.54 0.72 0.33 2.65 0.05 -1.38 -1.74 116.94 118.11 1ffy h PHE 563 Ca 0.28 -0.02 -0.02 0.00 3.82 0.00 0.00 57.97 62.03 1ffy h PHE 563 Cb 0.39 -0.23 0.00 0.00 2.00 0.00 0.00 35.95 38.11 1ffy h PHE 563 CO -0.00 0.54 -0.16 -0.97 -0.18 0.00 0.00 178.31 177.54 1ffy h ASN 564 N 0.70 -0.37 0.34 2.17 -1.24 -1.37 -2.52 115.58 113.29 1ffy h ASN 564 Ca 0.18 -0.17 -0.03 0.00 0.71 0.00 0.00 56.30 56.99 1ffy h ASN 564 Cb 0.05 0.10 -0.00 0.00 0.73 0.00 0.00 38.32 39.20 1ffy h ASN 564 CO -0.03 0.06 -0.16 0.77 -1.29 0.00 0.00 177.43 176.78 1ffy h SER 565 N -0.91 0.00 0.04 1.15 4.64 -1.32 -1.01 113.55 116.14 1ffy h SER 565 Ca -0.04 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.01 1ffy h SER 565 Cb 0.52 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.63 1ffy h SER 565 CO 0.07 0.16 -1.04 0.28 -0.87 0.00 0.00 176.83 175.43 1ffy h SER 566 N 0.00 0.88 0.49 4.97 0.02 -1.36 -2.58 113.55 115.96 1ffy h SER 566 Ca -0.00 -0.71 -0.24 0.00 -0.84 0.00 0.00 61.79 60.01 1ffy h SER 566 Cb 0.37 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1ffy h SER 566 CO 0.02 1.51 -1.03 -0.29 -1.14 0.00 0.00 176.83 175.90 1ffy h ILE 567 N 0.38 1.45 -0.41 3.27 2.10 -1.18 -1.52 117.51 121.61 1ffy h ILE 567 Ca -0.13 -2.70 -0.01 0.00 1.08 0.00 0.00 64.86 63.11 1ffy h ILE 567 Cb 1.69 2.61 -0.02 0.00 -1.09 0.00 0.00 36.82 40.01 1ffy h ILE 567 CO 0.20 0.79 0.22 0.74 -1.08 0.00 0.00 178.15 179.03 1ffy h THR 568 N 0.15 1.16 -0.29 2.19 2.02 -1.27 0.68 112.91 117.56 1ffy h THR 568 Ca -0.09 -0.42 -0.18 0.00 0.77 0.00 0.00 66.41 66.49 1ffy h THR 568 Cb 1.70 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 1ffy h THR 568 CO 0.17 0.17 -0.51 0.00 0.37 0.00 0.00 175.52 175.72 1ffy h THR 569 N 0.53 1.28 -0.41 3.16 1.03 -1.48 -2.42 112.91 114.60 1ffy h THR 569 Ca 0.14 -1.69 -0.12 0.00 -0.01 0.00 0.00 66.41 64.73 1ffy h THR 569 Cb 0.07 1.63 -0.01 0.00 -1.07 0.00 0.00 68.15 68.77 1ffy h THR 569 CO -0.02 0.55 -0.23 -1.28 -0.01 0.00 0.00 175.52 174.53 1ffy h SER 570 N 0.63 0.91 -0.36 0.00 0.87 -1.10 -2.71 113.55 111.80 1ffy h SER 570 Ca 0.02 -0.41 -0.08 0.00 -1.23 0.00 0.00 61.79 60.09 1ffy h SER 570 Cb 1.11 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.81 1ffy h SER 570 CO 0.11 1.13 -0.09 0.58 -0.53 0.00 0.00 176.83 178.03 1ffy h VAL 571 N 0.70 1.28 -0.94 2.23 2.07 -0.91 0.94 116.25 121.62 1ffy h VAL 571 Ca 0.09 -1.15 0.10 0.00 0.82 0.00 0.00 66.70 66.56 1ffy h VAL 571 Cb 0.79 1.29 -0.08 0.00 -1.52 0.00 0.00 31.29 31.78 1ffy h VAL 571 CO 0.07 0.38 0.58 0.00 0.02 0.00 0.00 177.57 178.61 1ffy h ALA 572 N 0.82 1.38 0.00 1.67 0.00 -1.39 0.13 119.26 121.87 1ffy h ALA 572 Ca 0.09 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1ffy h ALA 572 Cb 0.59 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ffy h ALA 572 CO 0.04 0.22 -1.83 0.25 0.00 0.00 0.00 179.25 177.92 1ffy n THR 573 N -4.64 0.07 0.00 0.00 -2.24 -1.03 -4.69 114.28 101.75 1ffy n THR 573 Ca 0.17 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1ffy n THR 573 Cb 0.30 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1ffy n THR 573 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ffy n ARG 574 N -2.15 1.19 -0.98 -0.78 5.12 0.32 -5.02 116.66 114.38 1ffy n ARG 574 Ca -0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 1ffy n ARG 574 Cb 0.50 -0.91 0.00 0.00 -1.16 0.00 0.00 32.46 30.89 1ffy n ARG 574 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ffy n GLY 575 N 2.18 0.77 3.13 -0.13 0.00 0.46 -4.95 105.19 106.65 1ffy n GLY 575 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1ffy n GLY 575 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ffy s VAL 576 N -3.15 0.56 0.43 1.61 -7.23 -1.26 -4.91 120.40 106.45 1ffy s VAL 576 Ca 0.00 -1.70 -0.25 0.00 -1.81 0.00 0.00 61.98 58.22 1ffy s VAL 576 Cb 0.00 -1.39 -0.08 0.00 0.56 0.00 0.00 36.38 35.48 1ffy s VAL 576 CO 0.00 -0.79 1.25 -0.55 -0.31 0.00 0.00 175.10 174.70 1ffy s SER 577 N -2.67 6.20 0.00 4.85 0.15 -1.26 -3.55 113.70 117.42 1ffy s SER 577 Ca 0.06 2.52 0.31 0.00 0.70 0.00 0.00 55.95 59.53 1ffy s SER 577 Cb 0.02 -2.62 1.85 0.00 -1.71 0.00 0.00 66.02 63.56 1ffy s SER 577 CO -0.05 -0.91 2.18 -0.81 1.20 0.00 0.00 173.24 174.86 1ffy n PRO 578 N -0.16 0.98 -3.74 5.44 -0.04 -1.26 -4.71 135.00 131.50 1ffy n PRO 578 Ca 0.05 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.36 1ffy n PRO 578 Cb 0.45 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.26 1ffy n PRO 578 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1ffy s TYR 579 N -2.00 -0.02 0.19 0.54 -0.85 -1.26 -1.32 117.35 112.63 1ffy s TYR 579 Ca 0.47 0.25 0.16 0.00 -0.52 0.00 0.00 57.07 57.43 1ffy s TYR 579 Cb 0.21 -0.25 0.56 0.00 0.38 0.00 0.00 41.96 42.87 1ffy s TYR 579 CO 0.36 -0.13 1.69 0.87 -1.52 0.00 0.00 175.55 176.81 1ffy h LYS 580 N 7.54 0.00 -3.80 -3.49 1.57 -1.20 -3.44 116.57 113.74 1ffy h LYS 580 Ca -0.38 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.09 1ffy h LYS 580 Cb 1.12 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.12 1ffy h LYS 580 CO 0.39 0.45 -0.74 0.12 -0.57 0.00 0.00 179.45 179.11 1ffy s PHE 581 N -3.58 0.24 -0.23 -1.35 5.36 -0.73 -1.74 117.98 115.95 1ffy s PHE 581 Ca -0.00 0.00 0.01 0.00 -0.96 0.00 0.00 56.93 55.97 1ffy s PHE 581 Cb 0.11 -0.28 0.03 0.00 -0.34 0.00 0.00 43.02 42.55 1ffy s PHE 581 CO 0.71 -0.07 -0.12 -1.17 -1.46 0.00 0.00 175.22 173.11 1ffy s LEU 582 N 0.60 2.96 -0.10 6.12 2.96 -0.20 -2.16 118.68 128.86 1ffy s LEU 582 Ca -0.06 -0.97 0.04 0.00 -0.22 0.00 0.00 54.13 52.92 1ffy s LEU 582 Cb -0.09 -1.57 -0.00 0.00 0.50 0.00 0.00 46.19 45.03 1ffy s LEU 582 CO -0.01 -0.11 -0.22 -0.22 -1.32 0.00 0.00 176.35 174.47 1ffy s LEU 583 N 1.25 2.19 0.14 -0.68 2.96 -0.76 -3.81 118.68 119.97 1ffy s LEU 583 Ca -0.01 -0.52 0.08 0.00 -0.22 0.00 0.00 54.13 53.46 1ffy s LEU 583 Cb -0.17 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 1ffy s LEU 583 CO -0.07 0.17 -0.17 -0.94 -1.32 0.00 0.00 176.35 174.02 1ffy s SER 584 N 0.29 2.43 0.34 3.68 1.04 -1.26 -2.77 113.70 117.45 1ffy s SER 584 Ca -0.16 -0.82 0.04 0.00 0.48 0.00 0.00 55.95 55.49 1ffy s SER 584 Cb -0.17 -0.13 -0.07 0.00 0.10 0.00 0.00 66.02 65.76 1ffy s SER 584 CO 0.08 -0.06 0.05 -1.38 0.98 0.00 0.00 173.24 172.91 1ffy s HIS 585 N -1.96 2.07 0.05 5.02 -3.43 -0.68 -4.61 115.29 111.75 1ffy s HIS 585 Ca 0.12 -0.90 -0.00 0.00 -0.80 0.00 0.00 55.06 53.48 1ffy s HIS 585 Cb -0.06 -1.38 0.01 0.00 -1.43 0.00 0.00 32.58 29.72 1ffy s HIS 585 CO 0.05 0.09 0.07 0.41 -2.00 0.00 0.00 174.74 173.37 1ffy n GLY 586 N -0.74 0.43 3.96 -1.38 0.00 0.18 -1.54 105.19 106.10 1ffy n GLY 586 Ca -0.03 -1.91 -0.22 0.00 0.00 0.00 0.00 46.02 43.86 1ffy n GLY 586 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ffy s PHE 587 N -0.19 3.25 -0.25 1.61 0.40 -1.26 -4.74 117.98 116.80 1ffy s PHE 587 Ca 0.05 0.12 -0.19 0.00 -0.60 0.00 0.00 56.93 56.30 1ffy s PHE 587 Cb -0.00 -2.12 -0.02 0.00 0.51 0.00 0.00 43.02 41.39 1ffy s PHE 587 CO 0.03 -0.14 0.56 0.08 0.70 0.00 0.00 175.22 176.45 1ffy s VAL 588 N -2.38 5.04 0.49 -0.44 1.01 -1.26 -1.04 120.40 121.82 1ffy s VAL 588 Ca 0.45 0.98 0.07 0.00 0.00 0.00 0.00 61.98 63.49 1ffy s VAL 588 Cb -0.10 -3.87 0.02 0.00 0.00 0.00 0.00 36.38 32.43 1ffy s VAL 588 CO 0.35 0.08 0.46 -0.04 0.00 0.00 0.00 175.10 175.95 1ffy s MET 589 N 2.28 2.40 0.00 2.72 -1.94 0.19 -4.61 119.30 120.34 1ffy s MET 589 Ca 0.23 -1.73 0.00 0.00 -1.71 0.00 0.00 55.69 52.49 1ffy s MET 589 Cb -0.16 -2.32 0.00 0.00 2.01 0.00 0.00 34.83 34.36 1ffy s MET 589 CO 0.09 -0.46 0.00 -0.40 -0.01 0.00 0.00 175.02 174.24 1ffy n ASP 590 N -1.74 0.00 0.28 3.03 5.75 -0.43 -1.50 116.55 121.94 1ffy n ASP 590 Ca 0.04 -0.91 0.14 0.00 -0.01 0.00 0.00 54.79 54.04 1ffy n ASP 590 Cb 0.63 0.00 0.83 0.00 -1.03 0.00 0.00 41.12 41.54 1ffy n ASP 590 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1ffy h GLY 591 N 0.00 0.00 -0.90 6.12 0.00 -1.85 -1.72 103.07 104.72 1ffy h GLY 591 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ffy h GLY 591 CO 0.00 0.00 -0.08 1.18 0.00 0.00 0.00 176.54 177.64 1ffy n GLU 592 N -3.74 1.72 -0.75 4.80 -0.58 -1.26 -4.91 120.64 115.92 1ffy n GLU 592 Ca -0.02 -1.22 0.00 0.00 -0.42 0.00 0.00 57.16 55.50 1ffy n GLU 592 Cb 0.16 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 1ffy n GLU 592 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ffy n GLY 593 N 1.28 0.58 3.81 0.62 0.00 -0.65 -5.05 105.19 105.79 1ffy n GLY 593 Ca 0.15 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 1ffy n GLY 593 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ffy s LYS 594 N -0.93 3.02 0.23 1.61 1.02 -1.26 -4.78 119.74 118.65 1ffy s LYS 594 Ca 0.00 -0.66 -0.31 0.00 0.02 0.00 0.00 55.97 55.02 1ffy s LYS 594 Cb 0.00 -2.79 -0.14 0.00 -0.52 0.00 0.00 37.83 34.38 1ffy s LYS 594 CO 0.00 0.56 1.32 1.63 -0.92 0.00 0.00 175.35 177.94 1ffy n LYS 595 N 0.28 1.77 -2.46 1.68 5.02 -1.26 -1.31 118.16 121.88 1ffy n LYS 595 Ca -0.08 0.63 -0.41 0.00 -2.02 0.00 0.00 58.31 56.43 1ffy n LYS 595 Cb 0.52 -2.23 -0.04 0.00 -0.02 0.00 0.00 35.03 33.27 1ffy n LYS 595 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1ffy s MET 596 N -0.50 4.54 0.00 1.97 -1.94 -1.26 -4.81 119.30 117.30 1ffy s MET 596 Ca 0.69 1.77 0.00 0.00 -1.71 0.00 0.00 55.69 56.44 1ffy s MET 596 Cb -0.70 -3.28 0.00 0.00 2.01 0.00 0.00 34.83 32.86 1ffy s MET 596 CO 0.51 -0.03 0.00 0.45 -0.01 0.00 0.00 175.02 175.94 1ffy n SER 597 N 2.67 0.00 0.00 3.03 2.88 -1.26 -4.96 113.62 115.98 1ffy n SER 597 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1ffy n SER 597 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 1ffy n SER 597 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1ffy n LYS 598 N -0.32 0.00 0.26 -1.46 5.02 -1.26 -4.84 118.16 115.56 1ffy n LYS 598 Ca 0.00 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.45 1ffy n LYS 598 Cb 0.00 0.00 0.55 0.00 -0.02 0.00 0.00 35.03 35.56 1ffy n LYS 598 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1ffy h SER 599 N 1.23 0.00 0.09 4.39 4.64 -2.01 -2.77 113.55 119.13 1ffy h SER 599 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ffy h SER 599 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ffy h SER 599 CO 0.00 0.00 -1.35 0.18 -0.87 0.00 0.00 176.83 174.79 1ffy n LEU 600 N -3.06 0.57 -2.09 5.97 4.77 -1.26 -5.01 117.00 116.89 1ffy n LEU 600 Ca 0.02 -0.22 -0.17 0.00 -0.03 0.00 0.00 56.01 55.61 1ffy n LEU 600 Cb 0.36 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.44 1ffy n LEU 600 CO 0.29 0.12 -0.11 0.61 -1.33 0.00 0.00 177.39 176.96 1ffy n GLY 601 N 1.39 -0.28 1.26 -0.72 0.00 -1.05 -4.92 105.19 100.88 1ffy n GLY 601 Ca 0.01 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 1ffy n GLY 601 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ffy n ASN 602 N -1.31 3.22 0.00 1.61 2.04 -1.26 -4.92 115.26 114.63 1ffy n ASN 602 Ca -0.15 -3.83 0.00 0.00 -0.44 0.00 0.00 54.58 50.16 1ffy n ASN 602 Cb 0.62 -0.47 0.00 0.00 -2.53 0.00 0.00 39.78 37.41 1ffy n ASN 602 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34 1ffy n VAL 603 N -0.95 0.00 -1.36 3.53 0.31 -1.26 -4.64 118.33 113.96 1ffy n VAL 603 Ca 0.31 0.43 0.00 0.00 -0.01 0.00 0.00 64.34 65.07 1ffy n VAL 603 Cb 0.83 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 1ffy n VAL 603 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1ffy n ILE 604 N -1.05 -7.23 -4.33 2.52 5.41 -1.26 -4.99 119.36 108.43 1ffy n ILE 604 Ca 0.00 1.51 -0.29 0.00 1.00 0.00 0.00 62.75 64.97 1ffy n ILE 604 Cb 0.00 -3.92 -0.12 0.00 -0.71 0.00 0.00 39.64 34.90 1ffy n ILE 604 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1ffy s VAL 605 N -0.25 2.69 0.17 1.39 1.01 -1.26 -4.63 120.40 119.52 1ffy s VAL 605 Ca 0.00 -1.58 -0.16 0.00 0.00 0.00 0.00 61.98 60.24 1ffy s VAL 605 Cb 0.00 -2.23 0.08 0.00 0.00 0.00 0.00 36.38 34.23 1ffy s VAL 605 CO 0.00 0.09 1.69 -0.65 0.00 0.00 0.00 175.10 176.23 1ffy h PRO 606 N 3.75 0.09 -1.00 2.72 0.11 -1.85 -1.67 132.00 134.15 1ffy h PRO 606 Ca -0.50 -0.01 0.22 0.00 0.11 0.00 0.00 66.00 65.82 1ffy h PRO 606 Cb 1.17 -0.02 -0.11 0.00 0.11 0.00 0.00 31.00 32.15 1ffy h PRO 606 CO 0.44 0.06 0.62 0.22 -0.21 0.00 0.00 178.00 179.13 1ffy h ASP 607 N 0.10 0.68 0.06 -2.05 3.58 -1.97 -1.31 116.42 115.50 1ffy h ASP 607 Ca 0.20 0.10 -0.23 0.00 0.42 0.00 0.00 57.03 57.53 1ffy h ASP 607 Cb 0.29 -0.01 0.01 0.00 1.72 0.00 0.00 39.33 41.34 1ffy h ASP 607 CO -0.35 0.19 -0.87 1.56 -2.88 0.00 0.00 179.24 176.89 1ffy h GLN 608 N 0.63 0.63 -0.55 0.28 1.08 -1.74 -2.14 115.11 113.30 1ffy h GLN 608 Ca 0.59 -0.58 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1ffy h GLN 608 Cb 1.10 0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 28.65 1ffy h GLN 608 CO -0.38 1.19 0.29 0.28 -0.95 0.00 0.00 178.83 179.26 1ffy h VAL 609 N 0.40 1.19 0.35 -0.54 2.07 -0.91 -0.77 116.25 118.05 1ffy h VAL 609 Ca -0.07 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1ffy h VAL 609 Cb 1.50 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1ffy h VAL 609 CO 0.17 0.21 -0.17 0.58 0.02 0.00 0.00 177.57 178.38 1ffy h VAL 610 N 0.74 0.66 -0.28 2.57 2.07 -1.29 0.23 116.25 120.95 1ffy h VAL 610 Ca 0.19 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1ffy h VAL 610 Cb 0.07 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1ffy h VAL 610 CO -0.03 0.06 0.17 0.11 0.02 0.00 0.00 177.57 177.90 1ffy h LYS 611 N -0.64 0.38 0.00 1.57 1.79 -1.36 -0.23 116.57 118.09 1ffy h LYS 611 Ca -0.05 -0.03 -0.27 0.00 -2.18 0.00 0.00 60.65 58.12 1ffy h LYS 611 Cb 0.46 -0.08 0.02 0.00 -1.58 0.00 0.00 32.23 31.05 1ffy h LYS 611 CO 0.08 0.29 -1.05 1.96 -1.08 0.00 0.00 179.45 179.65 1ffy h GLN 612 N 0.36 0.70 0.00 3.15 4.20 -1.17 -3.43 115.11 118.92 1ffy h GLN 612 Ca 0.10 -0.76 -0.01 0.00 0.06 0.00 0.00 58.65 58.04 1ffy h GLN 612 Cb 0.01 0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 1ffy h GLN 612 CO -0.02 1.33 -1.04 1.63 -0.67 0.00 0.00 178.83 180.06 1ffy n LYS 613 N -3.86 0.97 0.00 1.46 5.02 0.65 -4.94 118.16 117.47 1ffy n LYS 613 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1ffy n LYS 613 Cb 0.89 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.88 1ffy n LYS 613 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ffy n GLY 614 N 3.34 3.97 0.28 0.72 0.00 -0.10 -4.46 105.19 108.93 1ffy n GLY 614 Ca -0.01 -1.60 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 1ffy n GLY 614 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ffy h ALA 615 N 0.00 0.80 0.00 4.61 0.00 -1.83 -2.58 119.26 120.27 1ffy h ALA 615 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1ffy h ALA 615 Cb 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1ffy h ALA 615 CO 0.00 0.66 -0.05 -0.44 0.00 0.00 0.00 179.25 179.41 1ffy h ASP 616 N 0.82 0.00 -0.01 0.00 5.19 -1.90 -0.56 116.42 119.96 1ffy h ASP 616 Ca 0.12 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.32 1ffy h ASP 616 Cb 0.71 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.24 1ffy h ASP 616 CO 0.05 0.05 -0.82 0.40 -3.12 0.00 0.00 179.24 175.80 1ffy h ILE 617 N 0.00 1.35 -0.64 0.35 2.04 -1.77 -1.55 117.51 117.30 1ffy h ILE 617 Ca -0.00 -2.15 -0.01 0.00 1.00 0.00 0.00 64.86 63.70 1ffy h ILE 617 Cb 0.11 2.47 -0.03 0.00 -0.74 0.00 0.00 36.82 38.62 1ffy h ILE 617 CO 0.01 0.65 0.36 0.00 0.00 0.00 0.00 178.15 179.17 1ffy h ALA 618 N 0.37 1.45 -0.13 1.87 0.00 -0.89 -1.96 119.26 119.97 1ffy h ALA 618 Ca -0.10 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1ffy h ALA 618 Cb 1.50 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ffy h ALA 618 CO 0.16 0.47 -0.09 0.00 0.00 0.00 0.00 179.25 179.79 1ffy h ARG 619 N 0.88 0.29 -0.46 0.00 3.08 -1.11 -2.30 114.38 114.76 1ffy h ARG 619 Ca 0.23 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1ffy h ARG 619 Cb -0.00 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1ffy h ARG 619 CO -0.04 0.65 0.29 1.25 -1.07 0.00 0.00 179.97 181.05 1ffy h LEU 620 N -0.07 0.53 -0.05 3.04 5.85 -1.04 -1.38 115.31 122.19 1ffy h LEU 620 Ca 0.03 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1ffy h LEU 620 Cb 0.58 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 1ffy h LEU 620 CO 0.02 0.39 0.03 -0.25 -0.34 0.00 0.00 178.44 178.29 1ffy h TRP 621 N 0.62 0.06 -0.21 1.25 7.01 -1.26 -2.43 115.95 121.00 1ffy h TRP 621 Ca 0.17 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.22 1ffy h TRP 621 Cb -0.05 -0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 26.93 1ffy h TRP 621 CO 0.00 0.11 -0.17 0.28 -2.79 0.00 0.00 178.44 175.86 1ffy h VAL 622 N -0.00 0.52 -0.01 2.65 2.07 -0.70 -0.36 116.25 120.43 1ffy h VAL 622 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1ffy h VAL 622 Cb 0.06 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1ffy h VAL 622 CO -0.00 0.00 0.08 0.77 0.02 0.00 0.00 177.57 178.44 1ffy h SER 623 N -0.18 0.00 0.15 0.57 4.64 -1.14 -1.27 113.55 116.32 1ffy h SER 623 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1ffy h SER 623 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1ffy h SER 623 CO -0.32 0.00 -0.24 -1.54 -0.87 0.00 0.00 176.83 173.86 1ffy n SER 624 N -3.14 1.30 -4.90 4.97 3.41 -0.16 -2.10 113.62 113.00 1ffy n SER 624 Ca -0.03 -1.11 -0.32 0.00 -0.26 0.00 0.00 58.87 57.16 1ffy n SER 624 Cb 0.15 0.16 -0.05 0.00 -0.26 0.00 0.00 64.21 64.21 1ffy n SER 624 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ffy s THR 625 N -2.41 5.30 -1.12 6.66 -4.23 -0.48 -4.93 115.64 114.43 1ffy s THR 625 Ca 0.26 -0.12 -0.15 0.00 -1.18 0.00 0.00 61.69 60.50 1ffy s THR 625 Cb 0.19 -3.61 0.16 0.00 1.34 0.00 0.00 72.50 70.59 1ffy s THR 625 CO 0.49 0.17 1.33 -0.62 -0.54 0.00 0.00 174.62 175.46 1ffy s ASP 626 N -2.27 6.94 0.24 3.99 2.15 -1.26 -4.67 116.67 121.80 1ffy s ASP 626 Ca 0.35 -2.73 0.18 0.00 0.43 0.00 0.00 52.55 50.78 1ffy s ASP 626 Cb -0.13 -2.40 0.92 0.00 -0.30 0.00 0.00 42.92 41.02 1ffy s ASP 626 CO 0.24 -0.83 1.56 0.00 -0.17 0.00 0.00 175.17 175.96 1ffy n TYR 627 N 5.86 0.60 0.32 -5.34 0.18 -1.26 -2.13 117.16 115.39 1ffy n TYR 627 Ca 0.33 0.29 0.14 0.00 1.88 0.00 0.00 57.90 60.54 1ffy n TYR 627 Cb 0.45 -0.97 0.63 0.00 -0.38 0.00 0.00 39.34 39.06 1ffy n TYR 627 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 1ffy h LEU 628 N 0.00 0.00 0.00 -3.48 3.38 -1.88 0.53 115.31 113.85 1ffy h LEU 628 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ffy h LEU 628 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1ffy h LEU 628 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1ffy n ALA 629 N -1.88 0.00 -1.78 1.53 0.00 -0.90 -4.46 120.51 113.01 1ffy n ALA 629 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.11 1ffy n ALA 629 Cb 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.62 1ffy n ALA 629 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ffy s ASP 630 N -0.13 6.25 0.35 0.00 1.01 -1.26 -2.55 116.67 120.33 1ffy s ASP 630 Ca 0.00 1.93 0.08 0.00 0.71 0.00 0.00 52.55 55.28 1ffy s ASP 630 Cb 0.00 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.32 1ffy s ASP 630 CO 0.00 -0.85 0.08 0.68 0.21 0.00 0.00 175.17 175.30 1ffy s VAL 631 N -2.02 2.76 -0.03 -1.27 -7.23 -0.20 -4.83 120.40 107.58 1ffy s VAL 631 Ca 0.67 -1.83 0.03 0.00 -1.81 0.00 0.00 61.98 59.05 1ffy s VAL 631 Cb -0.17 -2.90 -0.00 0.00 0.56 0.00 0.00 36.38 33.88 1ffy s VAL 631 CO 0.22 -0.17 -0.12 -0.13 -0.31 0.00 0.00 175.10 174.59 1ffy s ARG 632 N -3.79 1.19 0.03 4.82 0.52 -1.26 0.56 118.95 121.02 1ffy s ARG 632 Ca 0.37 -0.42 0.03 0.00 -0.52 0.00 0.00 55.73 55.18 1ffy s ARG 632 Cb -0.01 -1.09 -0.02 0.00 0.52 0.00 0.00 34.95 34.35 1ffy s ARG 632 CO 0.21 0.19 -0.09 -1.50 0.02 0.00 0.00 175.30 174.14 1ffy s ILE 633 N 0.02 0.64 0.18 1.52 2.07 -0.56 -4.94 121.20 120.12 1ffy s ILE 633 Ca -0.01 -0.81 -0.23 0.00 -1.41 0.00 0.00 60.65 58.19 1ffy s ILE 633 Cb -0.08 -0.63 0.07 0.00 0.13 0.00 0.00 42.46 41.95 1ffy s ILE 633 CO 0.01 -0.14 1.02 -0.94 -1.91 0.00 0.00 174.94 172.98 1ffy s SER 634 N -1.05 -0.04 0.23 4.50 1.04 -1.26 -2.94 113.70 114.19 1ffy s SER 634 Ca -0.04 -0.61 0.01 0.00 0.48 0.00 0.00 55.95 55.79 1ffy s SER 634 Cb -0.07 0.50 0.24 0.00 0.10 0.00 0.00 66.02 66.78 1ffy s SER 634 CO 0.00 -0.97 1.58 0.44 0.98 0.00 0.00 173.24 175.27 1ffy h ASP 635 N 2.00 0.46 -0.25 7.02 3.32 -2.01 -1.01 116.42 125.96 1ffy h ASP 635 Ca -0.27 -0.23 -0.17 0.00 0.02 0.00 0.00 57.03 56.38 1ffy h ASP 635 Cb 1.22 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.64 1ffy h ASP 635 CO 0.34 0.88 -0.50 -0.08 -1.72 0.00 0.00 179.24 178.15 1ffy h GLU 636 N 0.34 0.83 -0.26 3.56 4.81 -1.99 -1.19 114.58 120.67 1ffy h GLU 636 Ca 0.02 -0.50 -0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1ffy h GLU 636 Cb 0.99 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 1ffy h GLU 636 CO 0.09 1.13 0.16 0.82 -0.73 0.00 0.00 179.01 180.47 1ffy h ILE 637 N 0.65 1.10 -0.06 2.32 2.04 -1.89 -2.51 117.51 119.15 1ffy h ILE 637 Ca 0.03 -0.25 -0.10 0.00 1.00 0.00 0.00 64.86 65.53 1ffy h ILE 637 Cb 1.09 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1ffy h ILE 637 CO 0.11 0.10 -0.43 -0.07 0.00 0.00 0.00 178.15 177.86 1ffy h LEU 638 N 0.33 0.14 -1.13 1.44 3.38 -1.15 -1.93 115.31 116.40 1ffy h LEU 638 Ca 0.09 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1ffy h LEU 638 Cb 0.03 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1ffy h LEU 638 CO -0.02 0.56 0.58 0.50 0.09 0.00 0.00 178.44 180.16 1ffy h LYS 639 N 0.11 1.17 0.18 1.13 3.64 -0.95 0.29 116.57 122.14 1ffy h LYS 639 Ca 0.01 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1ffy h LYS 639 Cb 0.82 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1ffy h LYS 639 CO 0.06 0.77 -0.09 1.96 -2.27 0.00 0.00 179.45 179.89 1ffy h GLN 640 N 1.20 -0.23 -0.72 1.90 4.20 -0.96 -0.51 115.11 120.00 1ffy h GLN 640 Ca 0.32 0.02 0.11 0.00 0.06 0.00 0.00 58.65 59.16 1ffy h GLN 640 Cb -0.14 0.05 -0.08 0.00 0.30 0.00 0.00 27.48 27.62 1ffy h GLN 640 CO -0.07 -0.15 0.34 1.15 -0.67 0.00 0.00 178.83 179.43 1ffy h THR 641 N -0.25 0.79 -0.88 -0.54 2.02 -0.57 -0.03 112.91 113.45 1ffy h THR 641 Ca -0.02 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 66.98 1ffy h THR 641 Cb 0.19 0.19 -0.05 0.00 -1.74 0.00 0.00 68.15 66.75 1ffy h THR 641 CO 0.04 0.10 0.58 0.28 0.37 0.00 0.00 175.52 176.89 1ffy h SER 642 N 0.55 1.00 -0.10 4.18 0.02 -0.06 -0.30 113.55 118.84 1ffy h SER 642 Ca 0.37 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 61.20 1ffy h SER 642 Cb 0.44 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1ffy h SER 642 CO -0.31 0.71 -0.25 0.44 -1.14 0.00 0.00 176.83 176.29 1ffy h ASP 643 N 1.17 0.55 -0.08 3.07 3.32 0.59 -0.51 116.42 124.54 1ffy h ASP 643 Ca 0.33 -0.19 -0.24 0.00 0.02 0.00 0.00 57.03 56.94 1ffy h ASP 643 Cb -0.11 -0.15 0.02 0.00 0.22 0.00 0.00 39.33 39.31 1ffy h ASP 643 CO -0.08 0.79 -0.91 0.44 -1.72 0.00 0.00 179.24 177.76 1ffy h ASP 644 N 0.48 0.93 -0.53 6.45 5.19 -0.81 -2.58 116.42 125.55 1ffy h ASP 644 Ca 0.07 -0.68 0.00 0.00 -0.62 0.00 0.00 57.03 55.80 1ffy h ASP 644 Cb 0.69 -0.28 -0.03 0.00 0.18 0.00 0.00 39.33 39.89 1ffy h ASP 644 CO 0.05 1.48 0.35 0.22 -3.12 0.00 0.00 179.24 178.22 1ffy h TYR 645 N 0.47 0.67 -0.74 4.55 3.20 -0.91 -0.69 116.97 123.52 1ffy h TYR 645 Ca -0.09 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 1ffy h TYR 645 Cb 1.55 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 39.56 1ffy h TYR 645 CO 0.10 0.43 0.43 0.00 -1.64 0.00 0.00 178.16 177.47 1ffy h ARG 646 N 0.71 1.01 -0.40 1.82 2.47 -1.07 -0.56 114.38 118.36 1ffy h ARG 646 Ca 0.19 -0.10 -0.15 0.00 -1.26 0.00 0.00 59.98 58.67 1ffy h ARG 646 Cb -0.07 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.03 1ffy h ARG 646 CO -0.04 0.72 -0.34 -0.22 0.56 0.00 0.00 179.97 180.65 1ffy h LYS 647 N 1.02 0.92 -0.01 0.04 1.63 -0.97 0.29 116.57 119.49 1ffy h LYS 647 Ca 0.26 -0.46 -0.00 0.00 -0.85 0.00 0.00 60.65 59.61 1ffy h LYS 647 Cb -0.01 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.62 1ffy h LYS 647 CO -0.05 1.11 0.00 0.82 -3.45 0.00 0.00 179.45 177.89 1ffy h ILE 648 N 0.76 1.19 -0.04 2.00 2.04 -0.70 -1.69 117.51 121.07 1ffy h ILE 648 Ca 0.07 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 65.38 1ffy h ILE 648 Cb 0.92 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 1ffy h ILE 648 CO 0.09 0.15 -0.07 -0.09 0.00 0.00 0.00 178.15 178.23 1ffy h ARG 649 N -0.21 -0.09 -0.97 2.37 2.43 -1.08 -1.40 114.38 115.42 1ffy h ARG 649 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1ffy h ARG 649 Cb 0.24 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.77 1ffy h ARG 649 CO 0.00 -0.06 0.61 -0.97 -1.51 0.00 0.00 179.97 178.03 1ffy h ASN 650 N -0.10 1.14 -0.28 -3.80 -0.00 -0.90 0.08 115.58 111.72 1ffy h ASN 650 Ca 0.04 -0.05 -0.03 0.00 -0.00 0.00 0.00 56.30 56.26 1ffy h ASN 650 Cb 0.15 -0.29 -0.01 0.00 -0.00 0.00 0.00 38.32 38.17 1ffy h ASN 650 CO -0.10 0.86 0.08 0.74 -0.00 0.00 0.00 177.43 179.01 1ffy h THR 651 N 1.33 1.21 -0.59 -3.57 2.02 -1.03 -1.89 112.91 110.38 1ffy h THR 651 Ca 0.35 -0.68 0.01 0.00 0.77 0.00 0.00 66.41 66.86 1ffy h THR 651 Cb -0.09 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1ffy h THR 651 CO -0.07 0.22 0.39 -0.07 0.37 0.00 0.00 175.52 176.36 1ffy h LEU 652 N 0.30 0.67 -0.13 2.58 3.38 -0.82 -2.41 115.31 118.88 1ffy h LEU 652 Ca 0.09 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ffy h LEU 652 Cb 0.26 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1ffy h LEU 652 CO -0.00 0.48 0.07 -0.09 0.09 0.00 0.00 178.44 178.99 1ffy h ARG 653 N 0.79 0.18 -0.53 1.13 2.43 -0.41 -1.17 114.38 116.81 1ffy h ARG 653 Ca 0.22 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1ffy h ARG 653 Cb -0.08 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 1ffy h ARG 653 CO -0.05 0.21 0.35 0.35 -1.51 0.00 0.00 179.97 179.32 1ffy h PHE 654 N 0.11 0.66 -0.69 2.20 3.57 -0.90 -0.52 116.94 121.37 1ffy h PHE 654 Ca 0.05 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1ffy h PHE 654 Cb 0.08 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 1ffy h PHE 654 CO -0.04 0.42 0.34 0.52 -2.23 0.00 0.00 178.31 177.32 1ffy h MET 655 N 0.72 0.99 -0.31 1.11 2.86 -1.37 -2.46 114.93 116.47 1ffy h MET 655 Ca 0.20 -0.14 0.03 0.00 -2.06 0.00 0.00 59.70 57.72 1ffy h MET 655 Cb -0.08 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.37 1ffy h MET 655 CO -0.04 0.78 0.13 -0.07 1.06 0.00 0.00 176.91 178.76 1ffy h LEU 656 N 0.96 0.17 -1.99 1.22 3.38 -0.67 -2.08 115.31 116.31 1ffy h LEU 656 Ca 0.24 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1ffy h LEU 656 Cb 0.10 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1ffy h LEU 656 CO -0.03 0.14 0.00 1.23 0.09 0.00 0.00 178.44 179.86 1ffy h GLY 657 N 0.28 0.00 -2.54 0.83 0.00 -0.87 -2.89 103.07 97.88 1ffy h GLY 657 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1ffy h GLY 657 CO -0.12 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.12 1ffy n ASN 658 N -3.05 3.87 -0.14 0.19 3.02 -0.80 -0.40 115.26 117.95 1ffy n ASN 658 Ca -0.01 -2.02 0.02 0.00 -0.03 0.00 0.00 54.58 52.54 1ffy n ASN 658 Cb 0.22 -0.46 0.02 0.00 -0.61 0.00 0.00 39.78 38.95 1ffy n ASN 658 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1ffy n ILE 659 N 1.49 0.56 0.24 2.41 -6.64 -1.10 -4.78 119.36 111.54 1ffy n ILE 659 Ca 0.23 -0.62 0.07 0.00 -1.77 0.00 0.00 62.75 60.66 1ffy n ILE 659 Cb 0.61 0.54 0.59 0.00 -1.44 0.00 0.00 39.64 39.94 1ffy n ILE 659 CO 0.00 0.00 0.00 -1.13 -1.77 0.00 0.00 176.55 173.65 1ffy h ASN 660 N 0.00 0.00 -0.41 7.28 -0.73 -1.67 -2.03 115.58 118.03 1ffy h ASN 660 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1ffy h ASN 660 Cb 0.99 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.58 1ffy h ASN 660 CO 0.00 0.09 0.00 -0.90 -0.37 0.00 0.00 177.43 176.25 1ffy n ASP 661 N -4.39 3.99 -4.61 1.15 3.85 -1.26 -4.94 116.55 110.34 1ffy n ASP 661 Ca -0.03 -2.59 -0.37 0.00 -0.71 0.00 0.00 54.79 51.10 1ffy n ASP 661 Cb 0.16 -0.48 -0.10 0.00 -1.35 0.00 0.00 41.12 39.35 1ffy n ASP 661 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 1ffy s PHE 662 N -2.07 3.25 -0.40 2.11 5.36 -0.76 -5.05 117.98 120.42 1ffy s PHE 662 Ca 0.40 0.10 -0.05 0.00 -0.96 0.00 0.00 56.93 56.42 1ffy s PHE 662 Cb 0.28 -2.27 0.09 0.00 -0.34 0.00 0.00 43.02 40.78 1ffy s PHE 662 CO 0.15 -0.03 0.20 1.21 -1.46 0.00 0.00 175.22 175.29 1ffy s ASN 663 N 1.21 5.35 0.40 6.13 3.84 -1.26 -4.94 114.94 125.68 1ffy s ASN 663 Ca 0.07 -1.71 0.16 0.00 0.21 0.00 0.00 52.86 51.59 1ffy s ASN 663 Cb -0.14 -1.87 1.04 0.00 -0.55 0.00 0.00 41.25 39.73 1ffy s ASN 663 CO 0.05 -0.50 1.83 -0.65 -2.79 0.00 0.00 177.10 175.05 1ffy h PRO 664 N 8.19 0.44 -0.05 0.43 0.11 -1.94 0.42 132.00 139.59 1ffy h PRO 664 Ca -0.18 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.88 1ffy h PRO 664 Cb 1.06 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1ffy h PRO 664 CO 0.70 0.29 -0.07 -0.44 -0.21 0.00 0.00 178.00 178.27 1ffy h ASP 665 N 0.45 0.07 0.00 -2.05 3.32 -1.97 -3.33 116.42 112.91 1ffy h ASP 665 Ca 0.50 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.54 1ffy h ASP 665 Cb 1.19 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1ffy h ASP 665 CO -0.22 0.15 0.00 0.35 -1.72 0.00 0.00 179.24 177.80 1ffy n THR 666 N -4.41 0.00 0.21 0.35 -2.24 -0.40 -4.87 114.28 102.91 1ffy n THR 666 Ca -0.02 -0.17 0.02 0.00 -2.27 0.00 0.00 64.05 61.61 1ffy n THR 666 Cb 0.17 1.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 1ffy n THR 666 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ffy n ASP 667 N -0.14 0.90 -4.77 3.42 8.00 0.13 -5.02 116.55 119.07 1ffy n ASP 667 Ca 0.00 -0.95 -0.40 0.00 0.71 0.00 0.00 54.79 54.15 1ffy n ASP 667 Cb 0.10 0.43 -0.01 0.00 -0.02 0.00 0.00 41.12 41.61 1ffy n ASP 667 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1ffy s SER 668 N -0.84 6.55 -0.07 -2.24 1.04 -1.25 -4.87 113.70 112.02 1ffy s SER 668 Ca 0.04 2.66 -0.14 0.00 0.48 0.00 0.00 55.95 58.99 1ffy s SER 668 Cb 0.04 -2.64 -0.05 0.00 0.10 0.00 0.00 66.02 63.46 1ffy s SER 668 CO 0.11 -0.68 0.36 -0.63 0.98 0.00 0.00 173.24 173.38 1ffy s ILE 669 N -1.21 5.17 0.51 -1.02 -1.09 -1.26 -5.06 121.20 117.25 1ffy s ILE 669 Ca 0.53 0.72 -0.23 0.00 -2.23 0.00 0.00 60.65 59.44 1ffy s ILE 669 Cb -0.39 -3.68 -0.06 0.00 -1.58 0.00 0.00 42.46 36.75 1ffy s ILE 669 CO 0.51 0.49 1.39 -2.84 -1.23 0.00 0.00 174.94 173.25 1ffy s PRO 670 N -0.37 3.32 0.26 2.79 0.02 -1.26 -4.81 135.00 134.95 1ffy s PRO 670 Ca 0.21 2.31 -0.02 0.00 0.02 0.00 0.00 61.00 63.52 1ffy s PRO 670 Cb -0.15 -2.39 0.53 0.00 0.02 0.00 0.00 34.50 32.50 1ffy s PRO 670 CO 0.09 -1.07 1.74 1.49 -0.33 0.00 0.00 177.00 178.93 1ffy h GLU 671 N 1.75 0.52 0.00 5.54 4.81 -1.98 0.24 114.58 125.46 1ffy h GLU 671 Ca -0.51 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1ffy h GLU 671 Cb 1.29 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1ffy h GLU 671 CO 0.59 0.34 0.00 0.66 -0.73 0.00 0.00 179.01 179.87 1ffy h SER 672 N 0.53 0.00 -0.13 1.04 4.64 -2.02 -2.61 113.55 115.01 1ffy h SER 672 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1ffy h SER 672 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1ffy h SER 672 CO -0.40 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 174.94 1ffy n GLU 673 N -2.32 1.49 -1.97 4.77 1.02 0.80 -5.00 120.64 119.43 1ffy n GLU 673 Ca 0.00 -1.59 -0.34 0.00 -0.02 0.00 0.00 57.16 55.21 1ffy n GLU 673 Cb 0.15 -1.30 0.03 0.00 -0.02 0.00 0.00 31.44 30.29 1ffy n GLU 673 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ffy s LEU 674 N -1.18 3.55 0.57 -4.62 1.43 -0.98 -4.91 118.68 112.54 1ffy s LEU 674 Ca 0.21 2.10 -0.19 0.00 -1.03 0.00 0.00 54.13 55.21 1ffy s LEU 674 Cb 0.13 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.74 1ffy s LEU 674 CO 0.19 -1.47 1.18 -0.76 0.23 0.00 0.00 176.35 175.71 1ffy s LEU 675 N -4.39 3.70 0.34 1.79 1.43 -1.26 -4.81 118.68 115.47 1ffy s LEU 675 Ca 0.70 2.30 0.05 0.00 -1.03 0.00 0.00 54.13 56.16 1ffy s LEU 675 Cb -0.23 -4.59 0.70 0.00 0.03 0.00 0.00 46.19 42.11 1ffy s LEU 675 CO 0.35 -1.45 1.89 -0.08 0.23 0.00 0.00 176.35 177.30 1ffy h GLU 676 N 1.00 0.80 -0.42 1.70 4.81 -1.97 -1.21 114.58 119.30 1ffy h GLU 676 Ca -0.50 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 58.64 1ffy h GLU 676 Cb 1.28 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1ffy h GLU 676 CO 0.56 0.53 0.10 -0.24 -0.73 0.00 0.00 179.01 179.22 1ffy h VAL 677 N 0.82 1.19 -0.35 0.32 3.04 -1.98 0.40 116.25 119.70 1ffy h VAL 677 Ca 0.41 -0.67 -0.16 0.00 -1.01 0.00 0.00 66.70 65.27 1ffy h VAL 677 Cb 0.47 0.77 -0.01 0.00 -2.01 0.00 0.00 31.29 30.51 1ffy h VAL 677 CO -0.18 0.24 -0.42 0.44 -1.01 0.00 0.00 177.57 176.65 1ffy h ASP 678 N 0.60 0.94 0.28 3.17 3.32 -1.61 -2.36 116.42 120.77 1ffy h ASP 678 Ca 0.14 -0.45 -0.07 0.00 0.02 0.00 0.00 57.03 56.67 1ffy h ASP 678 Cb 0.23 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1ffy h ASP 678 CO -0.00 1.23 -0.33 -0.09 -1.72 0.00 0.00 179.24 178.33 1ffy h ARG 679 N 0.71 0.07 -0.04 3.56 2.43 -0.60 -0.58 114.38 119.91 1ffy h ARG 679 Ca 0.05 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1ffy h ARG 679 Cb 1.01 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1ffy h ARG 679 CO 0.10 0.39 0.01 -0.92 -1.51 0.00 0.00 179.97 178.03 1ffy h TYR 680 N 0.06 0.08 -0.35 2.20 3.20 -0.67 -2.09 116.97 119.39 1ffy h TYR 680 Ca 0.01 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 1ffy h TYR 680 Cb 0.61 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 1ffy h TYR 680 CO 0.00 0.32 0.00 -0.07 -1.64 0.00 0.00 178.16 176.77 1ffy h LEU 681 N -0.19 0.51 -1.35 2.82 4.07 -1.11 -0.26 115.31 119.81 1ffy h LEU 681 Ca 0.01 -0.10 0.03 0.00 0.08 0.00 0.00 57.88 57.91 1ffy h LEU 681 Cb 0.28 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 41.85 1ffy h LEU 681 CO 0.00 0.58 0.46 0.25 -1.08 0.00 0.00 178.44 178.66 1ffy h LEU 682 N 0.53 0.73 -0.21 1.67 5.85 -0.92 0.11 115.31 123.06 1ffy h LEU 682 Ca 0.11 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.71 1ffy h LEU 682 Cb 0.34 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1ffy h LEU 682 CO 0.01 0.50 -0.56 0.78 -0.34 0.00 0.00 178.44 178.83 1ffy h ASN 683 N 0.85 0.00 0.43 1.25 2.35 -0.45 -1.52 115.58 118.48 1ffy h ASN 683 Ca 0.28 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.89 1ffy h ASN 683 Cb 0.06 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1ffy h ASN 683 CO -0.08 0.56 -0.60 0.03 -1.65 0.00 0.00 177.43 175.69 1ffy h ARG 684 N 0.00 0.17 -0.50 0.81 2.47 -0.00 -0.96 114.38 116.37 1ffy h ARG 684 Ca -0.01 -0.12 -0.08 0.00 -1.26 0.00 0.00 59.98 58.52 1ffy h ARG 684 Cb 1.34 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.66 1ffy h ARG 684 CO 0.07 0.72 0.01 1.25 0.56 0.00 0.00 179.97 182.59 1ffy h LEU 685 N 0.13 0.85 -0.57 3.04 5.85 -0.54 -0.34 115.31 123.74 1ffy h LEU 685 Ca -0.01 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.34 1ffy h LEU 685 Cb 1.09 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1ffy h LEU 685 CO 0.09 0.95 0.07 0.03 -0.34 0.00 0.00 178.44 179.23 1ffy h ARG 686 N 0.74 0.96 -0.44 1.25 3.08 -1.01 0.43 114.38 119.38 1ffy h ARG 686 Ca 0.14 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 1ffy h ARG 686 Cb 0.50 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1ffy h ARG 686 CO 0.02 0.93 0.18 1.49 -1.07 0.00 0.00 179.97 181.52 1ffy h GLU 687 N 0.85 0.66 -0.47 0.04 4.81 -1.00 0.39 114.58 119.85 1ffy h GLU 687 Ca 0.17 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 1ffy h GLU 687 Cb 0.45 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1ffy h GLU 687 CO 0.02 0.60 -0.07 0.35 -0.73 0.00 0.00 179.01 179.17 1ffy h PHE 688 N 0.57 0.91 0.07 0.92 3.57 -0.89 -1.74 116.94 120.35 1ffy h PHE 688 Ca 0.15 -0.16 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1ffy h PHE 688 Cb 0.18 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.69 1ffy h PHE 688 CO 0.00 0.87 -0.03 1.15 -2.23 0.00 0.00 178.31 178.06 1ffy h THR 689 N 0.76 1.12 -0.37 4.41 2.02 -0.61 -1.37 112.91 118.87 1ffy h THR 689 Ca 0.13 -0.69 0.07 0.00 0.77 0.00 0.00 66.41 66.70 1ffy h THR 689 Cb 0.56 1.56 -0.07 0.00 -1.74 0.00 0.00 68.15 68.47 1ffy h THR 689 CO 0.03 0.17 -0.06 0.00 0.37 0.00 0.00 175.52 176.03 1ffy h ALA 690 N 0.49 0.28 -0.48 6.16 0.00 -0.81 -1.57 119.26 123.34 1ffy h ALA 690 Ca -0.01 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1ffy h ALA 690 Cb 0.35 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1ffy h ALA 690 CO 0.02 -0.44 0.27 1.03 0.00 0.00 0.00 179.25 180.13 1ffy h SER 691 N 0.04 0.43 -0.56 0.00 0.87 -1.28 -2.19 113.55 110.85 1ffy h SER 691 Ca 0.18 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.70 1ffy h SER 691 Cb 0.27 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 1ffy h SER 691 CO -0.36 0.30 0.14 0.74 -0.53 0.00 0.00 176.83 177.12 1ffy h THR 692 N 0.54 1.25 -0.67 2.23 2.02 -0.61 -1.09 112.91 116.58 1ffy h THR 692 Ca 0.20 -0.89 -0.04 0.00 0.77 0.00 0.00 66.41 66.45 1ffy h THR 692 Cb 0.05 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 1ffy h THR 692 CO -0.11 0.33 0.25 0.40 0.37 0.00 0.00 175.52 176.76 1ffy h ILE 693 N 0.80 1.25 -0.59 3.11 2.04 -1.19 -0.08 117.51 122.85 1ffy h ILE 693 Ca 0.18 -0.80 0.02 0.00 1.00 0.00 0.00 64.86 65.26 1ffy h ILE 693 Cb 0.35 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 1ffy h ILE 693 CO 0.00 0.31 0.37 -1.13 0.00 0.00 0.00 178.15 177.70 1ffy h ASN 694 N 0.96 0.61 -0.78 1.72 -1.24 -1.11 0.16 115.58 115.90 1ffy h ASN 694 Ca 0.22 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.22 1ffy h ASN 694 Cb 0.24 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 39.12 1ffy h ASN 694 CO -0.01 0.43 0.47 0.78 -1.29 0.00 0.00 177.43 177.80 1ffy h ASN 695 N 0.73 0.94 -0.69 1.15 2.35 -0.52 -1.67 115.58 117.88 1ffy h ASN 695 Ca 0.23 -0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.87 1ffy h ASN 695 Cb -0.01 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.10 1ffy h ASN 695 CO -0.09 0.73 0.26 1.88 -1.65 0.00 0.00 177.43 178.57 1ffy h TYR 696 N 1.07 1.06 0.00 1.19 0.99 -0.33 0.18 116.97 121.13 1ffy h TYR 696 Ca 0.28 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.92 1ffy h TYR 696 Cb -0.03 -0.32 -0.00 0.00 1.00 0.00 0.00 36.73 37.38 1ffy h TYR 696 CO -0.01 0.83 -0.03 0.93 -0.00 0.00 0.00 178.16 179.89 1ffy h GLU 697 N 0.99 0.00 -0.57 4.88 4.39 0.15 -2.43 114.58 121.99 1ffy h GLU 697 Ca 0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1ffy h GLU 697 Cb 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1ffy h GLU 697 CO -0.02 0.03 0.00 0.09 -1.16 0.00 0.00 179.01 177.95 1ffy n ASN 698 N -4.17 3.52 -2.22 1.42 3.02 -0.71 -4.96 115.26 111.17 1ffy n ASN 698 Ca -0.03 -1.99 -0.21 0.00 -0.03 0.00 0.00 54.58 52.32 1ffy n ASN 698 Cb 0.12 -0.38 -0.02 0.00 -0.61 0.00 0.00 39.78 38.88 1ffy n ASN 698 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1ffy n PHE 699 N 1.19 -0.80 -3.26 3.10 3.01 -0.56 -4.91 117.46 115.23 1ffy n PHE 699 Ca 0.19 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 58.21 1ffy n PHE 699 Cb 0.54 -3.86 0.00 0.00 -0.01 0.00 0.00 39.48 36.15 1ffy n PHE 699 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1ffy n ASP 700 N -1.84 5.67 0.15 4.37 8.00 -0.06 -4.81 116.55 128.03 1ffy n ASP 700 Ca -0.24 -3.10 0.02 0.00 0.71 0.00 0.00 54.79 52.18 1ffy n ASP 700 Cb 0.69 -1.37 0.17 0.00 -0.02 0.00 0.00 41.12 40.59 1ffy n ASP 700 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1ffy h TYR 701 N 6.45 0.00 -0.70 1.24 -1.99 -1.83 -3.11 116.97 117.03 1ffy h TYR 701 Ca 0.19 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.86 1ffy h TYR 701 Cb 0.83 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.53 1ffy h TYR 701 CO 0.81 0.52 0.20 1.25 -0.00 0.00 0.00 178.16 180.94 1ffy h LEU 702 N 0.00 1.02 -1.62 3.88 5.85 -1.69 -1.39 115.31 121.36 1ffy h LEU 702 Ca -0.01 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 1ffy h LEU 702 Cb 1.17 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1ffy h LEU 702 CO 0.07 0.96 -0.10 0.78 -0.34 0.00 0.00 178.44 179.81 1ffy h ASN 703 N 1.04 0.10 0.01 1.25 4.21 -1.82 -1.69 115.58 118.68 1ffy h ASN 703 Ca 0.22 -0.01 -0.24 0.00 1.21 0.00 0.00 56.30 57.48 1ffy h ASN 703 Cb 0.32 -0.03 0.01 0.00 -1.12 0.00 0.00 38.32 37.51 1ffy h ASN 703 CO -0.00 0.22 -0.90 0.40 -1.29 0.00 0.00 177.43 175.86 1ffy h ILE 704 N 0.11 1.30 -0.81 2.81 2.04 -1.36 -1.06 117.51 120.54 1ffy h ILE 704 Ca 0.02 -2.16 0.01 0.00 1.00 0.00 0.00 64.86 63.73 1ffy h ILE 704 Cb 0.26 2.21 -0.04 0.00 -0.74 0.00 0.00 36.82 38.51 1ffy h ILE 704 CO 0.02 0.67 0.54 0.22 0.00 0.00 0.00 178.15 179.59 1ffy h TYR 705 N 0.42 1.02 -0.20 1.37 3.20 -0.81 0.29 116.97 122.27 1ffy h TYR 705 Ca -0.09 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.72 1ffy h TYR 705 Cb 1.54 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 39.46 1ffy h TYR 705 CO 0.09 0.64 -0.22 1.96 -1.64 0.00 0.00 178.16 178.98 1ffy h GLN 706 N 1.10 0.51 -0.24 1.82 1.08 -1.27 -2.99 115.11 115.11 1ffy h GLN 706 Ca 0.30 -0.28 -0.13 0.00 -1.45 0.00 0.00 58.65 57.10 1ffy h GLN 706 Cb -0.12 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.32 1ffy h GLN 706 CO -0.07 0.86 -0.34 0.93 -0.95 0.00 0.00 178.83 179.26 1ffy h GLU 707 N 0.18 0.66 -0.62 1.46 5.08 -0.94 -2.70 114.58 117.70 1ffy h GLU 707 Ca 0.03 -0.38 0.09 0.00 -1.00 0.00 0.00 59.36 58.09 1ffy h GLU 707 Cb 0.78 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.99 1ffy h GLU 707 CO 0.05 1.00 0.26 0.28 -1.00 0.00 0.00 179.01 179.60 1ffy h VAL 708 N 0.37 0.82 -0.04 3.13 2.07 -0.49 0.14 116.25 122.25 1ffy h VAL 708 Ca 0.03 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1ffy h VAL 708 Cb 0.92 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1ffy h VAL 708 CO 0.08 0.09 0.02 1.56 0.02 0.00 0.00 177.57 179.34 1ffy h GLN 709 N 0.47 0.05 -0.59 1.57 4.20 -1.49 0.59 115.11 119.90 1ffy h GLN 709 Ca 0.30 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.99 1ffy h GLN 709 Cb 0.34 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 1ffy h GLN 709 CO -0.27 0.10 0.31 -0.91 -0.67 0.00 0.00 178.83 177.38 1ffy h ASN 710 N -0.01 0.73 -0.04 1.46 2.35 -1.08 0.18 115.58 119.17 1ffy h ASN 710 Ca 0.01 -0.06 -0.20 0.00 -0.55 0.00 0.00 56.30 55.50 1ffy h ASN 710 Cb 0.06 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.25 1ffy h ASN 710 CO -0.00 0.61 -0.72 0.15 -1.65 0.00 0.00 177.43 175.82 1ffy h PHE 711 N 0.83 0.90 -0.12 1.19 3.57 -0.41 -1.68 116.94 121.22 1ffy h PHE 711 Ca 0.21 -0.38 -0.20 0.00 3.53 0.00 0.00 57.97 61.13 1ffy h PHE 711 Cb 0.05 -0.15 0.01 0.00 2.79 0.00 0.00 35.95 38.66 1ffy h PHE 711 CO 0.01 1.18 -0.72 0.82 -2.23 0.00 0.00 178.31 177.37 1ffy h ILE 712 N 0.47 1.31 0.18 1.41 2.04 -0.54 -2.51 117.51 119.88 1ffy h ILE 712 Ca -0.03 -1.96 -0.01 0.00 1.00 0.00 0.00 64.86 63.86 1ffy h ILE 712 Cb 1.32 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 39.51 1ffy h ILE 712 CO 0.14 0.61 -0.09 0.78 0.00 0.00 0.00 178.15 179.59 1ffy h ASN 713 N 0.39 -0.21 0.18 1.72 2.35 -0.73 -1.01 115.58 118.27 1ffy h ASN 713 Ca -0.06 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.48 1ffy h ASN 713 Cb 1.36 0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.79 1ffy h ASN 713 CO 0.15 0.33 -0.09 0.58 -1.65 0.00 0.00 177.43 176.75 1ffy h VAL 714 N -1.00 0.00 0.18 2.81 2.07 -1.47 0.31 116.25 119.15 1ffy h VAL 714 Ca -0.03 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1ffy h VAL 714 Cb 0.40 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1ffy h VAL 714 CO 0.04 0.00 -0.09 -0.33 0.02 0.00 0.00 177.57 177.22 1ffy h GLU 715 N -0.94 -0.23 0.00 1.57 4.39 -1.59 -3.04 114.58 114.74 1ffy h GLU 715 Ca -0.02 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1ffy h GLU 715 Cb 0.19 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1ffy h GLU 715 CO 0.04 0.01 0.00 1.28 -1.16 0.00 0.00 179.01 179.18 1ffy n LEU 716 N -5.10 2.85 0.13 1.33 4.77 -0.95 -1.09 117.00 118.93 1ffy n LEU 716 Ca -0.09 0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.78 1ffy n LEU 716 Cb 0.19 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.19 1ffy n LEU 716 CO 0.33 -0.02 0.51 -1.28 -1.33 0.00 0.00 177.39 175.60 1ffy h SER 717 N 0.00 -1.16 -0.53 -1.43 0.87 -1.25 0.19 113.55 110.23 1ffy h SER 717 Ca 0.00 0.11 0.08 0.00 -1.23 0.00 0.00 61.79 60.75 1ffy h SER 717 Cb 0.00 0.42 -0.06 0.00 -0.44 0.00 0.00 62.40 62.31 1ffy h SER 717 CO 0.00 -0.45 0.19 0.78 -0.53 0.00 0.00 176.83 176.82 1ffy h ASN 718 N -0.64 0.19 0.00 6.23 4.21 -1.06 -3.26 115.58 121.25 1ffy h ASN 718 Ca -0.02 0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.56 1ffy h ASN 718 Cb 0.61 0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.86 1ffy h ASN 718 CO -0.16 0.13 0.00 0.33 -1.29 0.00 0.00 177.43 176.44 1ffy n PHE 719 N -5.00 0.00 -0.04 1.19 7.35 -1.15 -4.57 117.46 115.24 1ffy n PHE 719 Ca 0.06 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.67 1ffy n PHE 719 Cb 0.22 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.03 1ffy n PHE 719 CO 0.00 0.00 0.00 -0.92 -0.76 0.00 0.00 176.76 175.08 1ffy h TYR 720 N 0.00 -0.40 -0.14 -5.13 3.20 -0.48 0.11 116.97 114.13 1ffy h TYR 720 Ca 0.00 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 1ffy h TYR 720 Cb 0.00 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 1ffy h TYR 720 CO 0.00 -0.23 -0.33 -0.07 -1.64 0.00 0.00 178.16 175.89 1ffy h LEU 721 N -0.16 0.29 0.48 2.82 3.38 -0.85 0.51 115.31 121.77 1ffy h LEU 721 Ca 0.13 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1ffy h LEU 721 Cb 0.35 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1ffy h LEU 721 CO -0.31 0.61 -0.23 -0.78 0.09 0.00 0.00 178.44 177.82 1ffy h ASP 722 N 0.25 -0.54 -1.02 -0.43 -0.00 -1.46 -3.13 116.42 110.08 1ffy h ASP 722 Ca 0.03 0.02 0.26 0.00 -0.00 0.00 0.00 57.03 57.34 1ffy h ASP 722 Cb 0.71 0.14 -0.11 0.00 -0.00 0.00 0.00 39.33 40.07 1ffy h ASP 722 CO 0.05 -0.20 0.63 0.22 -0.00 0.00 0.00 179.24 179.94 1ffy h TYR 723 N -1.01 0.88 0.00 0.28 3.20 -0.79 -0.06 116.97 119.47 1ffy h TYR 723 Ca -0.07 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 1ffy h TYR 723 Cb 0.49 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.51 1ffy h TYR 723 CO 0.02 0.06 -0.01 0.78 -1.64 0.00 0.00 178.16 177.37 1ffy h GLY 724 N 0.51 0.00 0.82 1.82 0.00 -0.84 -3.01 103.07 102.37 1ffy h GLY 724 Ca 0.63 0.00 0.04 0.00 0.00 0.00 0.00 47.33 48.00 1ffy h GLY 724 CO -0.41 0.00 0.56 0.50 0.00 0.00 0.00 176.54 177.19 1ffy h LYS 725 N 0.00 1.03 0.00 4.80 1.57 -0.95 0.58 116.57 123.59 1ffy h LYS 725 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1ffy h LYS 725 Cb 0.11 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1ffy h LYS 725 CO 0.00 0.68 0.00 -3.47 -0.57 0.00 0.00 179.45 176.09 1ffy n ASP 726 N -4.56 0.00 -0.03 0.86 -0.08 -1.14 -1.60 116.55 110.00 1ffy n ASP 726 Ca 0.12 0.26 -0.07 0.00 -1.51 0.00 0.00 54.79 53.58 1ffy n ASP 726 Cb 0.12 -0.35 -0.02 0.00 2.34 0.00 0.00 41.12 43.21 1ffy n ASP 726 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1ffy n ILE 727 N -1.35 0.97 -0.32 5.18 5.41 0.41 -4.23 119.36 125.42 1ffy n ILE 727 Ca 0.04 0.08 0.01 0.00 1.00 0.00 0.00 62.75 63.88 1ffy n ILE 727 Cb 0.08 -1.77 0.19 0.00 -0.71 0.00 0.00 39.64 37.44 1ffy n ILE 727 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1ffy h LEU 728 N -0.38 0.99 0.04 1.39 3.38 0.01 -1.75 115.31 119.00 1ffy h LEU 728 Ca -0.14 -0.01 -0.28 0.00 0.09 0.00 0.00 57.88 57.54 1ffy h LEU 728 Cb 0.81 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1ffy h LEU 728 CO -0.08 0.68 -1.51 1.88 0.09 0.00 0.00 178.44 179.49 1ffy h TYR 729 N 1.15 0.17 0.05 1.13 0.05 -1.46 -3.41 116.97 114.65 1ffy h TYR 729 Ca 0.37 -0.13 -0.38 0.00 0.05 0.00 0.00 58.73 58.65 1ffy h TYR 729 Cb 0.03 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 37.72 1ffy h TYR 729 CO -0.00 1.17 -2.21 -0.89 -1.05 0.00 0.00 178.16 175.19 1ffy n ILE 730 N -3.27 1.62 -1.22 -2.88 2.08 -1.18 -2.12 119.36 112.39 1ffy n ILE 730 Ca -0.14 -0.55 -0.30 0.00 0.56 0.00 0.00 62.75 62.31 1ffy n ILE 730 Cb 1.02 -1.63 0.12 0.00 -0.75 0.00 0.00 39.64 38.40 1ffy n ILE 730 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1ffy s GLU 731 N -2.52 1.68 0.31 0.38 0.41 -0.67 -4.92 118.70 113.37 1ffy s GLU 731 Ca -0.30 0.98 -0.29 0.00 -0.41 0.00 0.00 54.97 54.95 1ffy s GLU 731 Cb 0.08 -1.84 -0.10 0.00 -1.78 0.00 0.00 34.13 30.48 1ffy s GLU 731 CO 0.66 -1.99 1.42 -0.65 -0.49 0.00 0.00 175.26 174.21 1ffy s GLN 732 N -4.92 4.24 0.26 1.61 -0.21 -1.26 -4.89 119.66 114.49 1ffy s GLN 732 Ca 0.62 2.37 -0.11 0.00 0.02 0.00 0.00 55.36 58.26 1ffy s GLN 732 Cb -0.18 -3.05 0.38 0.00 1.00 0.00 0.00 33.01 31.16 1ffy s GLN 732 CO 0.57 -0.39 1.57 -0.09 -2.12 0.00 0.00 175.29 174.82 1ffy h ARG 733 N 3.94 -0.01 -0.63 2.91 2.43 -1.94 0.23 114.38 121.31 1ffy h ARG 733 Ca -0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1ffy h ARG 733 Cb 1.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1ffy h ARG 733 CO 0.70 -0.00 0.00 -3.47 -1.51 0.00 0.00 179.97 175.69 1ffy n ASP 734 N -5.57 5.10 -4.77 -3.80 2.03 -1.26 -4.56 116.55 103.72 1ffy n ASP 734 Ca 0.13 -2.76 -0.34 0.00 0.52 0.00 0.00 54.79 52.34 1ffy n ASP 734 Cb 0.46 -0.65 0.02 0.00 -0.72 0.00 0.00 41.12 40.23 1ffy n ASP 734 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1ffy s SER 735 N -0.72 5.40 0.19 1.67 1.04 0.07 -4.83 113.70 116.52 1ffy s SER 735 Ca 0.48 2.11 -0.11 0.00 0.48 0.00 0.00 55.95 58.91 1ffy s SER 735 Cb 0.36 -2.57 0.16 0.00 0.10 0.00 0.00 66.02 64.07 1ffy s SER 735 CO 0.16 -1.44 1.82 -0.74 0.98 0.00 0.00 173.24 174.02 1ffy h HIS 736 N 0.65 0.67 -0.64 5.02 2.76 -1.93 -0.24 115.15 121.43 1ffy h HIS 736 Ca -0.49 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 57.67 1ffy h HIS 736 Cb 1.26 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.98 1ffy h HIS 736 CO 0.52 0.37 0.26 0.97 -1.30 0.00 0.00 177.93 178.75 1ffy h ILE 737 N 0.70 1.23 -0.22 6.26 2.10 -1.94 -0.80 117.51 124.85 1ffy h ILE 737 Ca 0.25 -0.73 -0.15 0.00 1.08 0.00 0.00 64.86 65.31 1ffy h ILE 737 Cb 0.06 0.51 0.00 0.00 -1.09 0.00 0.00 36.82 36.30 1ffy h ILE 737 CO -0.12 0.29 -0.45 -0.09 -1.08 0.00 0.00 178.15 176.69 1ffy h ARG 738 N 0.91 0.69 0.00 2.19 2.43 -1.78 -3.05 114.38 115.77 1ffy h ARG 738 Ca 0.22 -0.45 -0.04 0.00 -0.81 0.00 0.00 59.98 58.89 1ffy h ARG 738 Cb 0.20 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1ffy h ARG 738 CO -0.02 1.07 -0.19 0.00 -1.51 0.00 0.00 179.97 179.32 1ffy h ARG 739 N 0.40 0.00 -0.27 0.20 2.47 -0.93 -2.09 114.38 114.17 1ffy h ARG 739 Ca 0.00 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.60 1ffy h ARG 739 Cb 1.06 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.38 1ffy h ARG 739 CO 0.10 0.19 -0.31 1.03 0.56 0.00 0.00 179.97 181.54 1ffy h SER 740 N 0.00 0.73 -0.26 7.04 0.87 -1.06 -0.55 113.55 120.31 1ffy h SER 740 Ca -0.00 -0.49 -0.14 0.00 -1.23 0.00 0.00 61.79 59.93 1ffy h SER 740 Cb 0.53 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1ffy h SER 740 CO 0.02 1.07 -0.36 -0.03 -0.53 0.00 0.00 176.83 177.01 1ffy h MET 741 N 0.41 0.80 -0.67 2.24 1.85 -1.41 -2.95 114.93 115.20 1ffy h MET 741 Ca 0.04 -0.40 -0.06 0.00 -0.61 0.00 0.00 59.70 58.67 1ffy h MET 741 Cb 0.89 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.89 1ffy h MET 741 CO 0.07 1.03 0.17 1.96 -0.40 0.00 0.00 176.91 179.75 1ffy h GLN 742 N 0.66 1.06 -0.81 0.39 4.20 -1.33 0.27 115.11 119.56 1ffy h GLN 742 Ca 0.06 -0.25 0.10 0.00 0.06 0.00 0.00 58.65 58.62 1ffy h GLN 742 Cb 0.91 -0.14 -0.07 0.00 0.30 0.00 0.00 27.48 28.48 1ffy h GLN 742 CO 0.08 0.94 0.45 1.15 -0.67 0.00 0.00 178.83 180.78 1ffy h THR 743 N 0.99 0.89 0.19 -0.54 2.02 -0.93 0.43 112.91 115.95 1ffy h THR 743 Ca 0.21 -0.26 -0.32 0.00 0.77 0.00 0.00 66.41 66.82 1ffy h THR 743 Cb 0.35 0.07 0.03 0.00 -1.74 0.00 0.00 68.15 66.87 1ffy h THR 743 CO 0.00 0.14 -1.36 0.58 0.37 0.00 0.00 175.52 175.25 1ffy h VAL 744 N 0.75 1.30 -0.94 3.16 2.07 -1.33 -3.05 116.25 118.21 1ffy h VAL 744 Ca 0.39 -2.62 0.05 0.00 0.82 0.00 0.00 66.70 65.35 1ffy h VAL 744 Cb 0.38 2.88 -0.06 0.00 -1.52 0.00 0.00 31.29 32.97 1ffy h VAL 744 CO -0.26 0.79 0.60 -0.07 0.02 0.00 0.00 177.57 178.65 1ffy h LEU 745 N 0.20 0.98 0.04 2.57 3.38 0.20 -0.81 115.31 121.86 1ffy h LEU 745 Ca -0.22 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1ffy h LEU 745 Cb 2.04 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.59 1ffy h LEU 745 CO 0.26 0.64 -0.02 0.22 0.09 0.00 0.00 178.44 179.63 1ffy h TYR 746 N 1.13 -0.05 -0.47 1.13 3.20 -0.22 -1.15 116.97 120.54 1ffy h TYR 746 Ca 0.39 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.32 1ffy h TYR 746 Cb 0.10 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.34 1ffy h TYR 746 CO -0.01 0.17 0.19 0.37 -1.64 0.00 0.00 178.16 177.24 1ffy h GLN 747 N -0.27 0.36 -0.77 1.82 4.15 -1.33 0.15 115.11 119.21 1ffy h GLN 747 Ca -0.01 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 1ffy h GLN 747 Cb 0.25 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.82 1ffy h GLN 747 CO 0.01 0.24 0.46 0.97 -1.93 0.00 0.00 178.83 178.58 1ffy h ILE 748 N 0.38 1.22 0.53 2.39 2.10 -1.08 0.12 117.51 123.16 1ffy h ILE 748 Ca 0.22 -0.49 -0.02 0.00 1.08 0.00 0.00 64.86 65.65 1ffy h ILE 748 Cb 0.19 0.15 -0.01 0.00 -1.09 0.00 0.00 36.82 36.06 1ffy h ILE 748 CO -0.20 0.23 -0.38 0.25 -1.08 0.00 0.00 178.15 176.97 1ffy h LEU 749 N 1.06 -0.99 0.38 2.19 6.46 -0.19 0.66 115.31 124.88 1ffy h LEU 749 Ca 0.28 0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 58.09 1ffy h LEU 749 Cb -0.03 0.30 -0.03 0.00 -0.73 0.00 0.00 40.66 40.17 1ffy h LEU 749 CO -0.05 -0.55 -0.48 0.58 -0.62 0.00 0.00 178.44 177.32 1ffy h VAL 750 N -0.86 0.00 -0.26 1.05 2.07 -0.84 -1.03 116.25 116.37 1ffy h VAL 750 Ca -0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.51 1ffy h VAL 750 Cb 0.71 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 1ffy h VAL 750 CO 0.03 0.00 -0.11 0.44 0.02 0.00 0.00 177.57 177.96 1ffy h ASP 751 N -0.89 -0.36 -0.76 0.57 5.19 -0.78 -0.63 116.42 118.76 1ffy h ASP 751 Ca -0.05 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1ffy h ASP 751 Cb 0.79 0.21 -0.04 0.00 0.18 0.00 0.00 39.33 40.48 1ffy h ASP 751 CO -0.11 -0.14 0.49 -0.03 -3.12 0.00 0.00 179.24 176.33 1ffy h MET 752 N -0.06 1.01 -0.39 3.56 4.05 -0.77 0.47 114.93 122.80 1ffy h MET 752 Ca 0.14 -0.07 -0.13 0.00 -0.28 0.00 0.00 59.70 59.36 1ffy h MET 752 Cb 0.27 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 30.83 1ffy h MET 752 CO -0.31 0.68 -0.27 1.79 0.23 0.00 0.00 176.91 179.04 1ffy h THR 753 N 1.04 1.27 -0.49 -0.77 1.35 -0.46 -1.27 112.91 113.59 1ffy h THR 753 Ca 0.28 -1.41 -0.06 0.00 -0.55 0.00 0.00 66.41 64.67 1ffy h THR 753 Cb -0.10 1.26 -0.02 0.00 -1.73 0.00 0.00 68.15 67.57 1ffy h THR 753 CO -0.06 0.47 0.07 0.11 -0.25 0.00 0.00 175.52 175.86 1ffy h LYS 754 N 0.70 0.82 0.00 4.72 1.57 0.09 -0.50 116.57 123.97 1ffy h LYS 754 Ca 0.09 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1ffy h LYS 754 Cb 0.80 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 1ffy h LYS 754 CO 0.07 0.83 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.57 1ffy h LEU 755 N 0.69 0.00 0.00 2.94 3.38 0.12 -2.50 115.31 119.93 1ffy h LEU 755 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ffy h LEU 755 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1ffy h LEU 755 CO 0.01 0.14 -0.99 0.18 0.09 0.00 0.00 178.44 177.87 1ffy n LEU 756 N -3.88 0.62 -0.27 1.67 4.77 -0.50 -4.54 117.00 114.87 1ffy n LEU 756 Ca -0.02 0.04 0.09 0.00 -0.03 0.00 0.00 56.01 56.09 1ffy n LEU 756 Cb 0.23 -0.11 0.22 0.00 -2.33 0.00 0.00 43.42 41.44 1ffy n LEU 756 CO 0.32 0.01 0.92 0.00 -1.33 0.00 0.00 177.39 177.31 1ffy h ALA 757 N 2.49 1.05 -0.02 -1.18 0.00 -0.62 0.60 119.26 121.58 1ffy h ALA 757 Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1ffy h ALA 757 Cb 0.76 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1ffy h ALA 757 CO 0.00 -0.40 0.02 -1.35 0.00 0.00 0.00 179.25 177.52 1ffy h PRO 758 N 0.22 0.00 0.00 0.00 0.11 -1.80 -3.12 132.00 127.40 1ffy h PRO 758 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1ffy h PRO 758 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1ffy h PRO 758 CO -0.60 0.00 -0.57 -0.89 -0.21 0.00 0.00 178.00 175.73 1ffy n ILE 759 N -4.11 1.00 -2.53 4.15 5.41 -0.08 -4.45 119.36 118.75 1ffy n ILE 759 Ca -0.02 0.27 -0.43 0.00 1.00 0.00 0.00 62.75 63.57 1ffy n ILE 759 Cb 0.11 -2.09 0.00 0.00 -0.71 0.00 0.00 39.64 36.96 1ffy n ILE 759 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1ffy n LEU 760 N -3.84 6.26 -0.33 1.39 4.77 0.01 -4.77 117.00 120.49 1ffy n LEU 760 Ca -0.08 -4.62 0.00 0.00 -0.03 0.00 0.00 56.01 51.28 1ffy n LEU 760 Cb 0.30 -1.51 0.13 0.00 -2.33 0.00 0.00 43.42 40.01 1ffy n LEU 760 CO 0.12 1.22 1.22 -0.37 -1.33 0.00 0.00 177.39 178.25 1ffy h VAL 761 N 3.97 1.10 0.01 4.08 -1.51 -1.78 0.18 116.25 122.31 1ffy h VAL 761 Ca 0.37 -0.37 -0.04 0.00 -1.23 0.00 0.00 66.70 65.43 1ffy h VAL 761 Cb 0.69 -0.06 0.00 0.00 -2.13 0.00 0.00 31.29 29.80 1ffy h VAL 761 CO 1.51 0.19 -0.18 0.45 -1.23 0.00 0.00 177.57 178.31 1ffy h HIS 762 N 1.06 0.15 -0.33 5.19 3.86 -1.88 -3.08 115.15 120.13 1ffy h HIS 762 Ca 0.37 -0.09 -0.06 0.00 -1.16 0.00 0.00 60.37 59.42 1ffy h HIS 762 Cb 0.09 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 1ffy h HIS 762 CO -0.02 0.96 -0.07 1.15 0.86 0.00 0.00 177.93 180.81 1ffy h THR 763 N -0.70 1.22 -0.73 2.45 2.02 -1.96 -0.38 112.91 114.84 1ffy h THR 763 Ca -0.03 -0.94 -0.03 0.00 0.77 0.00 0.00 66.41 66.18 1ffy h THR 763 Cb 1.02 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 68.45 1ffy h THR 763 CO 0.03 0.32 0.32 0.00 0.37 0.00 0.00 175.52 176.56 1ffy h ALA 764 N 1.42 0.94 -0.23 6.16 0.00 -1.05 0.66 119.26 127.17 1ffy h ALA 764 Ca 0.10 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1ffy h ALA 764 Cb 0.44 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ffy h ALA 764 CO 0.02 0.54 -0.02 1.49 0.00 0.00 0.00 179.25 181.28 1ffy h GLU 765 N 1.03 0.42 -0.93 0.00 4.57 -1.32 -0.42 114.58 117.93 1ffy h GLU 765 Ca 0.25 -0.14 0.05 0.00 -1.18 0.00 0.00 59.36 58.34 1ffy h GLU 765 Cb 0.17 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.66 1ffy h GLU 765 CO -0.03 0.62 0.60 1.49 -1.18 0.00 0.00 179.01 180.51 1ffy h GLU 766 N 0.18 1.08 -0.32 1.92 4.81 -0.69 0.23 114.58 121.78 1ffy h GLU 766 Ca 0.06 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1ffy h GLU 766 Cb 0.44 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1ffy h GLU 766 CO 0.02 0.71 -0.14 0.28 -0.73 0.00 0.00 179.01 179.15 1ffy h VAL 767 N 1.11 1.29 -0.62 0.32 2.07 -0.75 -2.89 116.25 116.78 1ffy h VAL 767 Ca 0.39 -1.24 0.06 0.00 0.82 0.00 0.00 66.70 66.74 1ffy h VAL 767 Cb 0.10 1.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 1ffy h VAL 767 CO -0.15 0.40 0.32 -0.25 0.02 0.00 0.00 177.57 177.91 1ffy h TRP 768 N 0.43 0.59 0.00 1.57 2.91 -0.31 0.04 115.95 121.17 1ffy h TRP 768 Ca 0.07 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.12 1ffy h TRP 768 Cb 0.66 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 29.14 1ffy h TRP 768 CO 0.06 0.26 0.02 0.77 -1.03 0.00 0.00 178.44 178.52 1ffy h SER 769 N 0.59 0.00 -0.37 2.65 0.02 -0.38 -1.56 113.55 114.51 1ffy h SER 769 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1ffy h SER 769 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1ffy h SER 769 CO -0.20 0.00 0.00 1.41 -1.14 0.00 0.00 176.83 176.90 1ffy n HIS 770 N -3.01 0.55 -3.65 3.45 8.25 -0.05 -4.95 115.22 115.81 1ffy n HIS 770 Ca -0.03 -0.53 -0.37 0.00 -0.26 0.00 0.00 57.72 56.53 1ffy n HIS 770 Cb 0.08 -0.05 -0.11 0.00 1.12 0.00 0.00 29.99 31.04 1ffy n HIS 770 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1ffy s THR 771 N -1.15 5.17 0.47 1.59 2.01 -0.59 -5.02 115.64 118.12 1ffy s THR 771 Ca 0.27 0.12 -0.22 0.00 0.31 0.00 0.00 61.69 62.16 1ffy s THR 771 Cb 0.15 -3.44 -0.07 0.00 0.01 0.00 0.00 72.50 69.15 1ffy s THR 771 CO 0.16 0.30 1.15 -2.84 -0.69 0.00 0.00 174.62 172.70 1ffy s PRO 772 N 1.48 3.73 0.00 4.92 0.02 -1.26 -3.88 135.00 140.00 1ffy s PRO 772 Ca 0.07 1.72 0.00 0.00 0.02 0.00 0.00 61.00 62.80 1ffy s PRO 772 Cb -0.15 -2.34 0.00 0.00 0.02 0.00 0.00 34.50 32.03 1ffy s PRO 772 CO 0.08 -0.57 0.00 0.72 -0.33 0.00 0.00 177.00 176.90 1ffy n HIS 773 N -0.60 0.00 -2.05 6.54 8.25 -1.26 -4.95 115.22 121.14 1ffy n HIS 773 Ca 0.08 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.12 1ffy n HIS 773 Cb 0.49 -0.93 -0.02 0.00 1.12 0.00 0.00 29.99 30.65 1ffy n HIS 773 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1ffy s VAL 774 N -2.03 2.77 0.00 1.59 -7.23 -1.25 -4.96 120.40 109.29 1ffy s VAL 774 Ca 0.00 0.64 0.00 0.00 -1.81 0.00 0.00 61.98 60.81 1ffy s VAL 774 Cb 0.00 -3.41 0.00 0.00 0.56 0.00 0.00 36.38 33.53 1ffy s VAL 774 CO 0.00 0.10 0.61 0.29 -0.31 0.00 0.00 175.10 175.79 1ffy n LYS 775 N 2.46 0.00 -1.21 4.82 5.02 -1.26 -4.85 118.16 123.14 1ffy n LYS 775 Ca 0.07 0.16 -0.33 0.00 -2.02 0.00 0.00 58.31 56.19 1ffy n LYS 775 Cb 0.41 -1.11 0.11 0.00 -0.02 0.00 0.00 35.03 34.42 1ffy n LYS 775 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1ffy s GLU 776 N -1.45 1.86 -0.08 1.97 1.03 -1.26 -5.01 118.70 115.77 1ffy s GLU 776 Ca 0.00 1.61 -0.18 0.00 0.03 0.00 0.00 54.97 56.43 1ffy s GLU 776 Cb 0.00 -1.82 -0.05 0.00 -0.80 0.00 0.00 34.13 31.47 1ffy s GLU 776 CO 0.00 -2.02 0.48 -1.21 -1.33 0.00 0.00 175.26 171.18 1ffy s GLU 777 N -4.25 4.26 0.03 -4.83 2.02 -1.26 -4.82 118.70 109.84 1ffy s GLU 777 Ca 0.70 0.48 0.00 0.00 0.02 0.00 0.00 54.97 56.17 1ffy s GLU 777 Cb -0.25 -3.38 0.00 0.00 0.10 0.00 0.00 34.13 30.60 1ffy s GLU 777 CO 0.50 0.30 0.00 0.45 0.02 0.00 0.00 175.26 176.53 1ffy n SER 778 N 3.15 -3.54 -0.33 -0.19 2.88 -1.26 -4.54 113.62 109.79 1ffy n SER 778 Ca -0.08 0.33 0.08 0.00 -1.33 0.00 0.00 58.87 57.86 1ffy n SER 778 Cb 0.52 -1.89 0.28 0.00 -0.75 0.00 0.00 64.21 62.37 1ffy n SER 778 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1ffy h VAL 779 N 0.93 0.92 0.00 2.46 2.07 -1.87 -1.74 116.25 119.01 1ffy h VAL 779 Ca 0.00 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1ffy h VAL 779 Cb 0.00 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.69 1ffy h VAL 779 CO 0.00 0.17 0.00 1.41 0.02 0.00 0.00 177.57 179.17 1ffy n HIS 780 N -4.58 0.20 -0.78 1.57 8.25 -1.26 -0.98 115.22 117.64 1ffy n HIS 780 Ca 0.18 0.10 0.08 0.00 -0.26 0.00 0.00 57.72 57.82 1ffy n HIS 780 Cb 0.36 -0.66 0.20 0.00 1.12 0.00 0.00 29.99 31.01 1ffy n HIS 780 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ffy n LEU 781 N -1.71 3.31 -4.87 2.41 4.77 -0.65 -4.87 117.00 115.40 1ffy n LEU 781 Ca 0.00 -2.76 -0.22 0.00 -0.03 0.00 0.00 56.01 53.01 1ffy n LEU 781 Cb 0.04 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 1ffy n LEU 781 CO 0.05 0.68 -0.00 0.00 -1.33 0.00 0.00 177.39 176.78 1ffy s ALA 782 N -2.35 4.06 0.13 -1.18 0.00 -0.16 -4.98 121.76 117.29 1ffy s ALA 782 Ca 0.34 -1.86 0.03 0.00 0.00 0.00 0.00 51.96 50.47 1ffy s ALA 782 Cb 0.26 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 1ffy s ALA 782 CO 0.09 -0.26 0.17 -0.51 0.00 0.00 0.00 175.76 175.25 1ffy s ASP 783 N -4.13 5.83 0.53 0.00 1.01 -1.26 -4.67 116.67 113.98 1ffy s ASP 783 Ca 0.46 0.02 -0.22 0.00 0.71 0.00 0.00 52.55 53.52 1ffy s ASP 783 Cb -0.02 -1.63 -0.05 0.00 1.01 0.00 0.00 42.92 42.22 1ffy s ASP 783 CO 0.27 0.09 1.31 -0.04 0.21 0.00 0.00 175.17 177.02 1ffy s MET 784 N -2.94 3.25 0.50 8.23 -1.94 -0.79 -4.94 119.30 120.68 1ffy s MET 784 Ca 0.32 2.13 -0.23 0.00 -1.71 0.00 0.00 55.69 56.20 1ffy s MET 784 Cb -0.11 -2.27 -0.06 0.00 2.01 0.00 0.00 34.83 34.40 1ffy s MET 784 CO 0.25 -1.07 1.35 -1.25 -0.01 0.00 0.00 175.02 174.29 1ffy s PRO 785 N -2.88 3.39 0.41 2.03 0.04 -1.26 -4.94 135.00 131.78 1ffy s PRO 785 Ca 0.70 2.22 -0.24 0.00 0.04 0.00 0.00 61.00 63.72 1ffy s PRO 785 Cb -0.38 -2.40 -0.08 0.00 0.04 0.00 0.00 34.50 31.68 1ffy s PRO 785 CO 0.45 -0.99 1.12 0.15 0.04 0.00 0.00 177.00 177.77 1ffy s LYS 786 N -2.73 4.05 -0.18 4.56 -0.14 -1.26 -5.00 119.74 119.04 1ffy s LYS 786 Ca 0.67 1.70 -0.27 0.00 -1.36 0.00 0.00 55.97 56.72 1ffy s LYS 786 Cb -0.40 -2.58 -0.01 0.00 -1.68 0.00 0.00 37.83 33.16 1ffy s LYS 786 CO 0.48 -0.29 0.90 0.08 -0.76 0.00 0.00 175.35 175.77 1ffy s VAL 787 N -1.52 4.82 0.21 3.17 1.01 -1.26 -4.99 120.40 121.83 1ffy s VAL 787 Ca 0.58 1.77 0.11 0.00 0.00 0.00 0.00 61.98 64.44 1ffy s VAL 787 Cb -0.27 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 1ffy s VAL 787 CO 0.34 -0.03 -0.21 0.68 0.00 0.00 0.00 175.10 175.88 1ffy s VAL 788 N 2.40 2.22 0.31 2.92 -7.23 -1.26 -5.09 120.40 114.66 1ffy s VAL 788 Ca 0.41 -2.09 -0.29 0.00 -1.81 0.00 0.00 61.98 58.19 1ffy s VAL 788 Cb -0.16 -2.09 -0.10 0.00 0.56 0.00 0.00 36.38 34.59 1ffy s VAL 788 CO 0.12 -0.25 1.39 -1.61 -0.31 0.00 0.00 175.10 174.44 1ffy s GLU 789 N -2.93 4.27 0.31 4.82 2.02 -1.26 -4.85 118.70 121.09 1ffy s GLU 789 Ca 0.22 2.32 -0.03 0.00 0.02 0.00 0.00 54.97 57.49 1ffy s GLU 789 Cb -0.06 -3.06 -0.04 0.00 0.10 0.00 0.00 34.13 31.06 1ffy s GLU 789 CO 0.10 -0.34 0.56 0.14 0.02 0.00 0.00 175.26 175.73 1ffy s VAL 790 N -0.71 5.05 -0.71 2.63 -7.23 -1.26 -5.02 120.40 113.15 1ffy s VAL 790 Ca 0.54 -0.12 -0.22 0.00 -1.81 0.00 0.00 61.98 60.37 1ffy s VAL 790 Cb -0.42 -3.78 0.08 0.00 0.56 0.00 0.00 36.38 32.82 1ffy s VAL 790 CO 0.51 -0.41 0.99 -0.62 -0.31 0.00 0.00 175.10 175.26 1ffy s ASP 791 N -3.48 6.26 0.35 4.85 -1.08 -1.26 -4.89 116.67 117.42 1ffy s ASP 791 Ca 0.43 -1.21 0.05 0.00 -0.52 0.00 0.00 52.55 51.30 1ffy s ASP 791 Cb -0.10 -2.41 0.64 0.00 -1.46 0.00 0.00 42.92 39.58 1ffy s ASP 791 CO 0.33 -1.36 1.89 -0.61 0.52 0.00 0.00 175.17 175.93 1ffy h GLN 792 N 9.43 0.48 -0.43 4.34 5.75 -1.99 -2.51 115.11 130.17 1ffy h GLN 792 Ca -0.20 -0.10 -0.12 0.00 -0.15 0.00 0.00 58.65 58.08 1ffy h GLN 792 Cb 1.06 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.53 1ffy h GLN 792 CO 1.17 0.52 -0.22 0.00 -2.65 0.00 0.00 178.83 177.65 1ffy h ALA 793 N 1.53 0.80 -0.56 3.38 0.00 -1.99 -0.28 119.26 122.14 1ffy h ALA 793 Ca 0.10 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1ffy h ALA 793 Cb 0.32 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1ffy h ALA 793 CO 0.01 0.65 0.28 1.25 0.00 0.00 0.00 179.25 181.45 1ffy h LEU 794 N 0.76 0.72 0.01 0.00 5.85 -1.92 -1.06 115.31 119.67 1ffy h LEU 794 Ca 0.10 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1ffy h LEU 794 Cb 0.76 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1ffy h LEU 794 CO 0.06 0.64 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.73 1ffy h LEU 795 N 0.76 -0.01 -0.47 2.25 3.38 -1.12 -0.85 115.31 119.25 1ffy h LEU 795 Ca 0.19 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1ffy h LEU 795 Cb 0.09 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1ffy h LEU 795 CO -0.03 0.07 0.25 0.44 0.09 0.00 0.00 178.44 179.26 1ffy h ASP 796 N -0.08 0.36 -0.12 -0.43 3.32 -0.90 0.35 116.42 118.93 1ffy h ASP 796 Ca -0.00 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.11 1ffy h ASP 796 Cb 0.08 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 1ffy h ASP 796 CO 0.00 0.26 -0.13 0.50 -1.72 0.00 0.00 179.24 178.15 1ffy h LYS 797 N 0.49 -0.15 0.00 3.56 3.64 -0.98 -1.78 116.57 121.35 1ffy h LYS 797 Ca 0.20 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.52 1ffy h LYS 797 Cb 0.09 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1ffy h LYS 797 CO -0.13 -0.10 -0.34 -1.49 -2.27 0.00 0.00 179.45 175.11 1ffy h TRP 798 N -0.16 0.00 -0.90 1.91 4.06 -0.69 -1.43 115.95 118.75 1ffy h TRP 798 Ca 0.09 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.04 1ffy h TRP 798 Cb 0.28 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.40 1ffy h TRP 798 CO -0.24 0.34 0.57 0.00 -3.56 0.00 0.00 178.44 175.56 1ffy h ARG 799 N 0.00 1.20 -0.26 0.49 3.08 0.16 0.36 114.38 119.40 1ffy h ARG 799 Ca -0.00 -0.09 -0.11 0.00 0.07 0.00 0.00 59.98 59.85 1ffy h ARG 799 Cb 0.97 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.76 1ffy h ARG 799 CO 0.04 0.81 -0.26 1.15 -1.07 0.00 0.00 179.97 180.64 1ffy h THR 800 N 1.23 1.31 -0.90 2.04 2.02 -1.03 -2.01 112.91 115.56 1ffy h THR 800 Ca 0.33 -1.43 0.03 0.00 0.77 0.00 0.00 66.41 66.10 1ffy h THR 800 Cb -0.11 1.64 -0.05 0.00 -1.74 0.00 0.00 68.15 67.90 1ffy h THR 800 CO -0.07 0.45 0.59 0.15 0.37 0.00 0.00 175.52 177.02 1ffy h PHE 801 N 0.36 1.10 -0.59 3.16 3.57 -0.40 -0.90 116.94 123.24 1ffy h PHE 801 Ca 0.04 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 1ffy h PHE 801 Cb 0.83 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1ffy h PHE 801 CO 0.07 0.65 0.11 0.52 -2.23 0.00 0.00 178.31 177.44 1ffy h MET 802 N 1.15 0.97 0.00 1.11 2.86 -0.13 0.27 114.93 121.17 1ffy h MET 802 Ca 0.35 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.69 1ffy h MET 802 Cb -0.02 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 1ffy h MET 802 CO -0.10 0.91 -0.22 -0.91 1.06 0.00 0.00 176.91 177.65 1ffy h ASN 803 N 0.87 0.00 0.41 1.22 2.35 -0.71 -0.97 115.58 118.75 1ffy h ASN 803 Ca 0.18 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.72 1ffy h ASN 803 Cb 0.40 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 1ffy h ASN 803 CO 0.01 0.22 -0.90 0.25 -1.65 0.00 0.00 177.43 175.36 1ffy h LEU 804 N 0.00 0.44 -1.04 1.61 6.46 -0.40 -3.10 115.31 119.28 1ffy h LEU 804 Ca -0.00 -0.35 -0.03 0.00 -0.12 0.00 0.00 57.88 57.38 1ffy h LEU 804 Cb 0.48 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.25 1ffy h LEU 804 CO 0.03 1.14 0.29 -0.09 -0.62 0.00 0.00 178.44 179.19 1ffy h ARG 805 N 0.19 0.98 -0.66 1.25 2.43 0.77 -2.32 114.38 117.03 1ffy h ARG 805 Ca -0.06 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 58.93 1ffy h ARG 805 Cb 1.53 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.87 1ffy h ARG 805 CO 0.15 0.78 0.28 -0.44 -1.51 0.00 0.00 179.97 179.24 1ffy h ASP 806 N 0.97 0.87 -0.53 -3.80 3.32 -1.22 -0.74 116.42 115.29 1ffy h ASP 806 Ca 0.23 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.08 1ffy h ASP 806 Cb 0.15 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1ffy h ASP 806 CO -0.02 0.76 -0.02 0.44 -1.72 0.00 0.00 179.24 178.67 1ffy h ASP 807 N 0.94 0.93 0.22 6.45 3.32 -1.39 -1.09 116.42 125.81 1ffy h ASP 807 Ca 0.23 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1ffy h ASP 807 Cb 0.15 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1ffy h ASP 807 CO -0.02 1.02 -0.14 0.58 -1.72 0.00 0.00 179.24 178.95 1ffy h VAL 808 N 0.81 0.69 -0.78 -1.35 2.07 -1.02 0.76 116.25 117.44 1ffy h VAL 808 Ca 0.15 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.80 1ffy h VAL 808 Cb 0.56 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 1ffy h VAL 808 CO 0.03 0.00 0.51 0.78 0.02 0.00 0.00 177.57 178.92 1ffy h ASN 809 N -0.36 0.51 -0.46 0.57 -0.26 -1.02 0.81 115.58 115.37 1ffy h ASN 809 Ca -0.02 0.02 -0.09 0.00 -0.56 0.00 0.00 56.30 55.66 1ffy h ASN 809 Cb 0.31 -0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 37.47 1ffy h ASN 809 CO 0.01 0.28 -0.05 -0.09 -1.06 0.00 0.00 177.43 176.52 1ffy h ARG 810 N 0.55 0.85 -0.56 0.81 9.65 -0.41 0.18 114.38 125.45 1ffy h ARG 810 Ca 0.38 -0.30 -0.09 0.00 -1.10 0.00 0.00 59.98 58.87 1ffy h ARG 810 Cb 0.70 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.20 1ffy h ARG 810 CO -0.14 0.93 0.01 0.00 2.80 0.00 0.00 179.97 183.57 1ffy h ALA 811 N 0.90 0.76 -0.43 2.80 0.00 0.18 -2.16 119.26 121.30 1ffy h ALA 811 Ca 0.12 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1ffy h ALA 811 Cb 0.58 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1ffy h ALA 811 CO 0.03 0.58 -0.00 -0.07 0.00 0.00 0.00 179.25 179.79 1ffy h LEU 812 N 0.87 0.66 0.18 0.00 3.38 0.83 -2.38 115.31 118.85 1ffy h LEU 812 Ca 0.16 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1ffy h LEU 812 Cb 0.53 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1ffy h LEU 812 CO 0.03 0.73 -0.09 -0.33 0.09 0.00 0.00 178.44 178.87 1ffy h GLU 813 N 0.65 -0.24 -0.25 1.13 4.39 -0.27 0.79 114.58 120.80 1ffy h GLU 813 Ca 0.13 0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.91 1ffy h GLU 813 Cb 0.41 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.05 1ffy h GLU 813 CO 0.02 -0.07 -0.18 1.15 -1.16 0.00 0.00 179.01 178.77 1ffy h THR 814 N -0.36 0.49 -0.30 1.13 2.02 -1.28 0.17 112.91 114.78 1ffy h THR 814 Ca -0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1ffy h THR 814 Cb 0.28 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1ffy h THR 814 CO 0.04 0.00 0.13 0.00 0.37 0.00 0.00 175.52 176.06 1ffy h ALA 815 N 0.96 1.67 -0.08 6.16 0.00 -1.33 -1.87 119.26 124.76 1ffy h ALA 815 Ca 0.14 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1ffy h ALA 815 Cb 0.39 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ffy h ALA 815 CO -0.35 0.27 -0.59 -0.09 0.00 0.00 0.00 179.25 178.48 1ffy h ARG 816 N 0.41 0.28 0.00 0.00 2.43 0.10 -1.77 114.38 115.83 1ffy h ARG 816 Ca 0.11 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 1ffy h ARG 816 Cb 0.07 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1ffy h ARG 816 CO -0.01 0.79 -0.18 -0.91 -1.51 0.00 0.00 179.97 178.14 1ffy h ASN 817 N 0.21 0.00 -0.37 -3.80 2.35 0.04 -1.96 115.58 112.05 1ffy h ASN 817 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ffy h ASN 817 Cb 1.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.47 1ffy h ASN 817 CO 0.09 0.18 0.00 -0.62 -1.65 0.00 0.00 177.43 175.43 1ffy n GLU 818 N -3.47 2.11 -1.13 0.81 1.02 -0.96 -4.90 120.64 114.12 1ffy n GLU 818 Ca -0.01 -1.42 -0.08 0.00 -0.02 0.00 0.00 57.16 55.64 1ffy n GLU 818 Cb 0.35 -1.41 -0.03 0.00 -0.02 0.00 0.00 31.44 30.32 1ffy n GLU 818 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ffy n LYS 819 N 0.56 -1.74 0.14 3.49 4.76 -0.74 -4.76 118.16 119.86 1ffy n LYS 819 Ca 0.13 0.69 -0.01 0.00 -2.87 0.00 0.00 58.31 56.25 1ffy n LYS 819 Cb 0.40 -4.95 0.21 0.00 -1.84 0.00 0.00 35.03 28.85 1ffy n LYS 819 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1ffy h VAL 820 N 0.00 1.39 -4.05 -0.18 2.07 -1.57 -3.45 116.25 110.46 1ffy h VAL 820 Ca -0.15 -1.87 -0.12 0.00 0.82 0.00 0.00 66.70 65.38 1ffy h VAL 820 Cb 0.98 1.99 -0.16 0.00 -1.52 0.00 0.00 31.29 32.58 1ffy h VAL 820 CO 0.23 0.54 -0.60 -0.51 0.02 0.00 0.00 177.57 177.24 1ffy s ILE 821 N -3.80 0.18 0.00 4.57 2.07 -1.22 -4.52 121.20 118.48 1ffy s ILE 821 Ca -0.02 -1.46 0.00 0.00 -1.41 0.00 0.00 60.65 57.75 1ffy s ILE 821 Cb 0.13 -1.22 0.00 0.00 0.13 0.00 0.00 42.46 41.50 1ffy s ILE 821 CO 0.76 -0.81 0.00 0.61 -1.91 0.00 0.00 174.94 173.59 1ffy n GLY 822 N 0.39 0.54 3.76 1.50 0.00 -1.26 -4.42 105.19 105.70 1ffy n GLY 822 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 1ffy n GLY 822 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ffy s LYS 823 N 1.28 3.26 0.64 1.61 -2.85 -1.26 -4.87 119.74 117.55 1ffy s LYS 823 Ca 0.00 1.76 0.29 0.00 -1.00 0.00 0.00 55.97 57.02 1ffy s LYS 823 Cb 0.00 -2.06 1.59 0.00 -2.06 0.00 0.00 37.83 35.30 1ffy s LYS 823 CO 0.00 -0.95 1.93 0.66 0.10 0.00 0.00 175.35 177.08 1ffy h SER 824 N 1.24 0.00 0.52 0.03 4.64 -1.96 -1.43 113.55 116.59 1ffy h SER 824 Ca -0.50 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.80 1ffy h SER 824 Cb 1.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1ffy h SER 824 CO 0.57 0.00 -0.08 -0.07 -0.87 0.00 0.00 176.83 176.38 1ffy h LEU 825 N 0.00 0.00 -0.41 5.97 3.38 -1.87 -2.04 115.31 120.35 1ffy h LEU 825 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ffy h LEU 825 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1ffy h LEU 825 CO -0.00 0.08 0.00 -0.62 0.09 0.00 0.00 178.44 177.98 1ffy n GLU 826 N -3.37 1.26 -4.09 1.13 1.02 -0.54 -3.00 120.64 113.05 1ffy n GLU 826 Ca -0.01 -0.40 -0.28 0.00 -0.02 0.00 0.00 57.16 56.45 1ffy n GLU 826 Cb 0.24 -1.11 -0.06 0.00 -0.02 0.00 0.00 31.44 30.49 1ffy n GLU 826 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ffy s ALA 827 N -1.86 3.50 -0.14 0.62 0.00 -0.77 0.95 121.76 124.07 1ffy s ALA 827 Ca 0.09 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 50.89 1ffy s ALA 827 Cb 0.05 -1.32 0.02 0.00 0.00 0.00 0.00 23.12 21.86 1ffy s ALA 827 CO 0.06 0.58 -0.18 0.21 0.00 0.00 0.00 175.76 176.43 1ffy s LYS 828 N -2.84 2.68 -0.18 0.00 2.20 0.31 -1.79 119.74 120.13 1ffy s LYS 828 Ca 0.30 -0.72 -0.04 0.00 -0.36 0.00 0.00 55.97 55.14 1ffy s LYS 828 Cb -0.11 -2.27 -0.03 0.00 -1.51 0.00 0.00 37.83 33.92 1ffy s LYS 828 CO 0.22 -0.11 -0.01 0.08 -0.36 0.00 0.00 175.35 175.17 1ffy s VAL 829 N 1.08 3.93 -0.08 4.02 1.01 0.20 -2.55 120.40 128.01 1ffy s VAL 829 Ca -0.02 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.66 1ffy s VAL 829 Cb -0.14 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 1ffy s VAL 829 CO -0.06 0.46 -0.17 -0.89 0.00 0.00 0.00 175.10 174.43 1ffy s THR 830 N 0.73 2.73 0.03 3.92 2.01 -0.43 0.85 115.64 125.48 1ffy s THR 830 Ca -0.01 -0.82 -0.07 0.00 0.31 0.00 0.00 61.69 61.11 1ffy s THR 830 Cb -0.14 -2.07 -0.00 0.00 0.01 0.00 0.00 72.50 70.29 1ffy s THR 830 CO 0.02 0.56 0.13 -0.51 -0.69 0.00 0.00 174.62 174.14 1ffy s ILE 831 N -0.23 0.12 0.13 1.82 2.07 -0.50 -0.37 121.20 124.25 1ffy s ILE 831 Ca -0.00 -0.97 -0.18 0.00 -1.41 0.00 0.00 60.65 58.09 1ffy s ILE 831 Cb -0.13 -0.82 0.05 0.00 0.13 0.00 0.00 42.46 41.69 1ffy s ILE 831 CO 0.03 -0.53 0.46 0.00 -1.91 0.00 0.00 174.94 172.99 1ffy s ALA 832 N -2.38 -1.13 0.60 1.50 0.00 -0.46 -2.09 121.76 117.80 1ffy s ALA 832 Ca -0.07 0.12 -0.18 0.00 0.00 0.00 0.00 51.96 51.83 1ffy s ALA 832 Cb -0.02 0.74 -0.06 0.00 0.00 0.00 0.00 23.12 23.77 1ffy s ALA 832 CO -0.03 -0.68 0.72 0.43 0.00 0.00 0.00 175.76 176.20 1ffy n SER 833 N -0.25 -0.26 -4.28 0.00 7.64 -1.25 -0.95 113.62 114.27 1ffy n SER 833 Ca -0.16 0.75 -0.28 0.00 1.01 0.00 0.00 58.87 60.19 1ffy n SER 833 Cb 0.64 -1.27 -0.08 0.00 -1.01 0.00 0.00 64.21 62.49 1ffy n SER 833 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1ffy s ASN 834 N -1.24 3.24 0.27 6.43 3.84 0.16 -4.42 114.94 123.22 1ffy s ASN 834 Ca 0.72 -1.70 0.10 0.00 0.21 0.00 0.00 52.86 52.19 1ffy s ASN 834 Cb -0.42 0.57 0.33 0.00 -0.55 0.00 0.00 41.25 41.18 1ffy s ASN 834 CO 0.51 -0.94 1.60 0.44 -2.79 0.00 0.00 177.10 175.92 1ffy h ASP 835 N 1.62 0.00 1.12 -4.21 3.32 -1.95 -3.08 116.42 113.24 1ffy h ASP 835 Ca -0.37 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1ffy h ASP 835 Cb 1.29 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1ffy h ASP 835 CO 0.61 0.64 -0.39 0.11 -1.72 0.00 0.00 179.24 178.49 1ffy h LYS 836 N 0.00 0.00 -1.81 3.56 1.57 -1.88 -3.47 116.57 114.55 1ffy h LYS 836 Ca -0.01 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1ffy h LYS 836 Cb 1.12 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.20 1ffy h LYS 836 CO 0.08 0.00 0.21 0.12 -0.57 0.00 0.00 179.45 179.29 1ffy s PHE 837 N -3.15 -0.79 -1.42 -1.35 5.36 -1.17 -4.83 117.98 110.64 1ffy s PHE 837 Ca 0.08 1.68 -0.09 0.00 -0.96 0.00 0.00 56.93 57.64 1ffy s PHE 837 Cb 0.13 0.45 -0.07 0.00 -0.34 0.00 0.00 43.02 43.19 1ffy s PHE 837 CO 0.68 -0.39 2.92 -1.71 -1.46 0.00 0.00 175.22 175.26 1ffy n ASN 838 N 3.50 8.32 -0.29 6.13 2.85 -1.26 0.41 115.26 134.91 1ffy n ASN 838 Ca -0.17 -2.67 0.10 0.00 -0.11 0.00 0.00 54.58 51.73 1ffy n ASN 838 Cb 0.57 -1.51 0.24 0.00 1.24 0.00 0.00 39.78 40.33 1ffy n ASN 838 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ffy h ALA 839 N 4.72 1.09 -0.36 5.20 0.00 -1.82 -1.49 119.26 126.60 1ffy h ALA 839 Ca 0.78 0.24 0.06 0.00 0.00 0.00 0.00 54.91 55.99 1ffy h ALA 839 Cb 0.40 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1ffy h ALA 839 CO 1.59 -0.46 0.05 0.77 0.00 0.00 0.00 179.25 181.20 1ffy h SER 840 N 0.15 -0.04 -0.05 0.00 0.02 -1.85 0.95 113.55 112.74 1ffy h SER 840 Ca 0.51 0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 61.46 1ffy h SER 840 Cb 0.98 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1ffy h SER 840 CO -0.69 0.02 -0.20 -0.08 -1.14 0.00 0.00 176.83 174.74 1ffy h GLU 841 N 0.17 0.23 -0.04 3.45 4.81 -1.79 -3.25 114.58 118.16 1ffy h GLU 841 Ca 0.18 -0.17 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1ffy h GLU 841 Cb 0.22 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 1ffy h GLU 841 CO -0.25 0.81 -0.22 0.35 -0.73 0.00 0.00 179.01 178.97 1ffy h PHE 842 N -0.31 -0.59 0.00 0.92 3.57 -1.11 -1.43 116.94 117.99 1ffy h PHE 842 Ca -0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1ffy h PHE 842 Cb 0.84 0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.85 1ffy h PHE 842 CO 0.13 -0.31 0.00 1.28 -2.23 0.00 0.00 178.31 177.18 1ffy n LEU 843 N -5.35 0.00 0.22 0.59 4.77 0.31 -2.58 117.00 114.97 1ffy n LEU 843 Ca -0.04 0.30 0.09 0.00 -0.03 0.00 0.00 56.01 56.32 1ffy n LEU 843 Cb 0.26 -0.30 0.51 0.00 -2.33 0.00 0.00 43.42 41.57 1ffy n LEU 843 CO 0.22 -0.25 0.82 0.00 -1.33 0.00 0.00 177.39 176.85 1ffy h THR 844 N 0.00 0.72 -1.03 -5.08 1.03 -1.29 -3.17 112.91 104.09 1ffy h THR 844 Ca 0.00 -1.04 -0.68 0.00 -0.01 0.00 0.00 66.41 64.68 1ffy h THR 844 Cb 0.05 1.65 -0.29 0.00 -1.07 0.00 0.00 68.15 68.49 1ffy h THR 844 CO 0.00 0.24 0.84 -1.54 -0.01 0.00 0.00 175.52 175.05 1ffy n SER 845 N -3.59 7.63 -4.04 0.00 3.41 -1.06 -4.91 113.62 111.05 1ffy n SER 845 Ca -0.01 -3.79 -0.15 0.00 -0.26 0.00 0.00 58.87 54.66 1ffy n SER 845 Cb 0.38 -0.96 -0.13 0.00 -0.26 0.00 0.00 64.21 63.24 1ffy n SER 845 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1ffy s PHE 846 N -3.83 0.69 0.07 7.33 0.40 -1.20 -5.15 117.98 116.28 1ffy s PHE 846 Ca 0.64 -0.36 0.04 0.00 -0.60 0.00 0.00 56.93 56.65 1ffy s PHE 846 Cb 0.50 -0.42 -0.04 0.00 0.51 0.00 0.00 43.02 43.58 1ffy s PHE 846 CO -0.03 -0.04 0.00 -0.51 0.70 0.00 0.00 175.22 175.34 1ffy s ASP 847 N -1.11 5.04 -1.06 1.36 1.01 -1.26 -4.74 116.67 115.91 1ffy s ASP 847 Ca -0.05 -0.15 -0.17 0.00 0.71 0.00 0.00 52.55 52.89 1ffy s ASP 847 Cb -0.07 -1.22 -0.00 0.00 1.01 0.00 0.00 42.92 42.63 1ffy s ASP 847 CO 0.00 0.19 0.75 0.00 0.21 0.00 0.00 175.17 176.33 1ffy n ALA 848 N 0.71 -2.59 0.08 5.23 0.00 -1.26 -4.81 120.51 117.87 1ffy n ALA 848 Ca -0.11 -0.25 0.03 0.00 0.00 0.00 0.00 53.44 53.10 1ffy n ALA 848 Cb 0.52 -3.24 0.41 0.00 0.00 0.00 0.00 19.45 17.13 1ffy n ALA 848 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ffy h LEU 849 N -1.50 0.31 -1.09 0.00 3.38 -1.96 -1.79 115.31 112.67 1ffy h LEU 849 Ca -0.60 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.33 1ffy h LEU 849 Cb 1.33 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.96 1ffy h LEU 849 CO 0.45 0.36 0.51 1.12 0.09 0.00 0.00 178.44 180.98 1ffy h HIS 850 N 0.33 1.10 -0.11 1.13 2.07 -1.89 -1.02 115.15 116.76 1ffy h HIS 850 Ca 0.08 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.42 1ffy h HIS 850 Cb 0.22 -0.36 0.01 0.00 2.57 0.00 0.00 27.41 29.84 1ffy h HIS 850 CO 0.00 0.73 -0.64 1.96 -3.07 0.00 0.00 177.93 176.91 1ffy h GLN 851 N 1.16 0.64 -0.62 5.12 4.20 -1.63 0.17 115.11 124.15 1ffy h GLN 851 Ca 0.30 -0.53 0.08 0.00 0.06 0.00 0.00 58.65 58.56 1ffy h GLN 851 Cb -0.06 0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 1ffy h GLN 851 CO -0.06 1.15 0.41 -0.07 -0.67 0.00 0.00 178.83 179.59 1ffy h LEU 852 N 0.29 0.45 -1.59 1.46 3.38 -0.76 -1.17 115.31 117.36 1ffy h LEU 852 Ca -0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ffy h LEU 852 Cb 1.29 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1ffy h LEU 852 CO 0.13 0.28 -0.12 0.49 0.09 0.00 0.00 178.44 179.31 1ffy n PHE 853 N -4.48 0.00 -3.43 1.13 0.99 -0.44 -4.96 117.46 106.28 1ffy n PHE 853 Ca 0.10 0.00 -0.20 0.00 -0.00 0.00 0.00 57.45 57.34 1ffy n PHE 853 Cb 0.31 -0.00 0.07 0.00 -1.00 0.00 0.00 39.48 38.86 1ffy n PHE 853 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 1ffy n ILE 854 N 0.88 -2.59 -4.46 4.37 2.08 -0.44 -4.98 119.36 114.21 1ffy n ILE 854 Ca 0.13 -0.01 -0.23 0.00 0.56 0.00 0.00 62.75 63.21 1ffy n ILE 854 Cb 0.54 -3.64 -0.10 0.00 -0.75 0.00 0.00 39.64 35.69 1ffy n ILE 854 CO 0.00 0.00 0.00 0.68 0.56 0.00 0.00 176.55 177.79 1ffy s VAL 855 N -3.27 1.85 0.13 1.39 -7.23 0.54 -2.91 120.40 110.90 1ffy s VAL 855 Ca 0.49 -2.16 -0.12 0.00 -1.81 0.00 0.00 61.98 58.38 1ffy s VAL 855 Cb -0.22 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.18 1ffy s VAL 855 CO 0.62 -0.28 1.46 0.28 -0.31 0.00 0.00 175.10 176.86 1ffy h SER 856 N 2.21 0.97 -4.28 4.85 0.02 -1.25 -3.39 113.55 112.69 1ffy h SER 856 Ca -0.40 -0.47 -0.11 0.00 -0.84 0.00 0.00 61.79 59.96 1ffy h SER 856 Cb 1.24 -0.27 -0.22 0.00 0.14 0.00 0.00 62.40 63.28 1ffy h SER 856 CO 0.68 1.25 -0.19 0.00 -1.14 0.00 0.00 176.83 177.43 1ffy s GLN 857 N -4.37 0.60 -0.07 3.45 -2.07 -1.16 -4.85 119.66 111.19 1ffy s GLN 857 Ca -0.11 0.37 0.04 0.00 -1.82 0.00 0.00 55.36 53.84 1ffy s GLN 857 Cb 0.11 0.28 -0.00 0.00 -1.09 0.00 0.00 33.01 32.31 1ffy s GLN 857 CO 0.88 -0.12 -0.20 0.08 -1.32 0.00 0.00 175.29 174.60 1ffy s VAL 858 N -0.30 1.74 -0.18 3.63 1.01 -1.26 0.61 120.40 125.65 1ffy s VAL 858 Ca -0.05 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1ffy s VAL 858 Cb -0.03 -1.51 0.04 0.00 0.00 0.00 0.00 36.38 34.87 1ffy s VAL 858 CO 0.02 0.49 -0.11 -0.75 0.00 0.00 0.00 175.10 174.76 1ffy s LYS 859 N 0.22 2.04 -0.34 2.72 2.20 0.25 -4.92 119.74 121.91 1ffy s LYS 859 Ca -0.11 -0.71 -0.12 0.00 -0.36 0.00 0.00 55.97 54.67 1ffy s LYS 859 Cb -0.15 -2.26 -0.02 0.00 -1.51 0.00 0.00 37.83 33.90 1ffy s LYS 859 CO 0.05 -0.36 0.23 0.08 -0.36 0.00 0.00 175.35 174.99 1ffy s VAL 860 N 1.46 5.18 -0.19 4.02 1.01 -1.26 -1.41 120.40 129.21 1ffy s VAL 860 Ca 0.01 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 61.80 1ffy s VAL 860 Cb -0.15 -3.66 -0.16 0.00 0.00 0.00 0.00 36.38 32.41 1ffy s VAL 860 CO -0.09 -0.00 -0.10 0.55 0.00 0.00 0.00 175.10 175.46 1ffy n VAL 861 N 5.09 1.17 0.00 2.92 3.14 -0.89 -4.99 118.33 124.77 1ffy n VAL 861 Ca -0.13 -0.54 0.00 0.00 -2.96 0.00 0.00 64.34 60.71 1ffy n VAL 861 Cb 0.50 -1.01 0.00 0.00 -1.06 0.00 0.00 33.84 32.27 1ffy n VAL 861 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1ffy n ASP 862 N -2.93 0.00 -3.65 6.55 10.43 -1.26 -5.03 116.55 120.65 1ffy n ASP 862 Ca -0.33 0.00 -0.13 0.00 2.57 0.00 0.00 54.79 56.89 1ffy n ASP 862 Cb 0.94 0.00 -0.08 0.00 1.84 0.00 0.00 41.12 43.83 1ffy n ASP 862 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 1ffy s LYS 863 N 0.00 0.77 0.03 -1.24 2.20 -1.26 -3.80 119.74 116.44 1ffy s LYS 863 Ca 0.00 0.94 0.06 0.00 -0.36 0.00 0.00 55.97 56.61 1ffy s LYS 863 Cb 0.00 0.36 -0.02 0.00 -1.51 0.00 0.00 37.83 36.66 1ffy s LYS 863 CO 0.00 -0.10 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.22 1ffy s LEU 864 N 0.44 2.15 1.20 5.43 1.43 -1.26 -5.01 118.68 123.05 1ffy s LEU 864 Ca -0.01 -0.45 -0.20 0.00 -1.03 0.00 0.00 54.13 52.44 1ffy s LEU 864 Cb -0.05 -0.77 0.29 0.00 0.03 0.00 0.00 46.19 45.69 1ffy s LEU 864 CO -0.01 0.10 1.14 1.51 0.23 0.00 0.00 176.35 179.33 1ffy s ASP 865 N -1.04 1.00 -0.88 2.29 1.47 -1.26 -4.83 116.67 113.42 1ffy s ASP 865 Ca 0.04 0.53 -0.06 0.00 1.18 0.00 0.00 52.55 54.24 1ffy s ASP 865 Cb -0.08 -0.70 -0.08 0.00 -0.34 0.00 0.00 42.92 41.72 1ffy s ASP 865 CO 0.01 -4.07 2.36 -0.67 0.68 0.00 0.00 175.17 173.48 1ffy n ASP 866 N -4.71 5.39 0.00 2.11 -0.08 -1.26 -2.52 116.55 115.49 1ffy n ASP 866 Ca 0.14 -2.34 0.00 0.00 -1.51 0.00 0.00 54.79 51.09 1ffy n ASP 866 Cb 0.60 -1.15 0.00 0.00 2.34 0.00 0.00 41.12 42.90 1ffy n ASP 866 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1ffy n GLN 867 N 3.80 0.00 -2.23 -0.67 7.27 -1.26 -5.06 117.38 119.23 1ffy n GLN 867 Ca 0.48 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 57.14 1ffy n GLN 867 Cb 0.24 -0.62 -0.03 0.00 2.41 0.00 0.00 30.24 32.24 1ffy n GLN 867 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ffy s ALA 868 N -1.65 3.48 0.30 1.69 0.00 -1.05 -5.01 121.76 119.53 1ffy s ALA 868 Ca 0.00 1.14 -0.20 0.00 0.00 0.00 0.00 51.96 52.90 1ffy s ALA 868 Cb 0.00 -3.44 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 1ffy s ALA 868 CO 0.00 -0.50 0.80 0.95 0.00 0.00 0.00 175.76 177.01 1ffy s THR 869 N -0.86 4.51 0.08 0.00 -4.23 -1.13 -4.82 115.64 109.20 1ffy s THR 869 Ca 0.50 1.31 -0.18 0.00 -1.18 0.00 0.00 61.69 62.14 1ffy s THR 869 Cb -0.37 -3.78 -0.07 0.00 1.34 0.00 0.00 72.50 69.63 1ffy s THR 869 CO 0.47 0.01 0.54 0.00 -0.54 0.00 0.00 174.62 175.09 1ffy s ALA 870 N -1.77 3.60 0.18 3.99 0.00 -1.26 -1.57 121.76 124.93 1ffy s ALA 870 Ca 0.50 -0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.47 1ffy s ALA 870 Cb -0.14 -2.58 -0.05 0.00 0.00 0.00 0.00 23.12 20.36 1ffy s ALA 870 CO 0.19 0.42 -0.06 0.71 0.00 0.00 0.00 175.76 177.02 1ffy s TYR 871 N -1.18 1.38 0.61 0.00 1.51 0.89 -4.97 117.35 115.59 1ffy s TYR 871 Ca 0.30 -0.82 0.29 0.00 -1.01 0.00 0.00 57.07 55.83 1ffy s TYR 871 Cb -0.18 -0.74 1.51 0.00 -0.11 0.00 0.00 41.96 42.44 1ffy s TYR 871 CO 0.18 0.04 1.91 0.93 -1.11 0.00 0.00 175.55 177.50 1ffy h GLU 872 N 2.66 0.00 -0.07 -0.62 3.07 -1.97 -0.84 114.58 116.81 1ffy h GLU 872 Ca -0.37 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.47 1ffy h GLU 872 Cb 1.20 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.10 1ffy h GLU 872 CO 0.64 0.00 -0.20 0.72 -1.40 0.00 0.00 179.01 178.77 1ffy n HIS 873 N -3.53 0.23 0.00 4.33 8.25 -1.26 -4.25 115.22 118.98 1ffy n HIS 873 Ca 0.06 -1.25 0.00 0.00 -0.26 0.00 0.00 57.72 56.27 1ffy n HIS 873 Cb 0.58 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.45 1ffy n HIS 873 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ffy n GLY 874 N -1.19 1.67 3.81 -1.41 0.00 -0.32 -4.44 105.19 103.30 1ffy n GLY 874 Ca 0.20 -2.14 -0.38 0.00 0.00 0.00 0.00 46.02 43.69 1ffy n GLY 874 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ffy s ASP 875 N 0.00 6.92 -0.01 1.61 1.01 -0.13 -0.08 116.67 126.00 1ffy s ASP 875 Ca 0.00 1.09 0.04 0.00 0.71 0.00 0.00 52.55 54.39 1ffy s ASP 875 Cb 0.00 -2.31 -0.01 0.00 1.01 0.00 0.00 42.92 41.61 1ffy s ASP 875 CO 0.00 0.26 -0.13 -0.63 0.21 0.00 0.00 175.17 174.88 1ffy s ILE 876 N -0.90 1.05 -0.09 0.77 1.01 -0.61 -1.35 121.20 121.07 1ffy s ILE 876 Ca 0.27 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.34 1ffy s ILE 876 Cb -0.18 -0.88 0.02 0.00 0.01 0.00 0.00 42.46 41.43 1ffy s ILE 876 CO 0.16 0.27 -0.12 -0.69 0.00 0.00 0.00 174.94 174.56 1ffy s VAL 877 N -0.35 1.24 -0.04 2.92 1.01 0.50 -2.83 120.40 122.85 1ffy s VAL 877 Ca 0.05 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.58 1ffy s VAL 877 Cb -0.05 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 1ffy s VAL 877 CO -0.00 0.39 -0.18 -0.63 0.00 0.00 0.00 175.10 174.68 1ffy s ILE 878 N 1.03 2.75 0.16 2.22 -1.09 -1.26 -1.32 121.20 123.69 1ffy s ILE 878 Ca -0.07 -0.84 -0.15 0.00 -2.23 0.00 0.00 60.65 57.36 1ffy s ILE 878 Cb -0.15 -2.05 0.02 0.00 -1.58 0.00 0.00 42.46 38.70 1ffy s ILE 878 CO -0.01 0.59 0.42 -1.83 -1.23 0.00 0.00 174.94 172.87 1ffy s GLU 879 N -0.64 1.20 0.46 2.79 -1.05 -1.06 -5.01 118.70 115.40 1ffy s GLU 879 Ca 0.10 -0.88 -0.25 0.00 -0.15 0.00 0.00 54.97 53.79 1ffy s GLU 879 Cb -0.11 0.46 -0.08 0.00 -0.44 0.00 0.00 34.13 33.97 1ffy s GLU 879 CO 0.00 -0.48 1.38 -1.58 0.95 0.00 0.00 175.26 175.53 1ffy s HIS 880 N -3.87 2.51 0.81 4.83 5.65 -1.26 -0.53 115.29 123.44 1ffy s HIS 880 Ca 0.09 1.32 -0.11 0.00 0.25 0.00 0.00 55.06 56.61 1ffy s HIS 880 Cb 0.01 -3.83 0.08 0.00 -1.18 0.00 0.00 32.58 27.67 1ffy s HIS 880 CO -0.06 -2.71 1.12 0.00 -0.65 0.00 0.00 174.74 172.45 1ffy s ALA 881 N -1.25 1.98 0.37 1.58 0.00 0.27 -4.46 121.76 120.26 1ffy s ALA 881 Ca 0.62 0.43 -0.07 0.00 0.00 0.00 0.00 51.96 52.94 1ffy s ALA 881 Cb -0.41 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.30 1ffy s ALA 881 CO 0.52 -2.10 0.69 -0.51 0.00 0.00 0.00 175.76 174.36 1ffy s ASP 882 N -3.02 6.45 0.00 0.00 -0.00 -1.26 -4.95 116.67 113.89 1ffy s ASP 882 Ca 0.64 0.93 0.00 0.00 -0.00 0.00 0.00 52.55 54.13 1ffy s ASP 882 Cb -0.20 -2.24 0.00 0.00 -0.00 0.00 0.00 42.92 40.48 1ffy s ASP 882 CO 0.55 -0.35 0.00 0.61 -0.00 0.00 0.00 175.17 175.99 1ffy n GLY 883 N -1.31 -1.08 3.48 0.21 0.00 -1.26 -3.81 105.19 101.42 1ffy n GLY 883 Ca 0.00 -1.56 -0.23 0.00 0.00 0.00 0.00 46.02 44.23 1ffy n GLY 883 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ffy s GLU 884 N 0.00 1.67 -0.09 1.61 2.02 0.21 -4.78 118.70 119.35 1ffy s GLU 884 Ca 0.00 -1.85 -0.30 0.00 0.02 0.00 0.00 54.97 52.84 1ffy s GLU 884 Cb 0.00 -1.41 -0.02 0.00 0.10 0.00 0.00 34.13 32.79 1ffy s GLU 884 CO 0.00 0.09 1.15 0.21 0.02 0.00 0.00 175.26 176.73 1ffy s LYS 885 N -3.67 4.35 -0.15 1.61 2.20 -1.26 0.17 119.74 122.98 1ffy s LYS 885 Ca 0.31 1.59 -0.29 0.00 -0.36 0.00 0.00 55.97 57.21 1ffy s LYS 885 Cb 0.03 -3.58 -0.01 0.00 -1.51 0.00 0.00 37.83 32.75 1ffy s LYS 885 CO 0.14 -0.46 1.16 0.00 -0.36 0.00 0.00 175.35 175.83 1ffy n GLU 887 N 6.04 0.02 -0.09 0.00 -0.58 0.80 -1.08 120.64 125.76 1ffy n GLU 887 Ca 0.12 0.41 -0.10 0.00 -0.42 0.00 0.00 57.16 57.17 1ffy n GLU 887 Cb 0.46 -1.55 -0.03 0.00 -0.57 0.00 0.00 31.44 29.75 1ffy n GLU 887 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1ffy n ARG 888 N -1.59 0.52 0.00 3.49 0.63 -1.26 -4.66 116.66 113.78 1ffy n ARG 888 Ca 0.01 0.28 0.12 0.00 -0.92 0.00 0.00 57.85 57.35 1ffy n ARG 888 Cb 0.08 -1.49 0.26 0.00 0.45 0.00 0.00 32.46 31.76 1ffy n ARG 888 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ffy n TRP 890 N -0.81 0.00 -3.14 0.00 8.01 -0.24 -5.00 117.44 116.26 1ffy n TRP 890 Ca 0.10 0.00 -0.31 0.00 -1.31 0.00 0.00 57.50 55.97 1ffy n TRP 890 Cb 0.36 -1.61 -0.05 0.00 -2.01 0.00 0.00 31.31 28.00 1ffy n TRP 890 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.69 175.88 1ffy s ASN 891 N -2.22 6.65 0.09 -0.99 -0.87 -1.26 -4.68 114.94 111.66 1ffy s ASN 891 Ca 0.00 1.12 -0.24 0.00 -1.57 0.00 0.00 52.86 52.17 1ffy s ASN 891 Cb 0.00 -2.31 -0.07 0.00 -0.02 0.00 0.00 41.25 38.85 1ffy s ASN 891 CO 0.00 -0.23 0.74 -0.31 -2.57 0.00 0.00 177.10 174.73 1ffy s TYR 892 N -2.06 3.81 0.01 2.20 1.51 -1.26 -1.27 117.35 120.30 1ffy s TYR 892 Ca 0.51 1.50 0.00 0.00 -1.01 0.00 0.00 57.07 58.07 1ffy s TYR 892 Cb -0.10 -2.75 -0.01 0.00 -0.11 0.00 0.00 41.96 38.98 1ffy s TYR 892 CO 0.23 0.41 -0.03 0.45 -1.11 0.00 0.00 175.55 175.50 1ffy s SER 893 N -0.63 0.25 0.00 2.29 0.15 0.13 -4.85 113.70 111.04 1ffy s SER 893 Ca 0.36 -0.33 0.21 0.00 0.70 0.00 0.00 55.95 56.89 1ffy s SER 893 Cb -0.21 0.05 0.53 0.00 -1.71 0.00 0.00 66.02 64.68 1ffy s SER 893 CO 0.23 -0.18 1.45 -0.62 1.20 0.00 0.00 173.24 175.33 1ffy n GLU 894 N 2.12 2.38 -2.80 5.44 1.02 -1.26 0.67 120.64 128.21 1ffy n GLU 894 Ca -0.20 -2.11 -0.16 0.00 -0.02 0.00 0.00 57.16 54.67 1ffy n GLU 894 Cb 0.57 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 1ffy n GLU 894 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1ffy n ASP 895 N 1.27 2.13 -4.77 1.62 9.92 -1.26 -4.96 116.55 120.51 1ffy n ASP 895 Ca 0.20 -3.06 -0.39 0.00 -0.53 0.00 0.00 54.79 51.01 1ffy n ASP 895 Cb 0.54 -0.54 -0.03 0.00 -0.64 0.00 0.00 41.12 40.44 1ffy n ASP 895 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1ffy s LEU 896 N -3.05 4.34 0.18 0.64 1.43 -1.26 -4.08 118.68 116.88 1ffy s LEU 896 Ca 0.36 2.34 -0.01 0.00 -1.03 0.00 0.00 54.13 55.80 1ffy s LEU 896 Cb 0.40 -3.86 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 1ffy s LEU 896 CO -0.05 -0.47 0.10 -0.83 0.23 0.00 0.00 176.35 175.34 1ffy s GLY 897 N -1.00 1.31 -0.00 -3.19 0.00 0.22 -4.84 107.32 99.81 1ffy s GLY 897 Ca 0.52 -1.64 0.03 0.00 0.00 0.00 0.00 44.72 43.64 1ffy s GLY 897 CO 0.40 -1.41 -0.07 0.00 0.00 0.00 0.00 173.10 172.03 1ffy s ALA 898 N -4.08 3.00 -0.47 3.20 0.00 -1.26 -0.71 121.76 121.43 1ffy s ALA 898 Ca 0.34 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 51.31 1ffy s ALA 898 Cb 0.07 -1.12 0.13 0.00 0.00 0.00 0.00 23.12 22.20 1ffy s ALA 898 CO 0.09 0.61 0.23 0.08 0.00 0.00 0.00 175.76 176.77 1ffy s VAL 899 N -0.98 2.15 0.00 0.00 1.01 0.34 -4.98 120.40 117.94 1ffy s VAL 899 Ca 0.17 -2.96 0.00 0.00 0.00 0.00 0.00 61.98 59.19 1ffy s VAL 899 Cb -0.11 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.76 1ffy s VAL 899 CO 0.07 -0.81 0.00 0.47 0.00 0.00 0.00 175.10 174.83 1ffy n ASP 900 N 3.38 0.00 0.31 3.32 8.00 -1.26 -2.73 116.55 127.57 1ffy n ASP 900 Ca 0.06 0.00 0.20 0.00 0.71 0.00 0.00 54.79 55.76 1ffy n ASP 900 Cb 0.34 0.00 0.95 0.00 -0.02 0.00 0.00 41.12 42.39 1ffy n ASP 900 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1ffy h GLU 901 N 0.00 0.00 -5.89 -1.24 4.57 -2.03 -3.41 114.58 106.57 1ffy h GLU 901 Ca 0.00 0.00 -0.62 0.00 -1.18 0.00 0.00 59.36 57.56 1ffy h GLU 901 Cb 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 28.47 1ffy h GLU 901 CO 0.00 0.01 0.46 -0.51 -1.18 0.00 0.00 179.01 177.78 1ffy s LEU 902 N -6.24 4.17 0.56 1.64 1.43 -1.11 -3.96 118.68 115.17 1ffy s LEU 902 Ca -0.02 -0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.03 1ffy s LEU 902 Cb 0.11 -3.00 0.06 0.00 0.03 0.00 0.00 46.19 43.39 1ffy s LEU 902 CO 0.48 -1.01 0.77 0.42 0.23 0.00 0.00 176.35 177.23 1ffy s THR 903 N 3.54 2.51 -1.31 5.49 -4.23 -1.26 -0.50 115.64 119.88 1ffy s THR 903 Ca 0.32 -0.83 -0.01 0.00 -1.18 0.00 0.00 61.69 59.99 1ffy s THR 903 Cb -0.12 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 71.05 1ffy s THR 903 CO 0.23 0.00 0.74 1.41 -0.54 0.00 0.00 174.62 176.46 1ffy n HIS 904 N -2.28 -1.96 -4.63 3.99 8.25 -1.21 -4.65 115.22 112.73 1ffy n HIS 904 Ca 0.11 0.85 -0.33 0.00 -0.26 0.00 0.00 57.72 58.09 1ffy n HIS 904 Cb 0.60 -4.44 -0.12 0.00 1.12 0.00 0.00 29.99 27.15 1ffy n HIS 904 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ffy s LEU 905 N -6.69 3.04 0.85 2.41 1.43 0.11 -0.14 118.68 119.69 1ffy s LEU 905 Ca 0.04 -0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 52.88 1ffy s LEU 905 Cb -0.02 -1.68 0.10 0.00 0.03 0.00 0.00 46.19 44.61 1ffy s LEU 905 CO 0.81 0.26 1.11 0.00 0.23 0.00 0.00 176.35 178.76 1ffy h PRO 907 N -1.27 0.90 -0.11 0.00 0.11 -1.95 0.12 132.00 129.80 1ffy h PRO 907 Ca -0.48 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 1ffy h PRO 907 Cb 1.29 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1ffy h PRO 907 CO 0.60 0.60 0.06 -0.09 -0.21 0.00 0.00 178.00 178.96 1ffy h ARG 908 N 0.93 0.15 0.00 1.05 2.43 -1.95 -2.49 114.38 114.49 1ffy h ARG 908 Ca 0.50 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.58 1ffy h ARG 908 Cb 0.57 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1ffy h ARG 908 CO -0.27 0.17 -0.37 0.00 -1.51 0.00 0.00 179.97 178.00 1ffy h GLN 910 N 0.00 1.19 -0.35 0.00 4.20 -0.50 -1.33 115.11 118.33 1ffy h GLN 910 Ca -0.00 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.44 1ffy h GLN 910 Cb 0.87 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1ffy h GLN 910 CO 0.05 0.97 0.05 0.37 -0.67 0.00 0.00 178.83 179.60 1ffy h GLN 911 N 1.16 0.58 -0.21 1.46 4.15 -1.25 -0.06 115.11 120.94 1ffy h GLN 911 Ca 0.26 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 1ffy h GLN 911 Cb 0.24 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 1ffy h GLN 911 CO -0.02 0.67 0.09 0.28 -1.93 0.00 0.00 178.83 177.92 1ffy h VAL 912 N 0.41 1.15 -0.38 2.39 2.07 -1.32 -2.52 116.25 118.05 1ffy h VAL 912 Ca 0.10 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1ffy h VAL 912 Cb 0.37 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1ffy h VAL 912 CO 0.01 0.14 0.18 0.58 0.02 0.00 0.00 177.57 178.51 1ffy h VAL 913 N 0.20 1.17 -0.47 2.57 2.07 -1.19 -2.46 116.25 118.14 1ffy h VAL 913 Ca 0.07 -0.48 0.09 0.00 0.82 0.00 0.00 66.70 67.20 1ffy h VAL 913 Cb 0.14 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1ffy h VAL 913 CO -0.01 0.18 0.32 0.11 0.02 0.00 0.00 177.57 178.19 1ffy h LYS 914 N 0.48 0.26 0.00 1.57 1.57 -0.91 0.16 116.57 119.70 1ffy h LYS 914 Ca 0.13 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1ffy h LYS 914 Cb 0.12 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1ffy h LYS 914 CO -0.02 0.17 0.00 -1.13 -0.57 0.00 0.00 179.45 177.90 1ffy n SER 915 N -4.46 0.00 0.00 0.86 3.41 -0.94 -4.31 113.62 108.19 1ffy n SER 915 Ca 0.07 -0.50 0.00 0.00 -0.26 0.00 0.00 58.87 58.18 1ffy n SER 915 Cb 0.35 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1ffy n SER 915 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ffy n LEU 916 N -1.15 0.09 0.00 1.04 4.77 0.57 -5.10 117.00 117.22 1ffy n LEU 916 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1ffy n LEU 916 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1ffy n LEU 916 CO 0.19 0.00 0.00 0.52 -1.33 0.00 0.00 177.39 176.77