#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ffu h ALA 8 N 0.00 1.71 -0.37 -1.67 0.00 -1.99 0.14 119.26 117.09 1ffu h ALA 8 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1ffu h ALA 8 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1ffu h ALA 8 CO 0.00 0.24 -0.31 0.93 0.00 0.00 0.00 179.25 180.11 1ffu h GLU 9 N 0.61 0.80 -0.65 0.00 5.08 -2.01 -2.50 114.58 115.91 1ffu h GLU 9 Ca 0.19 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 58.11 1ffu h GLU 9 Cb 0.02 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1ffu h GLU 9 CO -0.05 1.00 0.13 0.00 -1.00 0.00 0.00 179.01 179.10 1ffu h ALA 10 N 0.97 0.87 -0.71 3.43 0.00 -1.46 -1.68 119.26 120.67 1ffu h ALA 10 Ca 0.07 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1ffu h ALA 10 Cb 0.85 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1ffu h ALA 10 CO 0.07 0.61 0.27 0.00 0.00 0.00 0.00 179.25 180.21 1ffu h ARG 11 N 0.99 1.06 -0.53 0.00 3.08 -0.67 0.09 114.38 118.40 1ffu h ARG 11 Ca 0.20 -0.19 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 1ffu h ARG 11 Cb 0.40 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1ffu h ARG 11 CO 0.01 0.87 -0.09 1.49 -1.07 0.00 0.00 179.97 181.18 1ffu h GLU 12 N 1.04 0.98 -0.49 0.04 4.81 -1.11 -2.77 114.58 117.08 1ffu h GLU 12 Ca 0.24 -0.34 -0.11 0.00 -0.13 0.00 0.00 59.36 59.02 1ffu h GLU 12 Cb 0.22 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1ffu h GLU 12 CO -0.02 1.02 -0.11 1.25 -0.73 0.00 0.00 179.01 180.42 1ffu h LEU 13 N 0.87 0.94 -2.38 1.64 6.46 -0.94 -2.66 115.31 119.24 1ffu h LEU 13 Ca 0.14 -0.36 0.03 0.00 -0.12 0.00 0.00 57.88 57.57 1ffu h LEU 13 Cb 0.64 -0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 40.31 1ffu h LEU 13 CO 0.04 1.08 0.11 0.00 -0.62 0.00 0.00 178.44 179.05 1ffu h ALA 14 N 0.89 1.61 -0.06 1.25 0.00 -0.72 -2.24 119.26 119.99 1ffu h ALA 14 Ca 0.12 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1ffu h ALA 14 Cb 0.66 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1ffu h ALA 14 CO 0.05 -0.15 -0.54 -0.07 0.00 0.00 0.00 179.25 178.53 1ffu h LEU 15 N 0.00 0.19 -2.15 0.00 3.38 -1.21 -3.46 115.31 112.06 1ffu h LEU 15 Ca 0.04 -0.10 -0.36 0.00 0.09 0.00 0.00 57.88 57.55 1ffu h LEU 15 Cb 0.26 -0.05 0.12 0.00 0.09 0.00 0.00 40.66 41.08 1ffu h LEU 15 CO -0.00 0.69 -0.84 0.00 0.09 0.00 0.00 178.44 178.38 1ffu n ALA 16 N -2.46 -2.22 -2.29 1.53 0.00 -0.85 -1.30 120.51 112.92 1ffu n ALA 16 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1ffu n ALA 16 Cb 0.57 -3.33 0.00 0.00 0.00 0.00 0.00 19.45 16.69 1ffu n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ffu n GLY 17 N -1.42 2.82 3.61 0.00 0.00 -1.26 -4.46 105.19 104.48 1ffu n GLY 17 Ca -0.21 -1.65 -0.51 0.00 0.00 0.00 0.00 46.02 43.65 1ffu n GLY 17 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ffu n MET 18 N 0.00 1.30 0.00 1.61 2.81 -1.19 -2.00 117.12 119.65 1ffu n MET 18 Ca 0.00 0.47 0.00 0.00 -1.81 0.00 0.00 57.70 56.36 1ffu n MET 18 Cb 0.00 -2.13 0.00 0.00 -0.71 0.00 0.00 33.22 30.38 1ffu n MET 18 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ffu n GLY 19 N 2.74 3.10 3.79 3.03 0.00 -0.05 -5.04 105.19 112.76 1ffu n GLY 19 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1ffu n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ffu s ALA 20 N -1.97 3.18 -0.78 4.61 0.00 -0.85 -4.58 121.76 121.37 1ffu s ALA 20 Ca 0.00 0.52 -0.03 0.00 0.00 0.00 0.00 51.96 52.45 1ffu s ALA 20 Cb 0.00 -3.18 0.20 0.00 0.00 0.00 0.00 23.12 20.13 1ffu s ALA 20 CO 0.00 0.15 2.35 0.43 0.00 0.00 0.00 175.76 178.69 1ffu n SER 21 N 0.37 7.16 -4.77 0.00 7.64 -1.26 -4.32 113.62 118.45 1ffu n SER 21 Ca 0.03 -3.47 -0.36 0.00 1.01 0.00 0.00 58.87 56.08 1ffu n SER 21 Cb 0.51 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 1ffu n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ffu s ARG 22 N -2.77 3.43 0.75 1.43 1.70 -1.26 -4.85 118.95 117.38 1ffu s ARG 22 Ca 0.53 1.72 -0.12 0.00 -0.47 0.00 0.00 55.73 57.39 1ffu s ARG 22 Cb 0.35 -2.14 0.05 0.00 -0.57 0.00 0.00 34.95 32.64 1ffu s ARG 22 CO -0.26 -0.81 1.12 -0.51 -1.08 0.00 0.00 175.30 173.76 1ffu s LEU 23 N -3.56 3.16 0.35 -1.89 1.43 -1.26 -4.92 118.68 111.98 1ffu s LEU 23 Ca 0.70 2.02 -0.26 0.00 -1.03 0.00 0.00 54.13 55.56 1ffu s LEU 23 Cb -0.27 -4.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.31 1ffu s LEU 23 CO 0.31 -2.12 1.10 -0.13 0.23 0.00 0.00 176.35 175.74 1ffu s ARG 24 N -4.46 4.34 0.18 1.70 0.52 -1.26 -4.96 118.95 115.00 1ffu s ARG 24 Ca 0.66 1.70 0.09 0.00 -0.52 0.00 0.00 55.73 57.67 1ffu s ARG 24 Cb -0.21 -2.84 -0.06 0.00 0.52 0.00 0.00 34.95 32.37 1ffu s ARG 24 CO 0.50 -0.04 1.37 0.87 0.02 0.00 0.00 175.30 178.02 1ffu h LYS 25 N 3.07 0.00 -0.00 3.54 1.57 -1.94 -3.30 116.57 119.51 1ffu h LYS 25 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1ffu h LYS 25 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1ffu h LYS 25 CO 0.64 0.84 -0.04 -0.85 -0.57 0.00 0.00 179.45 179.47 1ffu n GLU 26 N -3.39 0.22 -0.20 3.15 0.00 -1.26 -4.12 120.64 115.04 1ffu n GLU 26 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 57.16 57.08 1ffu n GLU 26 Cb 0.85 -1.50 0.09 0.00 0.00 0.00 0.00 31.44 30.88 1ffu n GLU 26 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1ffu h ASP 27 N 0.05 0.97 -0.69 -1.84 5.19 -1.98 -3.30 116.42 114.82 1ffu h ASP 27 Ca 0.00 -0.22 0.10 0.00 -0.62 0.00 0.00 57.03 56.29 1ffu h ASP 27 Cb 0.41 -0.26 -0.12 0.00 0.18 0.00 0.00 39.33 39.55 1ffu h ASP 27 CO 0.00 0.97 -0.45 0.00 -3.12 0.00 0.00 179.24 176.63 1ffu h ALA 28 N 1.15 -0.30 -0.51 3.45 0.00 -1.83 -0.99 119.26 120.23 1ffu h ALA 28 Ca 0.19 0.13 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 1ffu h ALA 28 Cb 0.41 1.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 1ffu h ALA 28 CO 0.01 -0.82 -0.13 0.07 0.00 0.00 0.00 179.25 178.37 1ffu h ARG 29 N -0.17 0.99 -0.43 0.00 0.11 -1.87 -3.23 114.38 109.78 1ffu h ARG 29 Ca 0.20 -0.39 -0.07 0.00 0.10 0.00 0.00 59.98 59.83 1ffu h ARG 29 Cb 0.55 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 31.56 1ffu h ARG 29 CO -0.76 1.06 0.01 0.74 0.10 0.00 0.00 179.97 181.11 1ffu h PHE 30 N 0.85 0.83 0.00 4.08 0.04 -1.50 0.33 116.94 121.57 1ffu h PHE 30 Ca 0.13 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1ffu h PHE 30 Cb 0.70 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.64 1ffu h PHE 30 CO 0.05 0.81 0.00 0.44 -0.60 0.00 0.00 178.31 179.01 1ffu n ILE 31 N -4.41 0.32 -0.02 -0.55 -5.35 -0.43 -2.29 119.36 106.63 1ffu n ILE 31 Ca -0.00 0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.56 1ffu n ILE 31 Cb 0.29 -0.79 0.00 0.00 -1.74 0.00 0.00 39.64 37.40 1ffu n ILE 31 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ffu n GLN 32 N -1.19 2.50 -1.73 6.28 6.02 -1.07 -4.99 117.38 123.20 1ffu n GLN 32 Ca 0.10 -1.37 -0.11 0.00 -0.01 0.00 0.00 57.00 55.62 1ffu n GLN 32 Cb 0.11 -0.99 -0.03 0.00 1.02 0.00 0.00 30.24 30.36 1ffu n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ffu n GLY 33 N -0.43 0.60 1.36 1.08 0.00 -0.97 -4.92 105.19 101.91 1ffu n GLY 33 Ca 0.00 -0.50 0.04 0.00 0.00 0.00 0.00 46.02 45.56 1ffu n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ffu n LYS 34 N -2.37 3.35 -1.51 1.61 4.76 0.11 -4.98 118.16 119.13 1ffu n LYS 34 Ca -0.11 -3.00 -0.30 0.00 -2.87 0.00 0.00 58.31 52.02 1ffu n LYS 34 Cb 0.46 -2.01 0.08 0.00 -1.84 0.00 0.00 35.03 31.72 1ffu n LYS 34 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1ffu s GLY 35 N -1.59 1.65 -0.51 0.72 0.00 -1.20 -4.78 107.32 101.60 1ffu s GLY 35 Ca 0.48 -0.03 0.04 0.00 0.00 0.00 0.00 44.72 45.20 1ffu s GLY 35 CO 0.10 0.34 0.28 0.21 0.00 0.00 0.00 173.10 174.03 1ffu s ASN 36 N -3.78 4.12 0.38 1.64 2.47 -1.26 -5.03 114.94 113.47 1ffu s ASN 36 Ca 0.60 -2.98 0.03 0.00 0.42 0.00 0.00 52.86 50.93 1ffu s ASN 36 Cb -0.15 -1.45 -0.01 0.00 -1.45 0.00 0.00 41.25 38.20 1ffu s ASN 36 CO 0.55 -0.23 0.56 -0.31 -3.72 0.00 0.00 177.10 173.96 1ffu s TYR 37 N -0.21 3.22 0.19 0.43 2.02 -1.26 -0.95 117.35 120.79 1ffu s TYR 37 Ca 0.18 0.06 -0.16 0.00 -0.37 0.00 0.00 57.07 56.78 1ffu s TYR 37 Cb -0.23 -2.11 0.16 0.00 -0.40 0.00 0.00 41.96 39.38 1ffu s TYR 37 CO -0.02 -0.13 1.64 0.28 -1.57 0.00 0.00 175.55 175.76 1ffu h VAL 38 N 0.67 0.47 0.00 0.71 2.07 -1.95 -0.35 116.25 117.87 1ffu h VAL 38 Ca -0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1ffu h VAL 38 Cb 1.25 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1ffu h VAL 38 CO 0.56 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 177.48 1ffu n ASP 39 N -5.37 0.00 0.16 0.57 2.03 -1.26 -1.87 116.55 110.81 1ffu n ASP 39 Ca 0.05 0.49 0.12 0.00 0.52 0.00 0.00 54.79 55.97 1ffu n ASP 39 Cb 0.28 -0.49 0.24 0.00 -0.72 0.00 0.00 41.12 40.43 1ffu n ASP 39 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1ffu h ASP 40 N 0.00 0.00 -3.38 1.67 3.32 -1.44 -3.46 116.42 113.13 1ffu h ASP 40 Ca 0.00 -0.01 -0.53 0.00 0.02 0.00 0.00 57.03 56.51 1ffu h ASP 40 Cb 0.22 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.78 1ffu h ASP 40 CO 0.00 0.01 0.53 -0.63 -1.72 0.00 0.00 179.24 177.43 1ffu s ILE 41 N -3.18 3.87 -0.06 0.35 1.01 -0.78 -5.00 121.20 117.41 1ffu s ILE 41 Ca 0.08 1.47 -0.01 0.00 0.00 0.00 0.00 60.65 62.19 1ffu s ILE 41 Cb 0.08 -3.94 0.03 0.00 0.01 0.00 0.00 42.46 38.64 1ffu s ILE 41 CO 0.65 0.19 -0.01 -0.54 0.00 0.00 0.00 174.94 175.23 1ffu s LYS 42 N 0.30 0.69 0.23 2.79 1.02 -1.26 -5.09 119.74 118.43 1ffu s LYS 42 Ca 0.54 0.03 0.12 0.00 0.02 0.00 0.00 55.97 56.68 1ffu s LYS 42 Cb -0.30 -0.93 -0.05 0.00 -0.52 0.00 0.00 37.83 36.03 1ffu s LYS 42 CO 0.33 -0.23 -0.22 -1.64 -0.92 0.00 0.00 175.35 172.67 1ffu s MET 43 N 1.60 1.61 0.11 1.68 -1.94 -1.26 -5.07 119.30 116.03 1ffu s MET 43 Ca -0.01 -1.62 -0.31 0.00 -1.71 0.00 0.00 55.69 52.04 1ffu s MET 43 Cb -0.13 -1.82 -0.11 0.00 2.01 0.00 0.00 34.83 34.78 1ffu s MET 43 CO -0.04 0.37 1.84 -2.30 -0.01 0.00 0.00 175.02 174.89 1ffu n PRO 44 N -0.13 2.77 -1.02 2.03 -0.02 -1.26 -1.82 135.00 135.56 1ffu n PRO 44 Ca -0.09 1.01 -0.01 0.00 -2.02 0.00 0.00 63.50 62.39 1ffu n PRO 44 Cb 0.58 -2.90 -0.00 0.00 -0.02 0.00 0.00 33.50 31.15 1ffu n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ffu n GLY 45 N 4.24 0.47 3.70 -1.23 0.00 -1.26 -4.59 105.19 106.52 1ffu n GLY 45 Ca 0.18 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1ffu n GLY 45 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ffu s MET 46 N -0.78 4.21 0.44 1.61 0.00 -0.75 -4.28 119.30 119.74 1ffu s MET 46 Ca 0.00 2.31 0.08 0.00 0.00 0.00 0.00 55.69 58.08 1ffu s MET 46 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 34.83 31.33 1ffu s MET 46 CO 0.00 -0.69 0.47 -0.51 0.00 0.00 0.00 175.02 174.29 1ffu s LEU 47 N 2.29 3.39 -0.03 4.11 1.43 0.13 -4.94 118.68 125.06 1ffu s LEU 47 Ca 0.72 -0.70 0.07 0.00 -1.03 0.00 0.00 54.13 53.19 1ffu s LEU 47 Cb -0.40 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 1ffu s LEU 47 CO 0.32 -0.78 -0.24 -2.28 0.23 0.00 0.00 176.35 173.60 1ffu s HIS 48 N -2.48 2.19 -0.01 0.29 2.46 0.63 -0.73 115.29 117.64 1ffu s HIS 48 Ca 0.50 -0.48 0.03 0.00 0.47 0.00 0.00 55.06 55.57 1ffu s HIS 48 Cb -0.05 -1.42 -0.03 0.00 -0.13 0.00 0.00 32.58 30.95 1ffu s HIS 48 CO 0.30 -0.09 -0.05 1.41 -2.47 0.00 0.00 174.74 173.84 1ffu s MET 49 N -0.43 2.62 0.05 2.88 1.75 0.18 -0.71 119.30 125.63 1ffu s MET 49 Ca 0.05 -0.68 0.01 0.00 -1.25 0.00 0.00 55.69 53.83 1ffu s MET 49 Cb -0.10 -2.54 -0.03 0.00 2.84 0.00 0.00 34.83 34.99 1ffu s MET 49 CO 0.00 0.61 -0.06 0.34 -0.65 0.00 0.00 175.02 175.27 1ffu s ASP 50 N -1.37 0.72 -0.10 1.11 -1.08 -0.79 -4.60 116.67 110.56 1ffu s ASP 50 Ca 0.17 -0.68 -0.00 0.00 -0.52 0.00 0.00 52.55 51.52 1ffu s ASP 50 Cb -0.11 0.08 -0.03 0.00 -1.46 0.00 0.00 42.92 41.40 1ffu s ASP 50 CO 0.07 -0.32 -0.08 -0.63 0.52 0.00 0.00 175.17 174.73 1ffu s ILE 51 N -2.13 3.61 -0.21 4.11 1.01 -1.26 -0.89 121.20 125.43 1ffu s ILE 51 Ca -0.05 -0.49 -0.22 0.00 0.00 0.00 0.00 60.65 59.89 1ffu s ILE 51 Cb -0.05 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.89 1ffu s ILE 51 CO -0.02 0.56 0.68 -0.69 0.00 0.00 0.00 174.94 175.47 1ffu s VAL 52 N -0.32 4.97 0.09 2.92 1.01 0.13 -4.97 120.40 124.24 1ffu s VAL 52 Ca 0.04 1.29 0.07 0.00 0.00 0.00 0.00 61.98 63.38 1ffu s VAL 52 Cb -0.13 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1ffu s VAL 52 CO 0.02 0.07 -0.10 -0.13 0.00 0.00 0.00 175.10 174.96 1ffu s ARG 53 N 2.12 2.16 0.22 2.72 0.52 -1.26 -0.43 118.95 125.01 1ffu s ARG 53 Ca 0.30 -1.00 -0.31 0.00 -0.52 0.00 0.00 55.73 54.20 1ffu s ARG 53 Cb -0.16 -2.32 -0.11 0.00 0.52 0.00 0.00 34.95 32.88 1ffu s ARG 53 CO 0.10 0.52 1.62 0.00 0.02 0.00 0.00 175.30 177.56 1ffu s ALA 54 N -1.19 3.82 -0.81 2.13 0.00 0.03 -4.84 121.76 120.90 1ffu s ALA 54 Ca 0.21 1.50 0.25 0.00 0.00 0.00 0.00 51.96 53.92 1ffu s ALA 54 Cb -0.11 -3.65 0.55 0.00 0.00 0.00 0.00 23.12 19.91 1ffu s ALA 54 CO 0.13 -0.88 1.47 -0.35 0.00 0.00 0.00 175.76 176.12 1ffu n PRO 55 N 3.34 0.16 -4.51 0.00 -0.04 -1.26 -1.02 135.00 131.66 1ffu n PRO 55 Ca 0.12 0.06 -0.25 0.00 -0.04 0.00 0.00 63.50 63.39 1ffu n PRO 55 Cb 0.37 -1.61 -0.10 0.00 -0.04 0.00 0.00 33.50 32.11 1ffu n PRO 55 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1ffu s ILE 56 N -3.09 2.27 -0.18 0.52 -4.36 -1.26 -4.89 121.20 110.21 1ffu s ILE 56 Ca 0.09 -2.26 0.17 0.00 -0.26 0.00 0.00 60.65 58.39 1ffu s ILE 56 Cb 0.15 -2.52 0.01 0.00 1.25 0.00 0.00 42.46 41.36 1ffu s ILE 56 CO 0.68 -0.27 1.20 0.00 0.24 0.00 0.00 174.94 176.78 1ffu h ALA 57 N 2.12 0.67 -1.97 2.27 0.00 -1.83 -3.12 119.26 117.41 1ffu h ALA 57 Ca -0.41 -0.49 0.04 0.00 0.00 0.00 0.00 54.91 54.05 1ffu h ALA 57 Cb 1.25 0.06 -0.21 0.00 0.00 0.00 0.00 17.79 18.89 1ffu h ALA 57 CO 0.67 0.59 0.00 -1.58 0.00 0.00 0.00 179.25 178.93 1ffu s HIS 58 N -3.02 -1.11 0.00 0.00 5.65 -1.26 -1.81 115.29 113.74 1ffu s HIS 58 Ca 0.01 2.13 0.00 0.00 0.25 0.00 0.00 55.06 57.46 1ffu s HIS 58 Cb 0.08 0.67 0.00 0.00 -1.18 0.00 0.00 32.58 32.15 1ffu s HIS 58 CO 0.77 -0.55 0.00 0.41 -0.65 0.00 0.00 174.74 174.72 1ffu n GLY 59 N 4.58 2.14 3.83 1.59 0.00 -1.07 -1.04 105.19 115.21 1ffu n GLY 59 Ca -0.18 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 1ffu n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ffu s ARG 60 N -2.00 4.17 -0.40 1.61 0.52 -1.00 -0.63 118.95 121.23 1ffu s ARG 60 Ca 0.00 0.99 -0.20 0.00 -0.52 0.00 0.00 55.73 56.00 1ffu s ARG 60 Cb 0.00 -2.27 0.01 0.00 0.52 0.00 0.00 34.95 33.21 1ffu s ARG 60 CO 0.00 0.03 0.62 0.42 0.02 0.00 0.00 175.30 176.39 1ffu s ILE 61 N -2.10 4.88 -0.11 1.52 1.01 -0.20 -2.16 121.20 124.04 1ffu s ILE 61 Ca 0.59 0.30 -0.24 0.00 0.00 0.00 0.00 60.65 61.30 1ffu s ILE 61 Cb -0.10 -4.13 -0.21 0.00 0.01 0.00 0.00 42.46 38.04 1ffu s ILE 61 CO 0.15 -0.45 0.76 0.11 0.00 0.00 0.00 174.94 175.51 1ffu h LYS 62 N 8.68 -0.03 -1.85 2.79 1.57 -1.43 -3.47 116.57 122.83 1ffu h LYS 62 Ca -0.26 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1ffu h LYS 62 Cb 1.10 0.01 -0.21 0.00 0.08 0.00 0.00 32.23 33.21 1ffu h LYS 62 CO 0.86 0.71 0.29 0.21 -0.57 0.00 0.00 179.45 180.94 1ffu s LYS 63 N -2.58 0.83 -0.13 3.15 2.20 -1.21 -5.00 119.74 116.99 1ffu s LYS 63 Ca -0.15 0.47 0.02 0.00 -0.36 0.00 0.00 55.97 55.95 1ffu s LYS 63 Cb -0.02 0.39 0.00 0.00 -1.51 0.00 0.00 37.83 36.70 1ffu s LYS 63 CO 0.58 -0.20 -0.20 0.42 -0.36 0.00 0.00 175.35 175.59 1ffu s ILE 64 N -0.57 2.33 -0.36 5.43 1.01 -1.26 -1.30 121.20 126.48 1ffu s ILE 64 Ca -0.04 -0.90 -0.13 0.00 0.00 0.00 0.00 60.65 59.57 1ffu s ILE 64 Cb -0.02 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.50 1ffu s ILE 64 CO 0.04 0.54 0.25 -1.00 0.00 0.00 0.00 174.94 174.77 1ffu s HIS 65 N 0.62 3.23 -0.03 3.97 3.76 0.15 -4.95 115.29 122.04 1ffu s HIS 65 Ca -0.11 -0.35 0.18 0.00 -0.15 0.00 0.00 55.06 54.63 1ffu s HIS 65 Cb -0.16 -2.50 -0.27 0.00 1.11 0.00 0.00 32.58 30.76 1ffu s HIS 65 CO 0.03 -0.43 0.38 1.63 -0.85 0.00 0.00 174.74 175.50 1ffu n LYS 66 N 5.11 0.55 -0.16 1.40 5.02 -1.26 -3.27 118.16 125.54 1ffu n LYS 66 Ca -0.12 -0.16 -0.03 0.00 -2.02 0.00 0.00 58.31 55.98 1ffu n LYS 66 Cb 0.49 -1.42 0.06 0.00 -0.02 0.00 0.00 35.03 34.14 1ffu n LYS 66 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1ffu h ASP 67 N 0.00 0.22 -0.95 4.39 3.32 -1.94 0.13 116.42 121.59 1ffu h ASP 67 Ca -0.01 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1ffu h ASP 67 Cb 0.83 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.36 1ffu h ASP 67 CO 0.00 0.16 0.58 0.00 -1.72 0.00 0.00 179.24 178.26 1ffu h ALA 68 N 1.32 1.23 -0.23 3.45 0.00 -1.85 -1.82 119.26 121.36 1ffu h ALA 68 Ca 0.24 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.84 1ffu h ALA 68 Cb 0.23 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1ffu h ALA 68 CO -0.23 0.66 -0.65 0.00 0.00 0.00 0.00 179.25 179.04 1ffu h ALA 69 N 1.33 0.40 -0.08 0.00 0.00 -1.71 -3.10 119.26 116.10 1ffu h ALA 69 Ca 0.34 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1ffu h ALA 69 Cb -0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ffu h ALA 69 CO -0.07 0.68 -0.15 -0.07 0.00 0.00 0.00 179.25 179.65 1ffu h LEU 70 N 0.62 0.11 0.00 0.00 3.38 -0.58 -2.53 115.31 116.31 1ffu h LEU 70 Ca -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ffu h LEU 70 Cb 1.27 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1ffu h LEU 70 CO 0.14 0.28 -0.27 0.00 0.09 0.00 0.00 178.44 178.68 1ffu h ALA 71 N 1.74 0.84 -2.36 1.53 0.00 -1.37 -3.46 119.26 116.18 1ffu h ALA 71 Ca 0.02 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.40 1ffu h ALA 71 Cb 0.34 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.15 1ffu h ALA 71 CO 0.02 0.00 1.18 1.41 0.00 0.00 0.00 179.25 181.86 1ffu s MET 72 N -3.18 4.15 0.16 0.00 0.00 -0.95 -4.91 119.30 114.56 1ffu s MET 72 Ca 0.07 2.51 -0.33 0.00 0.00 0.00 0.00 55.69 57.94 1ffu s MET 72 Cb 0.10 -4.04 -0.13 0.00 0.00 0.00 0.00 34.83 30.76 1ffu s MET 72 CO 0.67 -0.91 1.65 -0.35 0.00 0.00 0.00 175.02 176.08 1ffu n PRO 73 N 7.17 2.35 0.00 4.11 -0.04 -1.26 -1.81 135.00 145.52 1ffu n PRO 73 Ca 0.19 0.85 0.00 0.00 -0.04 0.00 0.00 63.50 64.50 1ffu n PRO 73 Cb 0.41 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 1ffu n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ffu n GLY 74 N 3.66 2.53 3.67 0.55 0.00 -1.26 -5.00 105.19 109.34 1ffu n GLY 74 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1ffu n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ffu s VAL 75 N -2.38 4.91 -0.19 1.61 1.01 -0.75 -1.55 120.40 123.06 1ffu s VAL 75 Ca 0.00 1.59 0.18 0.00 0.00 0.00 0.00 61.98 63.74 1ffu s VAL 75 Cb 0.00 -4.12 -0.25 0.00 0.00 0.00 0.00 36.38 32.01 1ffu s VAL 75 CO 0.00 0.06 0.12 1.41 0.00 0.00 0.00 175.10 176.69 1ffu n HIS 76 N 5.05 0.08 -3.52 5.22 8.25 0.15 -4.89 115.22 125.56 1ffu n HIS 76 Ca 0.03 0.03 -0.14 0.00 -0.26 0.00 0.00 57.72 57.38 1ffu n HIS 76 Cb 0.49 -1.01 -0.05 0.00 1.12 0.00 0.00 29.99 30.55 1ffu n HIS 76 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ffu s ALA 77 N -2.52 -1.79 -0.21 -1.41 0.00 -1.15 -4.98 121.76 109.70 1ffu s ALA 77 Ca -0.10 1.22 -0.03 0.00 0.00 0.00 0.00 51.96 53.05 1ffu s ALA 77 Cb 0.06 0.01 0.07 0.00 0.00 0.00 0.00 23.12 23.26 1ffu s ALA 77 CO 0.83 -0.45 0.07 0.08 0.00 0.00 0.00 175.76 176.28 1ffu s VAL 78 N -1.78 0.32 0.07 0.00 1.01 -1.26 -0.52 120.40 118.24 1ffu s VAL 78 Ca -0.05 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.43 1ffu s VAL 78 Cb -0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1ffu s VAL 78 CO 0.02 -0.32 0.03 -0.76 0.00 0.00 0.00 175.10 174.07 1ffu s LEU 79 N 1.94 3.60 0.42 3.92 1.43 -0.68 -4.96 118.68 124.36 1ffu s LEU 79 Ca 0.02 -0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.07 1ffu s LEU 79 Cb -0.17 -2.27 -0.02 0.00 0.03 0.00 0.00 46.19 43.76 1ffu s LEU 79 CO -0.13 0.19 0.14 0.42 0.23 0.00 0.00 176.35 177.20 1ffu s THR 80 N -1.30 0.56 0.50 5.49 -4.23 -1.26 -1.38 115.64 114.01 1ffu s THR 80 Ca 0.26 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.99 1ffu s THR 80 Cb -0.12 -2.32 0.38 0.00 1.34 0.00 0.00 72.50 71.78 1ffu s THR 80 CO 0.18 0.00 1.98 0.00 -0.54 0.00 0.00 174.62 176.24 1ffu h ALA 81 N 1.76 2.37 -0.53 3.99 0.00 -1.79 -0.88 119.26 124.19 1ffu h ALA 81 Ca -0.35 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.59 1ffu h ALA 81 Cb 1.27 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1ffu h ALA 81 CO 0.56 -0.53 0.35 0.93 0.00 0.00 0.00 179.25 180.56 1ffu h GLU 82 N 0.12 0.55 0.00 0.00 4.39 -1.94 -0.31 114.58 117.39 1ffu h GLU 82 Ca 0.27 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.94 1ffu h GLU 82 Cb 0.92 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1ffu h GLU 82 CO -0.03 0.37 0.00 -0.44 -1.16 0.00 0.00 179.01 177.74 1ffu h ASP 83 N 0.57 0.00 0.51 1.42 3.32 -1.55 -3.27 116.42 117.42 1ffu h ASP 83 Ca 0.22 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.05 1ffu h ASP 83 Cb 0.15 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 1ffu h ASP 83 CO -0.06 0.00 -1.66 0.18 -1.72 0.00 0.00 179.24 175.99 1ffu n LEU 84 N -2.39 0.71 -0.27 1.55 4.32 -0.20 -4.45 117.00 116.27 1ffu n LEU 84 Ca 0.05 0.32 0.04 0.00 -0.02 0.00 0.00 56.01 56.39 1ffu n LEU 84 Cb 0.41 0.15 0.17 0.00 -1.62 0.00 0.00 43.42 42.54 1ffu n LEU 84 CO 0.29 0.25 1.10 0.11 -1.22 0.00 0.00 177.39 177.92 1ffu h LYS 85 N 0.00 0.64 -0.44 3.23 1.57 -1.41 -0.80 116.57 119.35 1ffu h LYS 85 Ca -0.24 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.53 1ffu h LYS 85 Cb 1.77 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.91 1ffu h LYS 85 CO 0.05 0.42 0.29 -1.35 -0.57 0.00 0.00 179.45 178.29 1ffu h PRO 86 N 0.65 0.49 -0.21 3.15 0.11 -1.78 0.37 132.00 134.79 1ffu h PRO 86 Ca 0.40 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.48 1ffu h PRO 86 Cb 0.46 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.46 1ffu h PRO 86 CO -0.30 0.32 0.00 1.28 -0.21 0.00 0.00 178.00 179.10 1ffu n LEU 87 N -4.48 2.22 -3.44 2.35 4.77 -0.76 -4.94 117.00 112.73 1ffu n LEU 87 Ca 0.04 -0.92 -0.25 0.00 -0.03 0.00 0.00 56.01 54.85 1ffu n LEU 87 Cb 0.13 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1ffu n LEU 87 CO 0.35 0.46 0.04 0.29 -1.33 0.00 0.00 177.39 177.20 1ffu n LYS 88 N 0.69 -4.90 -0.29 3.23 5.02 0.12 -4.91 118.16 117.13 1ffu n LYS 88 Ca 0.17 0.68 0.09 0.00 -2.02 0.00 0.00 58.31 57.23 1ffu n LYS 88 Cb 0.42 -5.52 0.21 0.00 -0.02 0.00 0.00 35.03 30.12 1ffu n LYS 88 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ffu n LEU 89 N -4.22 3.23 -0.00 -0.35 4.77 -0.41 -4.55 117.00 115.48 1ffu n LEU 89 Ca -0.03 -3.07 0.14 0.00 -0.03 0.00 0.00 56.01 53.02 1ffu n LEU 89 Cb 0.56 -0.50 0.63 0.00 -2.33 0.00 0.00 43.42 41.78 1ffu n LEU 89 CO 0.58 0.70 0.96 0.00 -1.33 0.00 0.00 177.39 178.31 1ffu n HIS 90 N -0.92 0.00 -4.03 -1.77 1.44 -1.26 -4.59 115.22 104.09 1ffu n HIS 90 Ca 0.19 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.79 1ffu n HIS 90 Cb 0.79 -0.48 -0.12 0.00 0.12 0.00 0.00 29.99 30.30 1ffu n HIS 90 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1ffu s TRP 91 N -2.97 0.47 0.04 -1.40 0.52 -1.26 -0.56 118.94 113.78 1ffu s TRP 91 Ca 0.15 -0.45 0.02 0.00 0.02 0.00 0.00 56.10 55.84 1ffu s TRP 91 Cb 0.19 -0.29 -0.02 0.00 -1.15 0.00 0.00 33.47 32.19 1ffu s TRP 91 CO 0.53 -0.11 -0.07 0.00 0.02 0.00 0.00 176.95 177.31 1ffu s MET 92 N -1.34 0.52 0.58 4.98 0.23 0.23 -4.83 119.30 119.66 1ffu s MET 92 Ca -0.11 -0.77 -0.17 0.00 -1.03 0.00 0.00 55.69 53.61 1ffu s MET 92 Cb -0.09 -0.24 -0.04 0.00 -1.53 0.00 0.00 34.83 32.93 1ffu s MET 92 CO -0.00 0.04 1.07 -1.25 -2.03 0.00 0.00 175.02 172.85 1ffu s PRO 93 N -1.67 3.33 0.33 3.16 0.04 -1.26 -0.84 135.00 138.09 1ffu s PRO 93 Ca -0.10 1.33 0.10 0.00 0.04 0.00 0.00 61.00 62.37 1ffu s PRO 93 Cb -0.09 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 1ffu s PRO 93 CO -0.00 -0.82 -0.06 0.95 0.04 0.00 0.00 177.00 177.11 1ffu s THR 94 N -2.24 2.52 -0.29 1.26 -4.23 -0.27 -4.81 115.64 107.57 1ffu s THR 94 Ca 0.66 -2.13 0.25 0.00 -1.18 0.00 0.00 61.69 59.29 1ffu s THR 94 Cb -0.18 -2.66 0.26 0.00 1.34 0.00 0.00 72.50 71.26 1ffu s THR 94 CO 0.33 -0.25 1.75 -0.07 -0.54 0.00 0.00 174.62 175.84 1ffu h LEU 95 N 1.97 0.00 -1.75 4.79 3.38 -1.85 -1.49 115.31 120.36 1ffu h LEU 95 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1ffu h LEU 95 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1ffu h LEU 95 CO 0.66 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.19 1ffu n ALA 96 N -1.81 2.45 -1.00 1.53 0.00 -1.25 -4.52 120.51 115.91 1ffu n ALA 96 Ca 0.01 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.64 1ffu n ALA 96 Cb 0.17 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1ffu n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ffu n GLY 97 N 1.30 0.58 1.27 0.00 0.00 -0.56 -4.90 105.19 102.89 1ffu n GLY 97 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 1ffu n GLY 97 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ffu n ASP 98 N -0.03 1.10 -4.11 1.61 2.03 -1.26 -4.64 116.55 111.25 1ffu n ASP 98 Ca 0.00 -1.56 -0.24 0.00 0.52 0.00 0.00 54.79 53.51 1ffu n ASP 98 Cb 0.01 -0.08 -0.16 0.00 -0.72 0.00 0.00 41.12 40.18 1ffu n ASP 98 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1ffu s VAL 99 N -0.51 1.26 -0.01 5.18 -7.23 -1.26 -1.11 120.40 116.72 1ffu s VAL 99 Ca 0.16 -0.64 0.07 0.00 -1.81 0.00 0.00 61.98 59.76 1ffu s VAL 99 Cb -0.01 -1.08 -0.02 0.00 0.56 0.00 0.00 36.38 35.82 1ffu s VAL 99 CO 0.10 0.37 -0.23 0.00 -0.31 0.00 0.00 175.10 175.02 1ffu s ALA 100 N -0.04 2.32 0.12 1.32 0.00 -0.02 -4.71 121.76 120.75 1ffu s ALA 100 Ca -0.01 -1.13 -0.31 0.00 0.00 0.00 0.00 51.96 50.52 1ffu s ALA 100 Cb -0.09 -0.64 -0.07 0.00 0.00 0.00 0.00 23.12 22.32 1ffu s ALA 100 CO 0.01 0.54 1.31 0.00 0.00 0.00 0.00 175.76 177.62 1ffu s ALA 101 N -0.70 3.51 -0.09 0.00 0.00 -1.26 -0.60 121.76 122.62 1ffu s ALA 101 Ca 0.11 1.03 -0.25 0.00 0.00 0.00 0.00 51.96 52.84 1ffu s ALA 101 Cb -0.10 -3.49 -0.28 0.00 0.00 0.00 0.00 23.12 19.25 1ffu s ALA 101 CO 0.00 -0.53 0.85 0.28 0.00 0.00 0.00 175.76 176.37 1ffu h VAL 102 N 4.20 1.65 -3.38 0.00 2.07 -1.08 -3.45 116.25 116.26 1ffu h VAL 102 Ca -0.43 -2.40 -0.38 0.00 0.82 0.00 0.00 66.70 64.31 1ffu h VAL 102 Cb 1.21 3.26 -0.36 0.00 -1.52 0.00 0.00 31.29 33.88 1ffu h VAL 102 CO 0.82 0.65 -0.75 -0.76 0.02 0.00 0.00 177.57 177.55 1ffu s LEU 103 N -8.10 0.78 0.05 2.57 1.43 -1.23 -4.74 118.68 109.45 1ffu s LEU 103 Ca -0.16 -0.03 -0.37 0.00 -1.03 0.00 0.00 54.13 52.54 1ffu s LEU 103 Cb -0.01 -0.28 -0.16 0.00 0.03 0.00 0.00 46.19 45.77 1ffu s LEU 103 CO 0.76 -0.16 1.42 0.00 0.23 0.00 0.00 176.35 178.60 1ffu n ALA 104 N 4.69 -0.62 -1.30 4.21 0.00 0.03 -4.63 120.51 122.88 1ffu n ALA 104 Ca -0.15 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1ffu n ALA 104 Cb 0.50 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1ffu n ALA 104 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ffu n ASP 105 N 3.00 0.00 0.12 0.00 2.03 -1.26 -4.50 116.55 115.95 1ffu n ASP 105 Ca 0.19 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.54 1ffu n ASP 105 Cb 0.20 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.61 1ffu n ASP 105 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1ffu h GLU 106 N 0.00 0.00 -2.96 -0.67 5.08 -1.92 -3.43 114.58 110.67 1ffu h GLU 106 Ca 0.00 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1ffu h GLU 106 Cb 0.00 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.17 1ffu h GLU 106 CO 0.00 0.37 0.24 -1.59 -1.00 0.00 0.00 179.01 177.02 1ffu s LYS 107 N -3.01 1.59 -0.13 2.33 -2.85 -1.26 -1.03 119.74 115.37 1ffu s LYS 107 Ca 0.03 -0.80 -0.06 0.00 -1.00 0.00 0.00 55.97 54.14 1ffu s LYS 107 Cb 0.08 0.59 -0.04 0.00 -2.06 0.00 0.00 37.83 36.40 1ffu s LYS 107 CO 0.75 -0.72 0.07 0.14 0.10 0.00 0.00 175.35 175.70 1ffu s VAL 108 N -3.83 4.93 -0.63 1.79 -7.23 0.20 -4.74 120.40 110.89 1ffu s VAL 108 Ca 0.08 0.00 0.21 0.00 -1.81 0.00 0.00 61.98 60.45 1ffu s VAL 108 Cb -0.04 -3.15 -0.26 0.00 0.56 0.00 0.00 36.38 33.48 1ffu s VAL 108 CO 0.00 0.56 0.72 1.41 -0.31 0.00 0.00 175.10 177.49 1ffu n HIS 109 N 2.54 0.00 -3.55 2.82 -0.00 -1.26 -2.60 115.22 113.17 1ffu n HIS 109 Ca -0.18 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.36 1ffu n HIS 109 Cb 0.54 -0.17 -0.06 0.00 -0.00 0.00 0.00 29.99 30.29 1ffu n HIS 109 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 1ffu s PHE 110 N -3.13 -0.67 0.39 4.41 -0.71 -0.75 -3.96 117.98 113.57 1ffu s PHE 110 Ca 0.02 1.23 -0.28 0.00 -1.04 0.00 0.00 56.93 56.87 1ffu s PHE 110 Cb 0.15 0.38 -0.11 0.00 -1.21 0.00 0.00 43.02 42.23 1ffu s PHE 110 CO 0.85 -0.56 1.49 -1.14 -1.34 0.00 0.00 175.22 174.52 1ffu s GLN 111 N -0.93 4.02 0.00 1.99 0.74 -1.18 -2.11 119.66 122.19 1ffu s GLN 111 Ca -0.09 2.57 0.00 0.00 0.05 0.00 0.00 55.36 57.89 1ffu s GLN 111 Cb -0.01 -2.91 0.00 0.00 1.10 0.00 0.00 33.01 31.19 1ffu s GLN 111 CO 0.08 -0.61 0.00 -1.33 -0.55 0.00 0.00 175.29 172.89 1ffu n MET 112 N 0.32 0.00 -2.13 1.67 2.81 -0.19 -4.84 117.12 114.76 1ffu n MET 112 Ca 0.02 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.53 1ffu n MET 112 Cb 0.39 -2.45 0.00 0.00 -0.71 0.00 0.00 33.22 30.46 1ffu n MET 112 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1ffu s GLN 113 N -0.11 3.63 -0.09 0.03 0.74 -0.90 -4.48 119.66 118.49 1ffu s GLN 113 Ca 0.00 1.92 -0.29 0.00 0.05 0.00 0.00 55.36 57.03 1ffu s GLN 113 Cb 0.00 -2.40 -0.05 0.00 1.10 0.00 0.00 33.01 31.66 1ffu s GLN 113 CO 0.00 -0.70 1.67 -1.21 -0.55 0.00 0.00 175.29 174.51 1ffu s GLU 114 N -2.70 4.06 -0.17 1.67 8.01 -1.26 -0.79 118.70 127.52 1ffu s GLU 114 Ca 0.65 2.08 0.02 0.00 0.01 0.00 0.00 54.97 57.73 1ffu s GLU 114 Cb -0.32 -4.02 -0.11 0.00 -4.31 0.00 0.00 34.13 25.37 1ffu s GLU 114 CO 0.39 -0.99 -0.14 0.28 0.01 0.00 0.00 175.26 174.82 1ffu n VAL 115 N 5.76 0.96 -3.76 2.63 0.31 0.43 -0.79 118.33 123.87 1ffu n VAL 115 Ca 0.18 -0.38 -0.09 0.00 -0.01 0.00 0.00 64.34 64.04 1ffu n VAL 115 Cb 0.43 -1.07 -0.03 0.00 -0.91 0.00 0.00 33.84 32.27 1ffu n VAL 115 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ffu s ALA 116 N -2.34 -1.06 0.15 3.52 0.00 -1.10 -4.41 121.76 116.54 1ffu s ALA 116 Ca -0.22 -0.22 0.06 0.00 0.00 0.00 0.00 51.96 51.58 1ffu s ALA 116 Cb 0.06 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 24.01 1ffu s ALA 116 CO 0.40 -0.89 -0.12 0.96 0.00 0.00 0.00 175.76 176.11 1ffu s ILE 117 N -3.89 1.36 0.05 0.00 -4.36 -0.48 0.19 121.20 114.07 1ffu s ILE 117 Ca 0.10 -1.99 0.05 0.00 -0.26 0.00 0.00 60.65 58.55 1ffu s ILE 117 Cb -0.03 -1.80 -0.02 0.00 1.25 0.00 0.00 42.46 41.86 1ffu s ILE 117 CO 0.00 -0.60 -0.14 0.68 0.24 0.00 0.00 174.94 175.12 1ffu s VAL 118 N -2.86 1.12 -0.16 8.37 -7.23 -0.07 -1.68 120.40 117.88 1ffu s VAL 118 Ca 0.16 -1.12 0.01 0.00 -1.81 0.00 0.00 61.98 59.21 1ffu s VAL 118 Cb -0.01 -1.04 0.02 0.00 0.56 0.00 0.00 36.38 35.92 1ffu s VAL 118 CO 0.03 -0.08 -0.16 -0.63 -0.31 0.00 0.00 175.10 173.95 1ffu s ILE 119 N -1.01 1.75 0.30 -0.62 -1.09 0.32 -1.89 121.20 118.96 1ffu s ILE 119 Ca 0.00 -0.78 0.03 0.00 -2.23 0.00 0.00 60.65 57.67 1ffu s ILE 119 Cb -0.09 -1.63 -0.04 0.00 -1.58 0.00 0.00 42.46 39.12 1ffu s ILE 119 CO 0.02 0.46 0.14 0.00 -1.23 0.00 0.00 174.94 174.33 1ffu s ALA 120 N 1.41 1.96 0.45 9.38 0.00 0.11 0.33 121.76 135.39 1ffu s ALA 120 Ca 0.04 -1.76 0.11 0.00 0.00 0.00 0.00 51.96 50.36 1ffu s ALA 120 Cb -0.13 1.10 1.01 0.00 0.00 0.00 0.00 23.12 25.10 1ffu s ALA 120 CO -0.11 -0.49 2.07 -0.44 0.00 0.00 0.00 175.76 176.79 1ffu h ASP 121 N 2.23 0.32 -5.25 0.00 3.32 -1.57 0.18 116.42 115.65 1ffu h ASP 121 Ca -0.35 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.57 1ffu h ASP 121 Cb 1.25 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.68 1ffu h ASP 121 CO 0.54 0.22 0.05 1.51 -1.72 0.00 0.00 179.24 179.84 1ffu s ASP 122 N -6.70 0.40 0.47 6.45 1.47 -1.26 -4.43 116.67 113.08 1ffu s ASP 122 Ca -0.07 -1.27 0.26 0.00 1.18 0.00 0.00 52.55 52.65 1ffu s ASP 122 Cb 0.18 0.75 1.12 0.00 -0.34 0.00 0.00 42.92 44.62 1ffu s ASP 122 CO 0.72 -1.48 1.91 0.08 0.68 0.00 0.00 175.17 177.08 1ffu h ARG 123 N 2.06 0.00 0.21 2.11 0.11 -1.90 -1.23 114.38 115.75 1ffu h ARG 123 Ca -0.30 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.77 1ffu h ARG 123 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 1ffu h ARG 123 CO 0.39 0.18 -0.10 1.88 0.10 0.00 0.00 179.97 182.41 1ffu h TYR 124 N 0.00 -0.27 -0.73 4.08 -1.99 -1.99 -1.85 116.97 114.23 1ffu h TYR 124 Ca -0.00 -0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.67 1ffu h TYR 124 Cb 0.61 0.09 -0.03 0.00 2.00 0.00 0.00 36.73 39.40 1ffu h TYR 124 CO 0.00 0.13 0.26 0.82 -0.00 0.00 0.00 178.16 179.36 1ffu h ILE 125 N -0.84 1.25 -0.94 -2.88 2.04 -1.97 -2.45 117.51 111.73 1ffu h ILE 125 Ca -0.03 -0.84 0.09 0.00 1.00 0.00 0.00 64.86 65.07 1ffu h ILE 125 Cb 0.51 0.42 -0.07 0.00 -0.74 0.00 0.00 36.82 36.95 1ffu h ILE 125 CO 0.05 0.34 0.60 0.00 0.00 0.00 0.00 178.15 179.14 1ffu h ALA 126 N 1.21 1.54 -0.34 1.87 0.00 -1.23 0.11 119.26 122.41 1ffu h ALA 126 Ca 0.24 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 1ffu h ALA 126 Cb 0.26 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1ffu h ALA 126 CO -0.01 0.29 -0.32 0.00 0.00 0.00 0.00 179.25 179.20 1ffu h ALA 127 N 1.52 0.79 -0.56 0.00 0.00 -0.87 -2.61 119.26 117.54 1ffu h ALA 127 Ca 0.42 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1ffu h ALA 127 Cb 0.32 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1ffu h ALA 127 CO -0.18 0.65 -0.00 -0.44 0.00 0.00 0.00 179.25 179.27 1ffu h ASP 128 N 0.63 0.93 -0.43 0.00 3.32 -0.76 -2.75 116.42 117.36 1ffu h ASP 128 Ca 0.07 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 1ffu h ASP 128 Cb 0.85 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 1ffu h ASP 128 CO 0.07 0.99 0.18 0.00 -1.72 0.00 0.00 179.24 178.76 1ffu h ALA 129 N 1.11 1.41 -0.28 3.45 0.00 -0.82 -1.95 119.26 122.19 1ffu h ALA 129 Ca 0.16 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1ffu h ALA 129 Cb 0.52 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ffu h ALA 129 CO 0.03 0.44 -0.24 0.28 0.00 0.00 0.00 179.25 179.76 1ffu h VAL 130 N 0.68 1.27 0.00 0.00 2.07 -1.18 -2.43 116.25 116.65 1ffu h VAL 130 Ca 0.16 -1.28 -0.08 0.00 0.82 0.00 0.00 66.70 66.33 1ffu h VAL 130 Cb 0.16 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1ffu h VAL 130 CO -0.01 0.41 -0.38 -0.33 0.02 0.00 0.00 177.57 177.28 1ffu h GLU 131 N 0.48 0.00 0.00 1.57 4.39 -1.24 -3.04 114.58 116.73 1ffu h GLU 131 Ca 0.07 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.72 1ffu h GLU 131 Cb 0.68 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1ffu h GLU 131 CO 0.05 0.38 -0.24 0.00 -1.16 0.00 0.00 179.01 178.03 1ffu h ALA 132 N 1.62 0.85 -1.85 3.43 0.00 -0.95 -3.43 119.26 118.93 1ffu h ALA 132 Ca -0.00 -0.22 -0.57 0.00 0.00 0.00 0.00 54.91 54.12 1ffu h ALA 132 Cb 0.95 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 1ffu h ALA 132 CO 0.05 0.30 0.86 0.08 0.00 0.00 0.00 179.25 180.54 1ffu s VAL 133 N -3.12 4.37 -0.14 0.00 1.01 -0.95 -4.45 120.40 117.12 1ffu s VAL 133 Ca 0.05 1.44 -0.07 0.00 0.00 0.00 0.00 61.98 63.40 1ffu s VAL 133 Cb 0.06 -4.50 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 1ffu s VAL 133 CO 0.70 -0.74 0.12 -0.54 0.00 0.00 0.00 175.10 174.64 1ffu s LYS 134 N 4.01 3.63 -0.06 2.72 1.02 -1.20 -4.95 119.74 124.90 1ffu s LYS 134 Ca 0.46 -0.20 0.02 0.00 0.02 0.00 0.00 55.97 56.28 1ffu s LYS 134 Cb -0.10 -3.21 0.01 0.00 -0.52 0.00 0.00 37.83 34.01 1ffu s LYS 134 CO 0.23 0.61 -0.12 0.08 -0.92 0.00 0.00 175.35 175.24 1ffu s VAL 135 N -0.56 1.09 -0.16 3.17 1.01 -1.26 -0.68 120.40 123.01 1ffu s VAL 135 Ca 0.12 -0.47 -0.09 0.00 0.00 0.00 0.00 61.98 61.54 1ffu s VAL 135 Cb -0.12 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 1ffu s VAL 135 CO 0.02 0.34 0.16 -1.61 0.00 0.00 0.00 175.10 174.01 1ffu s GLU 136 N 0.57 3.90 0.24 2.72 2.02 -0.42 -5.00 118.70 122.73 1ffu s GLU 136 Ca -0.12 -0.14 0.06 0.00 0.02 0.00 0.00 54.97 54.79 1ffu s GLU 136 Cb -0.15 -3.33 -0.05 0.00 0.10 0.00 0.00 34.13 30.70 1ffu s GLU 136 CO 0.03 0.49 -0.09 0.71 0.02 0.00 0.00 175.26 176.42 1ffu s TYR 137 N -0.20 1.76 -0.45 1.61 2.02 -1.26 -1.08 117.35 119.75 1ffu s TYR 137 Ca 0.12 -0.69 0.03 0.00 -0.37 0.00 0.00 57.07 56.16 1ffu s TYR 137 Cb -0.12 -0.93 0.12 0.00 -0.40 0.00 0.00 41.96 40.63 1ffu s TYR 137 CO 0.01 0.25 0.20 -0.51 -1.57 0.00 0.00 175.55 173.94 1ffu s ASP 138 N -3.36 4.22 0.19 2.29 1.01 -0.92 -4.90 116.67 115.20 1ffu s ASP 138 Ca 0.26 -2.65 -0.33 0.00 0.71 0.00 0.00 52.55 50.54 1ffu s ASP 138 Cb 0.02 -1.43 -0.14 0.00 1.01 0.00 0.00 42.92 42.38 1ffu s ASP 138 CO 0.09 -0.28 1.44 -0.62 0.21 0.00 0.00 175.17 176.01 1ffu n GLU 139 N 3.57 1.93 -4.41 8.23 1.02 -1.26 -2.37 120.64 127.36 1ffu n GLU 139 Ca 0.05 0.69 -0.24 0.00 -0.02 0.00 0.00 57.16 57.65 1ffu n GLU 139 Cb 0.35 -2.38 -0.09 0.00 -0.02 0.00 0.00 31.44 29.31 1ffu n GLU 139 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ffu s LEU 140 N 0.46 2.81 0.23 -4.62 1.43 -0.20 -4.93 118.68 113.85 1ffu s LEU 140 Ca 0.74 -0.91 -0.32 0.00 -1.03 0.00 0.00 54.13 52.61 1ffu s LEU 140 Cb -0.70 -1.31 -0.13 0.00 0.03 0.00 0.00 46.19 44.09 1ffu s LEU 140 CO 0.45 0.00 1.58 -0.81 0.23 0.00 0.00 176.35 177.81 1ffu n PRO 141 N -0.74 2.45 -3.46 1.29 -0.04 -1.26 -4.67 135.00 128.57 1ffu n PRO 141 Ca -0.05 0.88 -0.36 0.00 -0.04 0.00 0.00 63.50 63.93 1ffu n PRO 141 Cb 0.60 -2.65 -0.06 0.00 -0.04 0.00 0.00 33.50 31.36 1ffu n PRO 141 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ffu s VAL 142 N 0.46 4.97 -0.29 0.52 1.01 -1.26 -4.90 120.40 120.91 1ffu s VAL 142 Ca 0.71 0.72 -0.04 0.00 0.00 0.00 0.00 61.98 63.36 1ffu s VAL 142 Cb -0.57 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.13 1ffu s VAL 142 CO 0.42 0.35 0.03 -0.69 0.00 0.00 0.00 175.10 175.22 1ffu s VAL 143 N -1.33 3.45 -0.12 2.92 1.01 -1.26 -4.95 120.40 120.11 1ffu s VAL 143 Ca 0.32 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 1ffu s VAL 143 Cb -0.15 -2.85 -0.06 0.00 0.00 0.00 0.00 36.38 33.32 1ffu s VAL 143 CO 0.17 0.02 -0.13 -0.38 0.00 0.00 0.00 175.10 174.78 1ffu n ILE 144 N 4.75 0.66 -3.06 2.22 -0.00 -1.26 -1.04 119.36 121.63 1ffu n ILE 144 Ca -0.14 -0.20 -0.40 0.00 -0.00 0.00 0.00 62.75 62.01 1ffu n ILE 144 Cb 0.46 -1.33 -0.05 0.00 -0.00 0.00 0.00 39.64 38.72 1ffu n ILE 144 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1ffu s ASP 145 N -5.65 6.93 0.43 4.38 2.15 -1.26 -4.92 116.67 118.72 1ffu s ASP 145 Ca -0.16 1.12 0.17 0.00 0.43 0.00 0.00 52.55 54.10 1ffu s ASP 145 Cb 0.05 -2.40 1.08 0.00 -0.30 0.00 0.00 42.92 41.35 1ffu s ASP 145 CO 0.23 -0.15 1.91 -0.65 -0.17 0.00 0.00 175.17 176.34 1ffu h PRO 146 N 6.89 0.38 -0.11 4.34 0.11 -1.94 -2.28 132.00 139.40 1ffu h PRO 146 Ca -0.39 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.67 1ffu h PRO 146 Cb 1.18 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1ffu h PRO 146 CO 0.76 0.25 -0.06 0.82 -0.21 0.00 0.00 178.00 179.57 1ffu h ILE 147 N 0.39 1.32 0.00 4.15 2.04 -1.99 -2.96 117.51 120.47 1ffu h ILE 147 Ca 0.39 -1.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.14 1ffu h ILE 147 Cb 0.93 1.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.84 1ffu h ILE 147 CO -0.12 0.31 -0.09 0.44 0.00 0.00 0.00 178.15 178.68 1ffu h ASP 148 N -0.14 0.00 0.08 1.72 3.32 -1.87 -2.28 116.42 117.25 1ffu h ASP 148 Ca 0.02 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 1ffu h ASP 148 Cb 0.52 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1ffu h ASP 148 CO 0.02 0.09 -0.17 0.00 -1.72 0.00 0.00 179.24 177.46 1ffu h ALA 149 N 1.91 1.50 -0.00 3.45 0.00 -1.25 -2.94 119.26 121.93 1ffu h ALA 149 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1ffu h ALA 149 Cb 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ffu h ALA 149 CO 0.01 0.36 -0.35 1.28 0.00 0.00 0.00 179.25 180.55 1ffu n LEU 150 N -4.26 0.40 -4.74 0.00 4.77 -0.86 -4.62 117.00 107.69 1ffu n LEU 150 Ca -0.01 0.11 -0.39 0.00 -0.03 0.00 0.00 56.01 55.69 1ffu n LEU 150 Cb 0.29 -0.30 0.04 0.00 -2.33 0.00 0.00 43.42 41.11 1ffu n LEU 150 CO 0.38 0.10 0.99 0.29 -1.33 0.00 0.00 177.39 177.82 1ffu n LYS 151 N -1.44 1.79 -0.32 3.23 5.02 -1.11 -4.89 118.16 120.44 1ffu n LYS 151 Ca 0.07 0.65 0.17 0.00 -2.02 0.00 0.00 58.31 57.18 1ffu n LYS 151 Cb 0.33 -2.58 0.42 0.00 -0.02 0.00 0.00 35.03 33.18 1ffu n LYS 151 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1ffu h PRO 152 N 1.59 0.56 -0.63 1.97 0.11 -1.91 -1.40 132.00 132.29 1ffu h PRO 152 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1ffu h PRO 152 Cb 1.30 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1ffu h PRO 152 CO 0.58 0.37 0.00 -0.40 -0.21 0.00 0.00 178.00 178.34 1ffu n ASP 153 N -4.68 3.95 -4.76 -2.05 5.75 -1.26 -4.96 116.55 108.54 1ffu n ASP 153 Ca 0.23 -2.41 -0.41 0.00 -0.01 0.00 0.00 54.79 52.19 1ffu n ASP 153 Cb 0.69 -0.53 -0.03 0.00 -1.03 0.00 0.00 41.12 40.22 1ffu n ASP 153 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ffu s ALA 154 N -1.89 3.49 0.65 2.12 0.00 -0.53 -4.97 121.76 120.63 1ffu s ALA 154 Ca 0.40 1.15 -0.18 0.00 0.00 0.00 0.00 51.96 53.33 1ffu s ALA 154 Cb 0.27 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.93 1ffu s ALA 154 CO 0.18 -0.52 1.29 -0.35 0.00 0.00 0.00 175.76 176.36 1ffu n PRO 155 N 1.28 1.09 -2.60 0.00 -0.04 -1.26 -4.94 135.00 128.53 1ffu n PRO 155 Ca 0.01 0.43 -0.42 0.00 -0.04 0.00 0.00 63.50 63.48 1ffu n PRO 155 Cb 0.43 -2.53 -0.03 0.00 -0.04 0.00 0.00 33.50 31.33 1ffu n PRO 155 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ffu s VAL 156 N -1.41 4.00 -0.09 0.52 1.01 -1.26 -4.90 120.40 118.27 1ffu s VAL 156 Ca 0.83 0.77 -0.18 0.00 0.00 0.00 0.00 61.98 63.39 1ffu s VAL 156 Cb -0.38 -4.75 -0.15 0.00 0.00 0.00 0.00 36.38 31.11 1ffu s VAL 156 CO 0.40 -1.41 0.62 -0.07 0.00 0.00 0.00 175.10 174.65 1ffu h LEU 157 N 12.03 -0.09 -7.49 3.92 3.38 -1.92 -3.39 115.31 121.76 1ffu h LEU 157 Ca -0.26 -0.44 -0.76 0.00 0.09 0.00 0.00 57.88 56.51 1ffu h LEU 157 Cb 1.06 0.02 -0.21 0.00 0.09 0.00 0.00 40.66 41.62 1ffu h LEU 157 CO 1.20 0.57 1.16 0.54 0.09 0.00 0.00 178.44 182.00 1ffu n ARG 158 N -4.80 3.51 0.18 1.13 5.12 -1.26 -4.78 116.66 115.76 1ffu n ARG 158 Ca -0.06 -4.02 0.14 0.00 -1.93 0.00 0.00 57.85 51.97 1ffu n ARG 158 Cb 0.26 -2.87 0.62 0.00 -1.16 0.00 0.00 32.46 29.32 1ffu n ARG 158 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1ffu h GLU 159 N 6.74 0.00 0.00 5.56 5.08 -1.97 -1.66 114.58 128.33 1ffu h GLU 159 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1ffu h GLU 159 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1ffu h GLU 159 CO 1.23 0.00 0.00 0.38 -1.00 0.00 0.00 179.01 179.62 1ffu h ASP 160 N 0.00 0.00 -0.47 1.42 2.03 -1.97 -3.12 116.42 114.31 1ffu h ASP 160 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1ffu h ASP 160 Cb 0.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.76 1ffu h ASP 160 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 179.24 178.39 1ffu n LEU 161 N -2.88 3.52 -4.65 0.15 4.77 -0.63 -5.01 117.00 112.27 1ffu n LEU 161 Ca 0.04 -1.67 -0.46 0.00 -0.03 0.00 0.00 56.01 53.88 1ffu n LEU 161 Cb 0.45 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1ffu n LEU 161 CO 0.31 0.80 0.96 0.00 -1.33 0.00 0.00 177.39 178.14 1ffu n ALA 162 N 1.43 0.63 0.00 -1.18 0.00 -1.18 -2.09 120.51 118.13 1ffu n ALA 162 Ca 0.20 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1ffu n ALA 162 Cb 0.59 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1ffu n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ffu n GLY 163 N 2.25 3.13 3.75 0.00 0.00 -1.26 -5.03 105.19 108.03 1ffu n GLY 163 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1ffu n GLY 163 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ffu s LYS 164 N -0.46 4.66 0.00 1.61 1.02 -0.89 -4.95 119.74 120.74 1ffu s LYS 164 Ca 0.00 1.75 0.10 0.00 0.02 0.00 0.00 55.97 57.84 1ffu s LYS 164 Cb 0.00 -3.22 0.07 0.00 -0.52 0.00 0.00 37.83 34.16 1ffu s LYS 164 CO 0.00 0.22 0.78 0.25 -0.92 0.00 0.00 175.35 175.68 1ffu n THR 165 N 1.45 0.00 -3.81 2.17 -2.24 -1.26 -4.92 114.28 105.66 1ffu n THR 165 Ca -0.01 -0.49 -0.12 0.00 -2.27 0.00 0.00 64.05 61.16 1ffu n THR 165 Cb 0.45 1.19 -0.10 0.00 -2.10 0.00 0.00 70.33 69.77 1ffu n THR 165 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ffu s SER 166 N -0.88 -0.14 0.00 3.42 1.04 -1.26 -1.07 113.70 114.81 1ffu s SER 166 Ca 0.11 0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1ffu s SER 166 Cb 0.08 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1ffu s SER 166 CO 0.14 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1ffu n GLY 167 N 2.08 3.90 0.29 7.32 0.00 -0.57 -4.88 105.19 113.33 1ffu n GLY 167 Ca -0.18 -1.83 0.13 0.00 0.00 0.00 0.00 46.02 44.13 1ffu n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ffu n ALA 168 N -3.00 3.16 -2.22 4.61 0.00 -1.26 -4.19 120.51 117.61 1ffu n ALA 168 Ca 0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 53.44 52.92 1ffu n ALA 168 Cb 0.00 -1.08 0.07 0.00 0.00 0.00 0.00 19.45 18.44 1ffu n ALA 168 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ffu n HIS 169 N -0.54 1.37 0.00 0.00 8.25 -1.26 -5.04 115.22 118.00 1ffu n HIS 169 Ca 0.12 -1.79 0.00 0.00 -0.26 0.00 0.00 57.72 55.78 1ffu n HIS 169 Cb 0.37 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.21 1ffu n HIS 169 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ffu n GLY 170 N -0.59 -1.73 3.77 -1.41 0.00 -1.26 -4.56 105.19 99.41 1ffu n GLY 170 Ca 0.23 -2.18 -0.35 0.00 0.00 0.00 0.00 46.02 43.72 1ffu n GLY 170 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ffu s PRO 171 N -0.52 3.33 -0.18 1.61 0.04 -1.26 -1.51 135.00 136.51 1ffu s PRO 171 Ca 0.00 1.65 -0.03 0.00 0.04 0.00 0.00 61.00 62.66 1ffu s PRO 171 Cb 0.00 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 1ffu s PRO 171 CO 0.00 -0.88 -0.06 1.03 0.04 0.00 0.00 177.00 177.13 1ffu s ARG 172 N -3.26 3.46 0.00 4.56 0.52 -0.23 -4.67 118.95 119.33 1ffu s ARG 172 Ca 0.73 -0.61 0.26 0.00 -0.52 0.00 0.00 55.73 55.59 1ffu s ARG 172 Cb -0.25 -2.90 0.66 0.00 0.52 0.00 0.00 34.95 32.98 1ffu s ARG 172 CO 0.28 0.01 1.51 -0.85 0.02 0.00 0.00 175.30 176.27 1ffu n GLU 173 N 4.17 0.41 -3.52 3.54 0.28 -1.26 -4.76 120.64 119.51 1ffu n GLU 173 Ca -0.18 -0.23 -0.12 0.00 -0.16 0.00 0.00 57.16 56.47 1ffu n GLU 173 Cb 0.52 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.86 1ffu n GLU 173 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1ffu s HIS 174 N -2.75 -0.40 0.27 -1.84 5.04 -1.26 -5.01 115.29 109.34 1ffu s HIS 174 Ca 0.18 0.17 0.30 0.00 -1.54 0.00 0.00 55.06 54.16 1ffu s HIS 174 Cb 0.18 0.42 1.36 0.00 0.04 0.00 0.00 32.58 34.59 1ffu s HIS 174 CO 0.61 -0.78 2.00 1.12 -2.34 0.00 0.00 174.74 175.35 1ffu h HIS 175 N 2.20 0.00 -0.00 3.88 2.07 -1.93 -2.57 115.15 118.80 1ffu h HIS 175 Ca -0.34 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.18 1ffu h HIS 175 Cb 1.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.26 1ffu h HIS 175 CO 0.28 0.11 -0.79 0.09 -3.07 0.00 0.00 177.93 174.55 1ffu n ASN 176 N -3.37 1.27 -4.67 3.10 3.02 -1.26 -4.71 115.26 108.64 1ffu n ASN 176 Ca -0.01 -1.10 -0.43 0.00 -0.03 0.00 0.00 54.58 53.02 1ffu n ASN 176 Cb 0.30 0.77 -0.02 0.00 -0.61 0.00 0.00 39.78 40.21 1ffu n ASN 176 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1ffu s HIS 177 N -2.83 3.23 -0.08 3.10 2.46 -0.97 -0.45 115.29 119.75 1ffu s HIS 177 Ca 0.12 1.35 -0.13 0.00 0.47 0.00 0.00 55.06 56.86 1ffu s HIS 177 Cb 0.17 -3.33 -0.28 0.00 -0.13 0.00 0.00 32.58 29.00 1ffu s HIS 177 CO 0.76 -0.83 0.59 0.82 -2.47 0.00 0.00 174.74 173.61 1ffu h ILE 178 N 5.35 0.97 -1.22 0.89 2.04 -0.41 -3.43 117.51 121.69 1ffu h ILE 178 Ca -0.25 -2.44 0.38 0.00 1.00 0.00 0.00 64.86 63.56 1ffu h ILE 178 Cb 1.10 2.72 -0.13 0.00 -0.74 0.00 0.00 36.82 39.77 1ffu h ILE 178 CO 0.94 0.78 0.95 0.72 0.00 0.00 0.00 178.15 181.54 1ffu s PHE 179 N -2.52 -0.01 -0.03 1.37 -0.12 -1.21 -4.81 117.98 110.65 1ffu s PHE 179 Ca -0.19 -0.02 -0.01 0.00 -0.05 0.00 0.00 56.93 56.66 1ffu s PHE 179 Cb 0.05 0.51 0.03 0.00 -0.63 0.00 0.00 43.02 42.98 1ffu s PHE 179 CO 0.80 -0.08 0.05 0.99 -0.05 0.00 0.00 175.22 176.92 1ffu s THR 180 N -2.11 -0.09 0.05 -4.49 2.01 -1.26 -0.36 115.64 109.38 1ffu s THR 180 Ca 0.16 0.33 0.06 0.00 0.31 0.00 0.00 61.69 62.56 1ffu s THR 180 Cb 0.06 -0.12 -0.02 0.00 0.01 0.00 0.00 72.50 72.43 1ffu s THR 180 CO -0.06 0.14 -0.17 0.86 -0.69 0.00 0.00 174.62 174.70 1ffu s TRP 181 N 1.67 1.47 0.09 4.92 -0.00 0.01 -4.95 118.94 122.15 1ffu s TRP 181 Ca -0.01 -0.37 -0.05 0.00 -0.00 0.00 0.00 56.10 55.66 1ffu s TRP 181 Cb -0.12 -0.86 -0.02 0.00 -0.00 0.00 0.00 33.47 32.46 1ffu s TRP 181 CO -0.03 0.07 0.11 0.20 -0.00 0.00 0.00 176.95 177.30 1ffu s GLY 182 N -1.26 0.36 0.04 5.86 0.00 -1.26 -0.19 107.32 110.87 1ffu s GLY 182 Ca 0.04 -0.95 -0.16 0.00 0.00 0.00 0.00 44.72 43.65 1ffu s GLY 182 CO 0.02 -1.05 0.36 0.00 0.00 0.00 0.00 173.10 172.43 1ffu s ALA 183 N -3.91 -0.87 0.00 3.20 0.00 -0.99 -5.01 121.76 114.18 1ffu s ALA 183 Ca 0.09 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.26 1ffu s ALA 183 Cb 0.06 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.49 1ffu s ALA 183 CO -0.08 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.67 1ffu n GLY 184 N 0.61 -3.15 3.28 0.00 0.00 -1.26 -2.04 105.19 102.62 1ffu n GLY 184 Ca -0.19 -2.09 -0.44 0.00 0.00 0.00 0.00 46.02 43.29 1ffu n GLY 184 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ffu s ASP 185 N -1.80 6.17 0.08 1.61 -1.08 -0.64 -4.92 116.67 116.09 1ffu s ASP 185 Ca 0.00 -2.19 -0.20 0.00 -0.52 0.00 0.00 52.55 49.64 1ffu s ASP 185 Cb 0.00 -2.13 -0.10 0.00 -1.46 0.00 0.00 42.92 39.23 1ffu s ASP 185 CO 0.00 -0.69 1.60 0.50 0.52 0.00 0.00 175.17 177.10 1ffu h LYS 186 N 8.29 0.29 -0.34 4.34 3.64 -1.89 -1.35 116.57 129.55 1ffu h LYS 186 Ca -0.13 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.21 1ffu h LYS 186 Cb 1.06 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.81 1ffu h LYS 186 CO 0.88 0.39 0.16 0.00 -2.27 0.00 0.00 179.45 178.62 1ffu h ALA 187 N 0.88 0.41 -0.55 5.00 0.00 -1.98 0.18 119.26 123.21 1ffu h ALA 187 Ca 0.06 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1ffu h ALA 187 Cb 0.22 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1ffu h ALA 187 CO -0.00 -0.21 0.04 0.00 0.00 0.00 0.00 179.25 179.08 1ffu h ALA 188 N 1.18 0.74 -0.22 0.00 0.00 -1.97 -1.74 119.26 117.26 1ffu h ALA 188 Ca 0.14 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1ffu h ALA 188 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ffu h ALA 188 CO -0.10 0.53 -0.06 1.15 0.00 0.00 0.00 179.25 180.76 1ffu h THR 189 N 0.83 1.29 -0.86 0.00 2.02 -0.94 -1.04 112.91 114.20 1ffu h THR 189 Ca 0.16 -1.07 0.05 0.00 0.77 0.00 0.00 66.41 66.33 1ffu h THR 189 Cb 0.48 1.55 -0.05 0.00 -1.74 0.00 0.00 68.15 68.39 1ffu h THR 189 CO 0.02 0.33 0.56 0.44 0.37 0.00 0.00 175.52 177.24 1ffu h ASP 190 N 0.15 0.88 -0.38 4.18 3.32 -0.60 -1.21 116.42 122.74 1ffu h ASP 190 Ca 0.05 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 1ffu h ASP 190 Cb 0.52 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1ffu h ASP 190 CO 0.02 0.58 0.04 0.00 -1.72 0.00 0.00 179.24 178.16 1ffu h ALA 191 N 1.52 0.51 -0.06 3.45 0.00 -1.05 -2.30 119.26 121.33 1ffu h ALA 191 Ca 0.36 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ffu h ALA 191 Cb 0.15 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ffu h ALA 191 CO -0.13 0.24 0.04 0.28 0.00 0.00 0.00 179.25 179.68 1ffu h VAL 192 N 0.49 1.03 -0.63 0.00 2.07 -0.23 -2.63 116.25 116.35 1ffu h VAL 192 Ca 0.11 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.59 1ffu h VAL 192 Cb 0.40 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1ffu h VAL 192 CO 0.01 0.03 0.41 -0.26 0.02 0.00 0.00 177.57 177.78 1ffu h PHE 193 N 0.06 0.73 -0.05 1.57 0.04 -1.22 0.06 116.94 118.12 1ffu h PHE 193 Ca 0.02 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.76 1ffu h PHE 193 Cb 0.01 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 1ffu h PHE 193 CO -0.07 0.43 -0.21 0.00 -0.60 0.00 0.00 178.31 177.86 1ffu h ALA 194 N 1.63 1.56 -0.14 2.45 0.00 -1.05 -3.03 119.26 120.67 1ffu h ALA 194 Ca 0.25 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ffu h ALA 194 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ffu h ALA 194 CO -0.07 0.33 0.00 0.09 0.00 0.00 0.00 179.25 179.60 1ffu n ASN 195 N -4.25 2.41 -4.73 0.00 3.02 -0.73 -5.01 115.26 105.98 1ffu n ASN 195 Ca -0.02 -1.69 -0.42 0.00 -0.03 0.00 0.00 54.58 52.43 1ffu n ASN 195 Cb 0.29 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.35 1ffu n ASN 195 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ffu s ALA 196 N -1.08 3.46 0.29 5.41 0.00 -0.07 -4.94 121.76 124.83 1ffu s ALA 196 Ca 0.19 0.97 0.10 0.00 0.00 0.00 0.00 51.96 53.22 1ffu s ALA 196 Cb 0.12 -3.46 0.43 0.00 0.00 0.00 0.00 23.12 20.21 1ffu s ALA 196 CO 0.17 -0.46 1.66 -1.00 0.00 0.00 0.00 175.76 176.13 1ffu h PRO 197 N 6.08 0.04 -5.28 0.00 0.13 -1.91 -3.44 132.00 127.61 1ffu h PRO 197 Ca -0.43 -0.02 -0.57 0.00 -0.87 0.00 0.00 66.00 64.10 1ffu h PRO 197 Cb 1.21 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.03 1ffu h PRO 197 CO 0.79 0.58 -0.84 0.08 -0.23 0.00 0.00 178.00 178.38 1ffu s VAL 198 N -3.78 1.48 -0.03 1.56 1.01 -0.42 -4.96 120.40 115.26 1ffu s VAL 198 Ca -0.02 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.15 1ffu s VAL 198 Cb 0.13 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 35.24 1ffu s VAL 198 CO 0.76 0.43 0.17 -0.89 0.00 0.00 0.00 175.10 175.56 1ffu s THR 199 N 0.10 0.05 -0.00 3.92 2.01 -1.26 -0.39 115.64 120.06 1ffu s THR 199 Ca -0.06 -0.43 -0.03 0.00 0.31 0.00 0.00 61.69 61.49 1ffu s THR 199 Cb -0.12 -0.39 -0.00 0.00 0.01 0.00 0.00 72.50 71.99 1ffu s THR 199 CO 0.03 -0.23 0.06 0.68 -0.69 0.00 0.00 174.62 174.47 1ffu s VAL 200 N -0.85 0.06 -0.08 3.82 -7.23 -0.87 -5.01 120.40 110.24 1ffu s VAL 200 Ca -0.09 -0.51 -0.04 0.00 -1.81 0.00 0.00 61.98 59.52 1ffu s VAL 200 Cb -0.05 -0.26 0.04 0.00 0.56 0.00 0.00 36.38 36.66 1ffu s VAL 200 CO 0.01 -0.28 0.19 -0.94 -0.31 0.00 0.00 175.10 173.77 1ffu s SER 201 N -0.89 -0.18 0.00 4.85 1.04 -1.26 -1.42 113.70 115.84 1ffu s SER 201 Ca -0.10 0.39 0.01 0.00 0.48 0.00 0.00 55.95 56.73 1ffu s SER 201 Cb -0.06 0.30 -0.01 0.00 0.10 0.00 0.00 66.02 66.36 1ffu s SER 201 CO 0.00 -0.14 -0.04 -1.58 0.98 0.00 0.00 173.24 172.47 1ffu s GLN 202 N 1.00 0.29 -0.12 4.02 2.00 -0.33 -5.00 119.66 121.52 1ffu s GLN 202 Ca -0.07 -0.20 -0.06 0.00 -2.00 0.00 0.00 55.36 53.03 1ffu s GLN 202 Cb -0.09 -0.24 -0.04 0.00 0.80 0.00 0.00 33.01 33.44 1ffu s GLN 202 CO -0.06 0.06 0.09 -1.58 -0.50 0.00 0.00 175.29 173.30 1ffu s HIS 203 N -0.26 3.41 -0.10 1.67 5.65 -1.26 -1.47 115.29 122.92 1ffu s HIS 203 Ca -0.01 0.35 -0.11 0.00 0.25 0.00 0.00 55.06 55.55 1ffu s HIS 203 Cb -0.02 -1.93 0.03 0.00 -1.18 0.00 0.00 32.58 29.47 1ffu s HIS 203 CO -0.00 0.54 0.29 0.00 -0.65 0.00 0.00 174.74 174.92 1ffu s MET 204 N -0.69 0.38 -0.18 2.88 0.23 0.19 -5.01 119.30 117.11 1ffu s MET 204 Ca 0.12 0.34 -0.06 0.00 -1.03 0.00 0.00 55.69 55.06 1ffu s MET 204 Cb -0.12 0.18 -0.03 0.00 -1.53 0.00 0.00 34.83 33.33 1ffu s MET 204 CO 0.03 -0.05 0.02 -0.47 -2.03 0.00 0.00 175.02 172.51 1ffu s TYR 205 N -0.01 3.15 -0.65 3.16 5.04 -1.26 -0.57 117.35 126.20 1ffu s TYR 205 Ca -0.02 -0.11 -0.11 0.00 -2.44 0.00 0.00 57.07 54.39 1ffu s TYR 205 Cb -0.02 -2.04 0.17 0.00 0.35 0.00 0.00 41.96 40.41 1ffu s TYR 205 CO 0.01 0.04 0.56 -0.47 -1.34 0.00 0.00 175.55 174.35 1ffu s TYR 206 N 0.45 3.52 0.44 4.97 6.14 0.45 -4.45 117.35 128.87 1ffu s TYR 206 Ca 0.00 -1.96 -0.23 0.00 0.64 0.00 0.00 57.07 55.52 1ffu s TYR 206 Cb -0.13 -3.63 -0.10 0.00 0.42 0.00 0.00 41.96 38.52 1ffu s TYR 206 CO 0.01 -0.97 1.00 -0.35 0.64 0.00 0.00 175.55 175.88 1ffu n PRO 207 N 4.35 1.29 -2.00 4.97 -0.04 -1.26 -0.56 135.00 141.75 1ffu n PRO 207 Ca 0.02 0.47 -0.42 0.00 -0.04 0.00 0.00 63.50 63.53 1ffu n PRO 207 Cb 0.42 -2.05 -0.03 0.00 -0.04 0.00 0.00 33.50 31.80 1ffu n PRO 207 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1ffu s ARG 208 N -2.10 4.19 0.30 0.54 3.52 -1.26 -3.75 118.95 120.40 1ffu s ARG 208 Ca 0.65 2.21 0.03 0.00 -0.13 0.00 0.00 55.73 58.49 1ffu s ARG 208 Cb -0.54 -3.86 -0.06 0.00 -1.56 0.00 0.00 34.95 28.93 1ffu s ARG 208 CO 0.56 -0.80 0.08 0.14 -0.81 0.00 0.00 175.30 174.47 1ffu s VAL 209 N 3.57 0.87 -0.04 7.11 -7.23 -0.47 -2.71 120.40 121.49 1ffu s VAL 209 Ca 0.73 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.95 1ffu s VAL 209 Cb -0.35 -2.70 -0.01 0.00 0.56 0.00 0.00 36.38 33.88 1ffu s VAL 209 CO 0.30 0.00 -0.19 -2.28 -0.31 0.00 0.00 175.10 172.62 1ffu s HIS 210 N -3.50 1.86 0.46 2.82 2.46 -1.26 -0.03 115.29 118.11 1ffu s HIS 210 Ca 0.36 -0.52 0.16 0.00 0.47 0.00 0.00 55.06 55.54 1ffu s HIS 210 Cb 0.08 -1.24 1.12 0.00 -0.13 0.00 0.00 32.58 32.41 1ffu s HIS 210 CO 0.15 -0.16 2.00 -1.00 -2.47 0.00 0.00 174.74 173.26 1ffu h PRO 211 N 6.15 0.29 -6.86 2.88 0.13 -1.79 -3.47 132.00 129.32 1ffu h PRO 211 Ca -0.33 -0.02 -0.52 0.00 -0.87 0.00 0.00 66.00 64.26 1ffu h PRO 211 Cb 1.17 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1ffu h PRO 211 CO 0.48 0.19 -0.98 0.00 -0.23 0.00 0.00 178.00 177.46 1ffu s PRO 213 N -6.27 3.76 0.22 0.00 0.04 -1.26 -4.91 135.00 126.59 1ffu s PRO 213 Ca 0.27 1.99 -0.07 0.00 0.04 0.00 0.00 61.00 63.23 1ffu s PRO 213 Cb -0.15 -2.53 0.35 0.00 0.04 0.00 0.00 34.50 32.20 1ffu s PRO 213 CO 0.87 -0.61 1.75 1.25 0.04 0.00 0.00 177.00 180.31 1ffu h LEU 214 N 2.24 0.34 -9.35 -3.56 5.85 -1.90 -3.36 115.31 105.57 1ffu h LEU 214 Ca -0.50 0.08 -0.56 0.00 0.84 0.00 0.00 57.88 57.74 1ffu h LEU 214 Cb 1.25 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.26 1ffu h LEU 214 CO 0.61 0.18 0.05 -0.70 -0.34 0.00 0.00 178.44 178.24 1ffu s GLU 215 N -6.06 4.41 1.02 1.25 2.12 -1.13 -5.06 118.70 115.26 1ffu s GLU 215 Ca -0.13 0.80 -0.17 0.00 0.36 0.00 0.00 54.97 55.83 1ffu s GLU 215 Cb 0.18 -3.45 0.23 0.00 0.26 0.00 0.00 34.13 31.36 1ffu s GLU 215 CO 0.76 0.07 1.32 0.95 -0.54 0.00 0.00 175.26 177.82 1ffu s THR 216 N 0.81 1.94 0.54 -1.70 -4.23 -1.26 -4.84 115.64 106.90 1ffu s THR 216 Ca 0.35 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.70 1ffu s THR 216 Cb -0.17 -2.94 -0.06 0.00 1.34 0.00 0.00 72.50 70.67 1ffu s THR 216 CO 0.16 0.00 1.02 0.00 -0.54 0.00 0.00 174.62 175.26 1ffu n GLY 218 N -1.23 0.34 3.57 0.00 0.00 -1.26 -2.05 105.19 104.56 1ffu n GLY 218 Ca 0.08 -0.89 -0.07 0.00 0.00 0.00 0.00 46.02 45.13 1ffu n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ffu s VAL 220 N -3.20 1.46 0.08 0.00 1.01 -0.15 -0.60 120.40 119.01 1ffu s VAL 220 Ca 0.07 -2.00 -0.23 0.00 0.00 0.00 0.00 61.98 59.82 1ffu s VAL 220 Cb -0.01 -2.08 -0.07 0.00 0.00 0.00 0.00 36.38 34.23 1ffu s VAL 220 CO -0.06 -0.71 0.70 0.00 0.00 0.00 0.00 175.10 175.03 1ffu s ALA 221 N 1.06 3.47 -0.29 5.51 0.00 -0.25 -1.70 121.76 129.55 1ffu s ALA 221 Ca 0.12 0.21 -0.02 0.00 0.00 0.00 0.00 51.96 52.27 1ffu s ALA 221 Cb -0.20 -2.86 0.12 0.00 0.00 0.00 0.00 23.12 20.18 1ffu s ALA 221 CO -0.14 0.23 0.21 0.45 0.00 0.00 0.00 175.76 176.52 1ffu s SER 222 N -0.67 2.59 -0.20 0.00 0.15 0.12 -0.92 113.70 114.77 1ffu s SER 222 Ca 0.34 -1.03 -0.16 0.00 0.70 0.00 0.00 55.95 55.81 1ffu s SER 222 Cb -0.21 0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.15 1ffu s SER 222 CO 0.22 -0.41 0.40 0.12 1.20 0.00 0.00 173.24 174.77 1ffu s PHE 223 N 2.22 3.37 -0.52 3.44 5.36 -1.26 -0.96 117.98 129.64 1ffu s PHE 223 Ca 0.09 0.62 -0.16 0.00 -0.96 0.00 0.00 56.93 56.53 1ffu s PHE 223 Cb -0.15 -2.53 0.12 0.00 -0.34 0.00 0.00 43.02 40.12 1ffu s PHE 223 CO -0.35 -0.01 0.47 0.34 -1.46 0.00 0.00 175.22 174.21 1ffu s ASP 224 N 1.05 6.15 0.63 6.13 -1.08 -0.25 -4.25 116.67 125.05 1ffu s ASP 224 Ca 0.19 -1.70 0.37 0.00 -0.52 0.00 0.00 52.55 50.89 1ffu s ASP 224 Cb -0.15 -2.19 2.10 0.00 -1.46 0.00 0.00 42.92 41.22 1ffu s ASP 224 CO 0.08 -0.81 2.29 1.55 0.52 0.00 0.00 175.17 178.80 1ffu h PRO 225 N 8.84 0.00 0.00 4.34 0.13 -1.86 0.58 132.00 144.03 1ffu h PRO 225 Ca -0.29 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.79 1ffu h PRO 225 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1ffu h PRO 225 CO 1.00 0.00 -0.19 0.82 -0.23 0.00 0.00 178.00 179.39 1ffu h ILE 226 N 0.00 1.57 0.00 -3.56 2.04 -1.96 -3.30 117.51 112.30 1ffu h ILE 226 Ca 0.01 -1.94 0.00 0.00 1.00 0.00 0.00 64.86 63.92 1ffu h ILE 226 Cb 0.06 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 1ffu h ILE 226 CO -0.00 0.53 -0.49 0.11 0.00 0.00 0.00 178.15 178.29 1ffu h LYS 227 N -0.58 0.00 -0.26 2.37 1.57 -1.89 -3.48 116.57 114.31 1ffu h LYS 227 Ca -0.02 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1ffu h LYS 227 Cb 0.97 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 1ffu h LYS 227 CO 0.04 0.00 -0.06 0.41 -0.57 0.00 0.00 179.45 179.27 1ffu n GLY 228 N 1.17 0.43 3.19 3.86 0.00 0.20 -5.05 105.19 108.99 1ffu n GLY 228 Ca 0.02 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 1ffu n GLY 228 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ffu s ASP 229 N -2.93 1.36 -0.11 1.61 1.47 -1.15 -4.96 116.67 111.96 1ffu s ASP 229 Ca 0.00 -0.94 -0.02 0.00 1.18 0.00 0.00 52.55 52.77 1ffu s ASP 229 Cb 0.00 0.05 -0.03 0.00 -0.34 0.00 0.00 42.92 42.60 1ffu s ASP 229 CO 0.00 -0.37 -0.03 -0.22 0.68 0.00 0.00 175.17 175.23 1ffu s LEU 230 N -2.87 3.38 -0.12 2.11 2.96 -0.39 -1.09 118.68 122.67 1ffu s LEU 230 Ca 0.10 0.01 -0.00 0.00 -0.22 0.00 0.00 54.13 54.03 1ffu s LEU 230 Cb 0.02 -1.78 0.02 0.00 0.50 0.00 0.00 46.19 44.95 1ffu s LEU 230 CO -0.02 0.30 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.32 1ffu s THR 231 N -0.40 1.16 -0.14 3.68 2.01 -0.13 -0.15 115.64 121.67 1ffu s THR 231 Ca 0.07 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.69 1ffu s THR 231 Cb -0.12 -1.15 0.02 0.00 0.01 0.00 0.00 72.50 71.27 1ffu s THR 231 CO 0.02 0.39 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.32 1ffu s THR 232 N 1.61 1.44 -0.19 -0.82 2.01 0.09 0.11 115.64 119.89 1ffu s THR 232 Ca 0.04 -0.55 -0.18 0.00 0.31 0.00 0.00 61.69 61.31 1ffu s THR 232 Cb -0.13 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 70.98 1ffu s THR 232 CO -0.08 0.44 0.50 -0.31 -0.69 0.00 0.00 174.62 174.47 1ffu s TYR 233 N 1.53 3.39 0.02 4.92 1.51 -0.69 -0.49 117.35 127.54 1ffu s TYR 233 Ca 0.05 0.77 -0.07 0.00 -1.01 0.00 0.00 57.07 56.80 1ffu s TYR 233 Cb -0.13 -2.64 -0.00 0.00 -0.11 0.00 0.00 41.96 39.08 1ffu s TYR 233 CO -0.10 -0.06 0.14 -1.50 -1.11 0.00 0.00 175.55 172.93 1ffu s ILE 234 N 1.47 0.11 -1.30 2.71 2.07 -0.09 -0.98 121.20 125.19 1ffu s ILE 234 Ca 0.24 -0.88 -0.15 0.00 -1.41 0.00 0.00 60.65 58.45 1ffu s ILE 234 Cb -0.15 -0.73 0.11 0.00 0.13 0.00 0.00 42.46 41.82 1ffu s ILE 234 CO 0.09 -0.49 1.75 0.35 -1.91 0.00 0.00 174.94 174.74 1ffu n THR 235 N 1.00 4.01 -5.07 4.00 -2.24 -0.86 -4.13 114.28 110.99 1ffu n THR 235 Ca -0.20 -4.15 -0.29 0.00 -2.27 0.00 0.00 64.05 57.13 1ffu n THR 235 Cb 0.57 -2.43 -0.16 0.00 -2.10 0.00 0.00 70.33 66.21 1ffu n THR 235 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ffu s SER 236 N 3.19 2.67 0.00 3.42 0.15 -1.26 -4.78 113.70 117.09 1ffu s SER 236 Ca 0.48 -0.45 0.22 0.00 0.70 0.00 0.00 55.95 56.90 1ffu s SER 236 Cb 0.04 -0.78 0.91 0.00 -1.71 0.00 0.00 66.02 64.48 1ffu s SER 236 CO 0.02 0.20 1.64 0.00 1.20 0.00 0.00 173.24 176.29 1ffu n GLN 237 N 3.09 1.59 -2.80 5.44 6.02 0.12 -4.28 117.38 126.56 1ffu n GLN 237 Ca -0.18 -0.87 -0.10 0.00 -0.01 0.00 0.00 57.00 55.84 1ffu n GLN 237 Cb 0.52 -1.40 0.04 0.00 1.02 0.00 0.00 30.24 30.42 1ffu n GLN 237 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ffu n ALA 238 N 0.08 -0.90 -0.19 -1.58 0.00 -1.26 -1.24 120.51 115.42 1ffu n ALA 238 Ca 0.17 -1.64 0.04 0.00 0.00 0.00 0.00 53.44 52.01 1ffu n ALA 238 Cb 0.29 -1.26 0.32 0.00 0.00 0.00 0.00 19.45 18.80 1ffu n ALA 238 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ffu h PRO 239 N 3.84 0.82 -0.02 0.00 0.13 -1.90 -2.37 132.00 132.50 1ffu h PRO 239 Ca -0.12 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1ffu h PRO 239 Cb 1.02 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 1ffu h PRO 239 CO 0.32 0.54 0.01 0.45 -0.23 0.00 0.00 178.00 179.09 1ffu h HIS 240 N 0.85 0.03 -0.20 1.56 3.86 -1.91 -0.03 115.15 119.31 1ffu h HIS 240 Ca 0.30 -0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.42 1ffu h HIS 240 Cb 0.11 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 1ffu h HIS 240 CO -0.00 0.18 -0.23 -0.39 0.86 0.00 0.00 177.93 178.34 1ffu h VAL 241 N -0.13 1.25 -0.32 2.45 -1.51 -1.75 -1.83 116.25 114.41 1ffu h VAL 241 Ca 0.01 -1.16 0.03 0.00 -1.23 0.00 0.00 66.70 64.34 1ffu h VAL 241 Cb 0.16 1.36 -0.03 0.00 -2.13 0.00 0.00 31.29 30.65 1ffu h VAL 241 CO -0.00 0.36 0.14 0.58 -1.23 0.00 0.00 177.57 177.42 1ffu h VAL 242 N 0.32 0.96 -0.31 7.19 2.07 -1.12 0.86 116.25 126.22 1ffu h VAL 242 Ca 0.05 -0.10 0.05 0.00 0.82 0.00 0.00 66.70 67.52 1ffu h VAL 242 Cb 0.60 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 1ffu h VAL 242 CO 0.04 0.05 0.02 -0.09 0.02 0.00 0.00 177.57 177.62 1ffu h ARG 243 N 0.29 0.12 -0.54 1.57 2.43 -0.39 0.41 114.38 118.27 1ffu h ARG 243 Ca 0.14 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1ffu h ARG 243 Cb 0.08 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 1ffu h ARG 243 CO -0.11 0.08 0.34 1.15 -1.51 0.00 0.00 179.97 179.91 1ffu h THR 244 N 0.12 1.10 -0.13 0.20 2.02 -0.66 -0.13 112.91 115.42 1ffu h THR 244 Ca 0.15 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1ffu h THR 244 Cb 0.18 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1ffu h THR 244 CO -0.23 0.12 0.02 0.58 0.37 0.00 0.00 175.52 176.39 1ffu h VAL 245 N 0.68 1.23 -0.98 3.16 2.07 -0.15 -2.32 116.25 119.94 1ffu h VAL 245 Ca 0.21 -0.72 0.06 0.00 0.82 0.00 0.00 66.70 67.07 1ffu h VAL 245 Cb -0.03 1.45 -0.07 0.00 -1.52 0.00 0.00 31.29 31.13 1ffu h VAL 245 CO -0.07 0.21 0.64 0.58 0.02 0.00 0.00 177.57 178.95 1ffu h VAL 246 N -0.01 1.09 -0.36 2.57 2.07 0.03 -1.59 116.25 120.04 1ffu h VAL 246 Ca 0.04 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 1ffu h VAL 246 Cb 0.31 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 1ffu h VAL 246 CO 0.00 0.21 0.11 -1.28 0.02 0.00 0.00 177.57 176.64 1ffu h SER 247 N 1.15 0.52 -0.52 0.57 0.87 -0.89 -1.49 113.55 113.76 1ffu h SER 247 Ca 0.42 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1ffu h SER 247 Cb 0.17 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 1ffu h SER 247 CO -0.16 0.59 0.34 0.24 -0.53 0.00 0.00 176.83 177.31 1ffu h MET 248 N 0.43 0.69 0.00 2.24 2.86 -0.83 -1.09 114.93 119.24 1ffu h MET 248 Ca 0.12 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1ffu h MET 248 Cb 0.25 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.75 1ffu h MET 248 CO -0.00 0.46 -0.15 -0.07 1.06 0.00 0.00 176.91 178.21 1ffu h LEU 249 N 0.71 0.00 0.00 1.22 3.38 -1.25 -3.34 115.31 116.03 1ffu h LEU 249 Ca 0.19 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.92 1ffu h LEU 249 Cb -0.08 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1ffu h LEU 249 CO -0.04 0.15 -1.99 -1.54 0.09 0.00 0.00 178.44 175.10 1ffu n SER 250 N -3.15 0.31 0.00 -0.43 3.41 -0.57 -4.98 113.62 108.21 1ffu n SER 250 Ca 0.03 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1ffu n SER 250 Cb 0.57 0.87 0.00 0.00 -0.26 0.00 0.00 64.21 65.39 1ffu n SER 250 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ffu n GLY 251 N 1.54 1.12 3.69 5.00 0.00 -0.43 -5.02 105.19 111.10 1ffu n GLY 251 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1ffu n GLY 251 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ffu s ILE 252 N -2.91 4.80 0.33 -0.61 1.01 -1.24 -4.99 121.20 117.60 1ffu s ILE 252 Ca 0.00 2.01 -0.27 0.00 0.00 0.00 0.00 60.65 62.39 1ffu s ILE 252 Cb 0.00 -4.30 -0.13 0.00 0.01 0.00 0.00 42.46 38.04 1ffu s ILE 252 CO 0.00 0.02 1.13 -2.65 0.00 0.00 0.00 174.94 173.44 1ffu n PRO 253 N 4.95 1.70 -0.28 2.79 -0.01 -1.26 -4.61 135.00 138.27 1ffu n PRO 253 Ca 0.08 0.60 0.16 0.00 -0.01 0.00 0.00 63.50 64.33 1ffu n PRO 253 Cb 0.49 -2.09 0.44 0.00 -0.01 0.00 0.00 33.50 32.32 1ffu n PRO 253 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 175.50 176.98 1ffu h GLU 254 N 2.16 0.54 0.00 -0.52 4.81 -1.93 -0.29 114.58 119.36 1ffu h GLU 254 Ca -0.43 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1ffu h GLU 254 Cb 1.31 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1ffu h GLU 254 CO 0.61 0.36 0.00 0.66 -0.73 0.00 0.00 179.01 179.91 1ffu h SER 255 N 0.56 0.00 -0.59 1.04 4.64 -1.99 -1.82 113.55 115.38 1ffu h SER 255 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1ffu h SER 255 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1ffu h SER 255 CO -0.24 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.01 1ffu n LYS 256 N -2.39 2.67 -4.90 4.77 5.02 -0.13 -4.86 118.16 118.35 1ffu n LYS 256 Ca 0.01 -2.46 -0.33 0.00 -2.02 0.00 0.00 58.31 53.51 1ffu n LYS 256 Cb 0.22 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.57 1ffu n LYS 256 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ffu s VAL 257 N -1.09 2.74 -0.11 -0.18 1.01 -0.69 -1.26 120.40 120.83 1ffu s VAL 257 Ca 0.42 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1ffu s VAL 257 Cb 0.22 -2.13 0.03 0.00 0.00 0.00 0.00 36.38 34.51 1ffu s VAL 257 CO 0.30 0.53 -0.05 -0.60 0.00 0.00 0.00 175.10 175.28 1ffu s ARG 258 N 0.36 1.25 -0.14 2.72 3.52 0.79 -4.90 118.95 122.55 1ffu s ARG 258 Ca -0.13 -0.21 -0.02 0.00 -0.13 0.00 0.00 55.73 55.24 1ffu s ARG 258 Cb -0.17 -1.51 -0.02 0.00 -1.56 0.00 0.00 34.95 31.69 1ffu s ARG 258 CO 0.06 -0.31 -0.08 0.42 -0.81 0.00 0.00 175.30 174.58 1ffu s ILE 259 N 1.77 3.52 -0.11 4.11 1.09 -1.26 -0.73 121.20 129.59 1ffu s ILE 259 Ca 0.04 -0.49 -0.01 0.00 -1.10 0.00 0.00 60.65 59.09 1ffu s ILE 259 Cb -0.13 -2.51 0.03 0.00 -1.06 0.00 0.00 42.46 38.78 1ffu s ILE 259 CO -0.07 0.51 -0.04 0.54 -0.10 0.00 0.00 174.94 175.77 1ffu s VAL 260 N 0.34 0.78 -0.43 2.92 0.11 0.35 -1.69 120.40 122.80 1ffu s VAL 260 Ca -0.07 -0.20 -0.21 0.00 -2.93 0.00 0.00 61.98 58.57 1ffu s VAL 260 Cb -0.15 -0.90 0.02 0.00 -1.53 0.00 0.00 36.38 33.83 1ffu s VAL 260 CO 0.04 0.27 0.66 -0.44 -3.33 0.00 0.00 175.10 172.30 1ffu s SER 261 N 1.80 6.35 0.00 3.54 0.01 -0.15 -0.91 113.70 124.34 1ffu s SER 261 Ca 0.04 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.07 1ffu s SER 261 Cb -0.13 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1ffu s SER 261 CO -0.07 -0.76 0.00 -0.81 0.41 0.00 0.00 173.24 172.01 1ffu n PRO 262 N 6.27 2.51 -2.74 12.44 -0.04 -1.26 -4.52 135.00 147.67 1ffu n PRO 262 Ca -0.01 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.03 1ffu n PRO 262 Cb 0.48 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.91 1ffu n PRO 262 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ffu s ASP 263 N -1.00 7.37 -0.14 3.54 1.01 -0.13 -5.01 116.67 122.31 1ffu s ASP 263 Ca 0.00 1.66 0.01 0.00 0.71 0.00 0.00 52.55 54.92 1ffu s ASP 263 Cb 0.00 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.36 1ffu s ASP 263 CO 0.00 -0.21 -0.16 -0.63 0.21 0.00 0.00 175.17 174.38 1ffu s ILE 264 N 0.78 2.68 -0.82 0.77 1.01 -1.26 -4.14 121.20 120.23 1ffu s ILE 264 Ca 0.50 -0.78 -0.07 0.00 0.00 0.00 0.00 60.65 60.30 1ffu s ILE 264 Cb -0.21 -2.12 -0.13 0.00 0.01 0.00 0.00 42.46 40.01 1ffu s ILE 264 CO 0.28 0.53 2.81 0.61 0.00 0.00 0.00 174.94 179.16 1ffu n GLY 265 N 3.80 3.35 0.00 6.18 0.00 -1.26 -4.40 105.19 112.86 1ffu n GLY 265 Ca -0.19 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1ffu n GLY 265 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ffu n GLY 266 N 3.24 0.17 1.27 -0.02 0.00 -1.15 -2.82 105.19 105.88 1ffu n GLY 266 Ca 0.54 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1ffu n GLY 266 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ffu n GLY 267 N 0.73 -0.00 2.43 -0.02 0.00 -1.26 -4.82 105.19 102.24 1ffu n GLY 267 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1ffu n GLY 267 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ffu n PHE 268 N -2.68 -0.58 -0.24 1.61 3.72 -1.26 -1.41 117.46 116.62 1ffu n PHE 268 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1ffu n PHE 268 Cb 0.00 -3.53 0.00 0.00 -0.94 0.00 0.00 39.48 35.01 1ffu n PHE 268 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ffu n GLY 269 N -0.89 1.54 0.12 1.37 0.00 -1.26 -1.35 105.19 104.73 1ffu n GLY 269 Ca -0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.79 1ffu n GLY 269 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1ffu h ASN 270 N 0.00 0.00 -0.83 1.61 -1.24 -1.32 -3.28 115.58 110.52 1ffu h ASN 270 Ca 0.00 0.00 -0.47 0.00 0.71 0.00 0.00 56.30 56.54 1ffu h ASN 270 Cb 0.00 0.00 -0.26 0.00 0.73 0.00 0.00 38.32 38.79 1ffu h ASN 270 CO 0.00 0.68 0.45 0.29 -1.29 0.00 0.00 177.43 177.56 1ffu n LYS 271 N -3.57 2.29 0.00 6.67 5.02 -1.26 -4.52 118.16 122.80 1ffu n LYS 271 Ca -0.00 -3.16 -0.22 0.00 -2.02 0.00 0.00 58.31 52.91 1ffu n LYS 271 Cb 0.70 -2.12 -0.14 0.00 -0.02 0.00 0.00 35.03 33.46 1ffu n LYS 271 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ffu h VAL 272 N 1.06 0.85 -4.09 -0.18 2.07 -1.88 0.35 116.25 114.43 1ffu h VAL 272 Ca 0.52 -2.37 -0.46 0.00 0.82 0.00 0.00 66.70 65.21 1ffu h VAL 272 Cb 2.14 2.58 0.12 0.00 -1.52 0.00 0.00 31.29 34.62 1ffu h VAL 272 CO 1.01 0.76 0.37 -0.83 0.02 0.00 0.00 177.57 178.90 1ffu s GLY 273 N -5.21 1.69 -0.32 2.17 0.00 -1.26 -4.63 107.32 99.76 1ffu s GLY 273 Ca -0.21 -0.98 -0.11 0.00 0.00 0.00 0.00 44.72 43.42 1ffu s GLY 273 CO 0.76 -0.39 0.19 -0.42 0.00 0.00 0.00 173.10 173.24 1ffu s ILE 274 N -3.61 4.92 0.23 0.90 1.01 -1.26 -4.97 121.20 118.42 1ffu s ILE 274 Ca 0.67 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 61.01 1ffu s ILE 274 Cb -0.08 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 1ffu s ILE 274 CO 0.49 0.07 0.48 -0.31 0.00 0.00 0.00 174.94 175.68 1ffu s TYR 275 N 1.67 3.47 0.48 3.97 2.02 -1.26 -4.99 117.35 122.71 1ffu s TYR 275 Ca 0.05 0.57 0.25 0.00 -0.37 0.00 0.00 57.07 57.58 1ffu s TYR 275 Cb -0.17 -2.04 1.30 0.00 -0.40 0.00 0.00 41.96 40.65 1ffu s TYR 275 CO 0.08 0.28 1.86 -1.00 -1.57 0.00 0.00 175.55 175.21 1ffu h PRO 276 N 2.06 0.19 -0.82 -1.71 0.13 -1.89 -0.65 132.00 129.32 1ffu h PRO 276 Ca -0.47 -0.01 0.07 0.00 -0.87 0.00 0.00 66.00 64.71 1ffu h PRO 276 Cb 1.18 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.22 1ffu h PRO 276 CO 0.68 0.12 0.53 0.78 -0.23 0.00 0.00 178.00 179.89 1ffu h GLY 277 N 0.19 1.14 0.71 1.56 0.00 -1.94 -0.94 103.07 103.80 1ffu h GLY 277 Ca 0.47 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 1ffu h GLY 277 CO -0.10 0.25 0.00 -0.97 0.00 0.00 0.00 176.54 175.72 1ffu h TYR 278 N 0.88 0.06 -0.33 5.60 0.05 -1.51 -1.92 116.97 119.81 1ffu h TYR 278 Ca 0.36 -0.01 0.04 0.00 0.05 0.00 0.00 58.73 59.16 1ffu h TYR 278 Cb 0.25 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 37.94 1ffu h TYR 278 CO -0.00 0.34 0.12 0.28 -1.05 0.00 0.00 178.16 177.85 1ffu h VAL 279 N -0.24 0.91 -0.88 -2.88 2.07 -1.43 -1.07 116.25 112.74 1ffu h VAL 279 Ca 0.01 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1ffu h VAL 279 Cb 0.32 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1ffu h VAL 279 CO 0.00 0.05 0.49 0.00 0.02 0.00 0.00 177.57 178.13 1ffu h ALA 281 N 1.26 0.77 0.17 0.00 0.00 -0.93 0.17 119.26 120.71 1ffu h ALA 281 Ca 0.31 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1ffu h ALA 281 Cb 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1ffu h ALA 281 CO -0.05 0.34 -0.08 0.82 0.00 0.00 0.00 179.25 180.27 1ffu h ILE 282 N 0.82 0.92 -0.41 0.00 2.04 -0.57 0.49 117.51 120.80 1ffu h ILE 282 Ca 0.21 -0.43 0.04 0.00 1.00 0.00 0.00 64.86 65.67 1ffu h ILE 282 Cb 0.12 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1ffu h ILE 282 CO -0.03 0.10 0.19 0.58 0.00 0.00 0.00 178.15 179.00 1ffu h VAL 283 N -0.44 0.95 -0.51 1.67 2.07 -0.69 -0.03 116.25 119.27 1ffu h VAL 283 Ca -0.02 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.38 1ffu h VAL 283 Cb 0.34 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1ffu h VAL 283 CO 0.04 0.07 0.32 0.00 0.02 0.00 0.00 177.57 178.03 1ffu h ALA 284 N 1.23 0.66 -0.60 1.67 0.00 -0.59 -0.27 119.26 121.36 1ffu h ALA 284 Ca 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1ffu h ALA 284 Cb 0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1ffu h ALA 284 CO -0.14 0.05 0.35 1.03 0.00 0.00 0.00 179.25 180.54 1ffu h SER 285 N 0.65 0.73 -0.83 0.00 0.87 -0.27 0.28 113.55 114.99 1ffu h SER 285 Ca 0.20 -0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 1ffu h SER 285 Cb -0.03 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 61.71 1ffu h SER 285 CO -0.07 0.60 0.37 0.40 -0.53 0.00 0.00 176.83 177.59 1ffu h ILE 286 N 0.81 1.26 0.24 2.23 2.04 -0.60 -0.11 117.51 123.38 1ffu h ILE 286 Ca 0.21 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 1ffu h ILE 286 Cb 0.01 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1ffu h ILE 286 CO -0.04 0.33 -0.11 0.58 0.00 0.00 0.00 178.15 178.91 1ffu h VAL 287 N 1.19 0.74 0.00 1.67 2.07 -0.63 -3.30 116.25 117.99 1ffu h VAL 287 Ca 0.28 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1ffu h VAL 287 Cb 0.17 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1ffu h VAL 287 CO -0.03 0.16 0.00 0.18 0.02 0.00 0.00 177.57 177.91 1ffu n LEU 288 N -5.02 0.63 -0.68 2.57 4.77 0.05 -4.92 117.00 114.41 1ffu n LEU 288 Ca -0.08 0.61 -0.09 0.00 -0.03 0.00 0.00 56.01 56.42 1ffu n LEU 288 Cb 0.26 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 40.84 1ffu n LEU 288 CO 0.27 -0.37 -0.08 0.61 -1.33 0.00 0.00 177.39 176.49 1ffu n GLY 289 N 0.56 0.99 3.45 -0.72 0.00 -0.07 -5.01 105.19 104.40 1ffu n GLY 289 Ca 0.04 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 1ffu n GLY 289 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ffu s ARG 290 N -2.82 1.32 0.30 1.61 1.70 -1.15 -4.74 118.95 115.16 1ffu s ARG 290 Ca 0.00 -1.12 -0.30 0.00 -0.47 0.00 0.00 55.73 53.84 1ffu s ARG 290 Cb 0.00 0.44 -0.12 0.00 -0.57 0.00 0.00 34.95 34.70 1ffu s ARG 290 CO 0.00 -0.52 1.45 -2.30 -1.08 0.00 0.00 175.30 172.84 1ffu n PRO 291 N -0.29 2.35 -4.38 3.89 -0.02 -1.26 -4.43 135.00 130.85 1ffu n PRO 291 Ca -0.06 0.83 -0.26 0.00 -2.02 0.00 0.00 63.50 61.99 1ffu n PRO 291 Cb 0.63 -2.52 -0.17 0.00 -0.02 0.00 0.00 33.50 31.42 1ffu n PRO 291 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ffu s VAL 292 N -0.45 1.19 -0.14 -1.45 1.01 -0.09 0.20 120.40 120.67 1ffu s VAL 292 Ca 0.62 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 1ffu s VAL 292 Cb -0.56 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1ffu s VAL 292 CO 0.54 0.38 0.04 -0.75 0.00 0.00 0.00 175.10 175.31 1ffu s LYS 293 N 1.00 3.56 -0.07 2.72 2.20 0.09 -1.09 119.74 128.15 1ffu s LYS 293 Ca -0.08 -0.36 -0.00 0.00 -0.36 0.00 0.00 55.97 55.17 1ffu s LYS 293 Cb -0.15 -3.04 0.02 0.00 -1.51 0.00 0.00 37.83 33.16 1ffu s LYS 293 CO -0.01 0.47 -0.04 -0.46 -0.36 0.00 0.00 175.35 174.95 1ffu s TRP 294 N -0.20 0.95 -0.14 4.03 -0.00 0.23 -0.65 118.94 123.17 1ffu s TRP 294 Ca 0.07 -0.34 -0.04 0.00 -0.00 0.00 0.00 56.10 55.78 1ffu s TRP 294 Cb -0.12 -0.88 0.05 0.00 -0.00 0.00 0.00 33.47 32.52 1ffu s TRP 294 CO 0.02 -0.32 0.07 0.08 -0.00 0.00 0.00 176.95 176.80 1ffu s VAL 295 N 1.44 -0.01 0.65 5.86 1.01 -1.26 -0.11 120.40 127.98 1ffu s VAL 295 Ca -0.02 -0.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.76 1ffu s VAL 295 Cb -0.13 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 1ffu s VAL 295 CO -0.03 -0.15 1.08 -1.83 0.00 0.00 0.00 175.10 174.17 1ffu s GLU 296 N 2.11 2.98 0.59 2.72 -1.05 -0.87 -5.02 118.70 120.15 1ffu s GLU 296 Ca 0.02 1.23 -0.01 0.00 -0.15 0.00 0.00 54.97 56.07 1ffu s GLU 296 Cb -0.15 -1.98 0.04 0.00 -0.44 0.00 0.00 34.13 31.59 1ffu s GLU 296 CO -0.07 -1.09 0.84 -0.51 0.95 0.00 0.00 175.26 175.38 1ffu s ASP 297 N -2.91 5.17 0.23 0.83 1.01 -1.26 -4.74 116.67 115.00 1ffu s ASP 297 Ca 0.64 0.16 -0.07 0.00 0.71 0.00 0.00 52.55 53.99 1ffu s ASP 297 Cb -0.17 -0.99 0.35 0.00 1.01 0.00 0.00 42.92 43.12 1ffu s ASP 297 CO 0.43 -1.26 1.77 -0.09 0.21 0.00 0.00 175.17 176.23 1ffu h ARG 298 N -0.12 0.54 -0.08 8.23 9.65 -1.97 -1.20 114.38 129.43 1ffu h ARG 298 Ca -0.43 -0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 58.37 1ffu h ARG 298 Cb 1.30 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.75 1ffu h ARG 298 CO 0.55 0.36 -0.19 -0.24 2.80 0.00 0.00 179.97 183.25 1ffu h VAL 299 N 0.55 1.18 -0.15 0.20 3.04 -1.95 -1.44 116.25 117.68 1ffu h VAL 299 Ca 0.36 -0.82 -0.19 0.00 -1.01 0.00 0.00 66.70 65.03 1ffu h VAL 299 Cb 0.41 1.33 0.01 0.00 -2.01 0.00 0.00 31.29 31.03 1ffu h VAL 299 CO -0.29 0.25 -0.67 -0.33 -1.01 0.00 0.00 177.57 175.51 1ffu h GLU 300 N 0.12 0.71 0.17 4.17 5.08 -1.64 -1.64 114.58 121.56 1ffu h GLU 300 Ca 0.02 -0.57 -0.01 0.00 -1.00 0.00 0.00 59.36 57.81 1ffu h GLU 300 Cb 0.41 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1ffu h GLU 300 CO 0.03 1.18 -0.10 -0.97 -1.00 0.00 0.00 179.01 178.15 1ffu h ASN 301 N 0.41 -0.25 -0.57 1.42 -1.24 -0.75 0.70 115.58 115.31 1ffu h ASN 301 Ca -0.04 0.01 -0.09 0.00 0.71 0.00 0.00 56.30 56.89 1ffu h ASN 301 Cb 1.30 0.07 -0.02 0.00 0.73 0.00 0.00 38.32 40.40 1ffu h ASN 301 CO 0.14 -0.16 -0.01 0.40 -1.29 0.00 0.00 177.43 176.50 1ffu h ILE 302 N -0.26 1.27 -0.03 2.57 2.04 -1.34 -2.69 117.51 119.07 1ffu h ILE 302 Ca -0.02 -1.15 -0.19 0.00 1.00 0.00 0.00 64.86 64.51 1ffu h ILE 302 Cb 0.21 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1ffu h ILE 302 CO 0.02 0.41 -0.80 0.28 0.00 0.00 0.00 178.15 178.06 1ffu h SER 303 N 0.89 0.37 0.00 1.72 0.02 -1.14 -3.41 113.55 112.00 1ffu h SER 303 Ca 0.16 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1ffu h SER 303 Cb 0.56 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1ffu h SER 303 CO 0.03 1.03 -0.49 0.35 -1.14 0.00 0.00 176.83 176.60 1ffu n THR 304 N -3.76 0.00 -2.20 -2.27 -2.24 0.23 -4.60 114.28 99.44 1ffu n THR 304 Ca -0.04 -0.21 -0.26 0.00 -2.27 0.00 0.00 64.05 61.27 1ffu n THR 304 Cb 0.75 0.71 0.07 0.00 -2.10 0.00 0.00 70.33 69.76 1ffu n THR 304 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1ffu s THR 305 N -1.41 2.41 -0.07 4.28 -4.23 -1.01 -4.69 115.64 110.91 1ffu s THR 305 Ca 0.00 -0.22 -0.37 0.00 -1.18 0.00 0.00 61.69 59.92 1ffu s THR 305 Cb 0.00 -3.05 -0.14 0.00 1.34 0.00 0.00 72.50 70.64 1ffu s THR 305 CO 0.00 -0.06 1.67 0.00 -0.54 0.00 0.00 174.62 175.70 1ffu n ALA 306 N -2.91 0.21 -2.00 3.99 0.00 -1.26 -4.88 120.51 113.66 1ffu n ALA 306 Ca 0.08 0.39 -0.23 0.00 0.00 0.00 0.00 53.44 53.69 1ffu n ALA 306 Cb 0.60 -2.29 0.09 0.00 0.00 0.00 0.00 19.45 17.85 1ffu n ALA 306 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1ffu s PHE 307 N 2.62 1.61 0.13 0.00 -0.12 -1.25 -4.49 117.98 116.48 1ffu s PHE 307 Ca 0.91 -0.37 0.04 0.00 -0.05 0.00 0.00 56.93 57.46 1ffu s PHE 307 Cb -0.87 -2.81 -0.04 0.00 -0.63 0.00 0.00 43.02 38.67 1ffu s PHE 307 CO 0.53 -1.54 -0.09 0.00 -0.05 0.00 0.00 175.22 174.07 1ffu s ALA 308 N -3.02 1.31 0.00 1.99 0.00 0.96 -0.29 121.76 122.71 1ffu s ALA 308 Ca 0.65 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1ffu s ALA 308 Cb -0.06 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.15 1ffu s ALA 308 CO 0.43 -0.14 0.00 0.54 0.00 0.00 0.00 175.76 176.59 1ffu n ARG 309 N -0.15 0.00 -2.67 0.00 5.12 -1.13 -1.37 116.66 116.46 1ffu n ARG 309 Ca -0.11 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.74 1ffu n ARG 309 Cb 0.61 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 31.94 1ffu n ARG 309 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1ffu n ASP 310 N 5.06 -2.41 -4.47 0.55 -0.08 0.27 -4.83 116.55 110.64 1ffu n ASP 310 Ca 0.00 -0.25 -0.33 0.00 -1.51 0.00 0.00 54.79 52.70 1ffu n ASP 310 Cb 0.00 -2.39 -0.13 0.00 2.34 0.00 0.00 41.12 40.94 1ffu n ASP 310 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1ffu s TYR 311 N -3.14 2.95 -0.39 -0.67 1.51 -0.85 -2.71 117.35 114.05 1ffu s TYR 311 Ca 0.05 -0.36 -0.10 0.00 -1.01 0.00 0.00 57.07 55.66 1ffu s TYR 311 Cb -0.02 -1.89 0.05 0.00 -0.11 0.00 0.00 41.96 39.99 1ffu s TYR 311 CO 0.30 -0.04 0.22 -1.01 -1.11 0.00 0.00 175.55 173.91 1ffu s HIS 312 N 0.20 3.29 -0.07 2.71 3.76 -0.54 -0.41 115.29 124.23 1ffu s HIS 312 Ca -0.04 -1.27 0.01 0.00 -0.15 0.00 0.00 55.06 53.60 1ffu s HIS 312 Cb -0.14 -2.66 -0.03 0.00 1.11 0.00 0.00 32.58 30.86 1ffu s HIS 312 CO 0.04 -0.75 -0.07 -1.64 -0.85 0.00 0.00 174.74 171.47 1ffu s MET 313 N 1.48 2.77 -0.52 1.40 1.00 0.26 -1.55 119.30 124.14 1ffu s MET 313 Ca 0.02 -0.55 0.03 0.00 0.00 0.00 0.00 55.69 55.19 1ffu s MET 313 Cb -0.21 -2.60 0.13 0.00 0.00 0.00 0.00 34.83 32.15 1ffu s MET 313 CO 0.04 0.66 0.27 -0.51 0.00 0.00 0.00 175.02 175.48 1ffu s ASP 314 N -0.78 4.49 0.16 3.03 1.01 -0.43 -0.63 116.67 123.51 1ffu s ASP 314 Ca 0.12 -2.92 -0.16 0.00 0.71 0.00 0.00 52.55 50.30 1ffu s ASP 314 Cb -0.11 -1.67 -0.07 0.00 1.01 0.00 0.00 42.92 42.08 1ffu s ASP 314 CO 0.01 -0.27 0.59 -0.83 0.21 0.00 0.00 175.17 174.89 1ffu s GLY 315 N -0.04 2.51 0.01 0.21 0.00 -0.54 -2.37 107.32 107.08 1ffu s GLY 315 Ca 0.16 -0.06 0.02 0.00 0.00 0.00 0.00 44.72 44.84 1ffu s GLY 315 CO -0.01 0.25 -0.06 -0.54 0.00 0.00 0.00 173.10 172.74 1ffu s GLU 316 N -1.90 0.44 -0.04 2.90 2.02 0.92 -1.18 118.70 121.85 1ffu s GLU 316 Ca 0.38 -0.30 0.00 0.00 0.02 0.00 0.00 54.97 55.08 1ffu s GLU 316 Cb -0.16 -0.38 0.03 0.00 0.10 0.00 0.00 34.13 33.72 1ffu s GLU 316 CO 0.19 0.10 -0.00 -1.17 0.02 0.00 0.00 175.26 174.40 1ffu s LEU 317 N -0.41 1.05 -0.11 1.80 2.96 -0.51 -1.74 118.68 121.71 1ffu s LEU 317 Ca -0.00 -0.05 -0.05 0.00 -0.22 0.00 0.00 54.13 53.80 1ffu s LEU 317 Cb -0.04 -0.30 -0.04 0.00 0.50 0.00 0.00 46.19 46.32 1ffu s LEU 317 CO -0.00 -0.11 0.09 0.00 -1.32 0.00 0.00 176.35 175.01 1ffu s ALA 318 N 1.21 3.66 0.30 5.97 0.00 -0.50 -2.05 121.76 130.35 1ffu s ALA 318 Ca -0.07 -0.70 -0.13 0.00 0.00 0.00 0.00 51.96 51.06 1ffu s ALA 318 Cb -0.13 -1.81 0.01 0.00 0.00 0.00 0.00 23.12 21.19 1ffu s ALA 318 CO -0.02 0.58 0.59 0.00 0.00 0.00 0.00 175.76 176.91 1ffu s ALA 319 N -0.88 -0.35 0.27 0.00 0.00 0.48 0.32 121.76 121.61 1ffu s ALA 319 Ca 0.14 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.30 1ffu s ALA 319 Cb -0.12 0.96 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 1ffu s ALA 319 CO 0.03 -0.91 0.28 0.95 0.00 0.00 0.00 175.76 176.12 1ffu s THR 320 N -3.47 4.43 0.55 0.00 -4.23 -0.95 -1.30 115.64 110.66 1ffu s THR 320 Ca 0.20 -1.26 0.34 0.00 -1.18 0.00 0.00 61.69 59.80 1ffu s THR 320 Cb -0.03 -3.47 0.51 0.00 1.34 0.00 0.00 72.50 70.86 1ffu s THR 320 CO 0.11 -0.29 1.83 -0.65 -0.54 0.00 0.00 174.62 175.08 1ffu h PRO 321 N 1.31 0.00 -0.01 3.99 0.11 -1.93 0.25 132.00 135.72 1ffu h PRO 321 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ffu h PRO 321 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1ffu h PRO 321 CO 0.60 0.00 -0.10 -0.40 -0.21 0.00 0.00 178.00 177.88 1ffu n ASP 322 N -4.16 0.64 0.00 -2.05 5.75 -1.26 -4.94 116.55 110.53 1ffu n ASP 322 Ca 0.22 -0.79 0.00 0.00 -0.01 0.00 0.00 54.79 54.21 1ffu n ASP 322 Cb 1.11 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 41.17 1ffu n ASP 322 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ffu n GLY 323 N 1.24 0.54 3.66 6.12 0.00 0.08 -5.04 105.19 111.79 1ffu n GLY 323 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1ffu n GLY 323 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ffu s LYS 324 N -0.84 4.20 0.06 1.61 -2.85 -1.26 -4.81 119.74 115.86 1ffu s LYS 324 Ca 0.00 1.63 -0.31 0.00 -1.00 0.00 0.00 55.97 56.30 1ffu s LYS 324 Cb 0.00 -3.78 -0.07 0.00 -2.06 0.00 0.00 37.83 31.92 1ffu s LYS 324 CO 0.00 -0.74 1.52 0.42 0.10 0.00 0.00 175.35 176.64 1ffu s ILE 325 N 3.58 3.28 -0.22 3.79 1.01 -1.26 -2.25 121.20 129.14 1ffu s ILE 325 Ca 0.55 0.76 0.10 0.00 0.00 0.00 0.00 60.65 62.06 1ffu s ILE 325 Cb -0.21 -3.49 -0.21 0.00 0.01 0.00 0.00 42.46 38.55 1ffu s ILE 325 CO 0.15 0.01 -0.03 0.18 0.00 0.00 0.00 174.94 175.26 1ffu n LEU 326 N 5.14 1.45 -3.69 2.97 4.77 0.15 -4.57 117.00 123.22 1ffu n LEU 326 Ca 0.14 -0.04 -0.10 0.00 -0.03 0.00 0.00 56.01 55.99 1ffu n LEU 326 Cb 0.42 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 1ffu n LEU 326 CO 0.60 0.70 0.28 -0.83 -1.33 0.00 0.00 177.39 176.82 1ffu s GLY 327 N -5.93 -0.17 -0.04 -0.72 0.00 -1.11 -3.26 107.32 96.09 1ffu s GLY 327 Ca -0.21 -0.13 -0.00 0.00 0.00 0.00 0.00 44.72 44.38 1ffu s GLY 327 CO 0.73 -0.22 0.01 -2.27 0.00 0.00 0.00 173.10 171.35 1ffu s LEU 328 N -2.85 0.83 -0.07 0.66 2.96 -0.41 -1.41 118.68 118.39 1ffu s LEU 328 Ca 0.08 -0.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 1ffu s LEU 328 Cb -0.01 -0.27 0.02 0.00 0.50 0.00 0.00 46.19 46.43 1ffu s LEU 328 CO -0.05 -0.15 -0.08 -0.60 -1.32 0.00 0.00 176.35 174.15 1ffu s ARG 329 N 1.47 1.37 -0.02 1.98 3.52 -0.71 -1.03 118.95 125.54 1ffu s ARG 329 Ca -0.03 -0.26 0.01 0.00 -0.13 0.00 0.00 55.73 55.32 1ffu s ARG 329 Cb -0.13 -1.29 0.00 0.00 -1.56 0.00 0.00 34.95 31.98 1ffu s ARG 329 CO -0.03 -0.10 -0.05 0.08 -0.81 0.00 0.00 175.30 174.39 1ffu s VAL 330 N 1.09 0.44 -0.04 7.11 1.01 -0.48 -0.06 120.40 129.47 1ffu s VAL 330 Ca -0.07 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.76 1ffu s VAL 330 Cb -0.14 -0.41 -0.00 0.00 0.00 0.00 0.00 36.38 35.83 1ffu s VAL 330 CO -0.01 0.15 -0.14 0.20 0.00 0.00 0.00 175.10 175.30 1ffu s ASN 331 N 0.21 1.87 0.02 3.32 -0.87 -1.00 -1.35 114.94 117.14 1ffu s ASN 331 Ca -0.02 -0.30 0.03 0.00 -1.57 0.00 0.00 52.86 50.99 1ffu s ASN 331 Cb -0.06 -0.54 -0.02 0.00 -0.02 0.00 0.00 41.25 40.61 1ffu s ASN 331 CO -0.00 0.12 -0.08 -0.69 -2.57 0.00 0.00 177.10 173.87 1ffu s VAL 332 N 0.13 0.64 -0.22 1.60 1.01 0.44 -1.32 120.40 122.68 1ffu s VAL 332 Ca -0.05 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 1ffu s VAL 332 Cb -0.11 -0.61 0.02 0.00 0.00 0.00 0.00 36.38 35.67 1ffu s VAL 332 CO 0.02 -0.10 -0.10 -0.69 0.00 0.00 0.00 175.10 174.22 1ffu s VAL 333 N -0.79 2.70 -0.17 2.92 1.01 -0.59 -0.34 120.40 125.13 1ffu s VAL 333 Ca -0.03 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 1ffu s VAL 333 Cb -0.07 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 1ffu s VAL 333 CO 0.00 0.36 -0.02 0.00 0.00 0.00 0.00 175.10 175.45 1ffu s ALA 334 N 1.34 3.05 -0.45 5.51 0.00 1.00 -1.46 121.76 130.75 1ffu s ALA 334 Ca 0.03 -0.87 -0.18 0.00 0.00 0.00 0.00 51.96 50.94 1ffu s ALA 334 Cb -0.15 -1.66 0.04 0.00 0.00 0.00 0.00 23.12 21.34 1ffu s ALA 334 CO -0.07 0.08 0.48 0.34 0.00 0.00 0.00 175.76 176.60 1ffu s ASP 335 N 0.58 6.20 0.00 0.00 -1.08 -1.10 0.32 116.67 121.59 1ffu s ASP 335 Ca -0.01 -0.79 0.22 0.00 -0.52 0.00 0.00 52.55 51.45 1ffu s ASP 335 Cb -0.14 -2.24 0.38 0.00 -1.46 0.00 0.00 42.92 39.46 1ffu s ASP 335 CO 0.02 -0.67 1.35 1.41 0.52 0.00 0.00 175.17 177.81 1ffu n HIS 336 N 5.71 0.42 -3.60 -5.34 8.25 -0.58 -4.89 115.22 115.18 1ffu n HIS 336 Ca -0.07 -0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.17 1ffu n HIS 336 Cb 0.46 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 1ffu n HIS 336 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ffu n GLY 337 N 1.41 -2.04 0.28 -1.41 0.00 -1.26 -4.00 105.19 98.17 1ffu n GLY 337 Ca 0.18 -1.49 -0.06 0.00 0.00 0.00 0.00 46.02 44.65 1ffu n GLY 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ffu h ALA 338 N 0.00 0.87 -3.98 4.61 0.00 0.27 -2.63 119.26 118.40 1ffu h ALA 338 Ca 0.00 -0.08 -0.57 0.00 0.00 0.00 0.00 54.91 54.26 1ffu h ALA 338 Cb 0.00 -0.27 -0.25 0.00 0.00 0.00 0.00 17.79 17.27 1ffu h ALA 338 CO 0.00 0.34 -0.83 -0.06 0.00 0.00 0.00 179.25 178.70 1ffu s PHE 339 N -5.97 1.76 -0.70 0.00 0.08 -1.26 -4.80 117.98 107.09 1ffu s PHE 339 Ca -0.13 -0.38 -0.21 0.00 0.12 0.00 0.00 56.93 56.33 1ffu s PHE 339 Cb 0.14 -1.04 0.09 0.00 -0.57 0.00 0.00 43.02 41.64 1ffu s PHE 339 CO 0.78 0.10 0.94 0.34 -0.10 0.00 0.00 175.22 177.29 1ffu s ASP 340 N -1.28 6.28 -0.16 1.36 2.15 -1.26 -4.41 116.67 119.34 1ffu s ASP 340 Ca 0.07 -1.32 0.16 0.00 0.43 0.00 0.00 52.55 51.89 1ffu s ASP 340 Cb -0.09 -2.39 0.33 0.00 -0.30 0.00 0.00 42.92 40.48 1ffu s ASP 340 CO 0.02 -1.29 1.17 0.00 -0.17 0.00 0.00 175.17 174.91 1ffu n ALA 341 N 7.15 2.76 -1.69 3.66 0.00 -1.26 -4.03 120.51 127.10 1ffu n ALA 341 Ca 0.01 -2.86 -0.43 0.00 0.00 0.00 0.00 53.44 50.16 1ffu n ALA 341 Cb 0.46 -0.37 -0.03 0.00 0.00 0.00 0.00 19.45 19.50 1ffu n ALA 341 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ffu n ALA 343 N 9.92 1.46 -3.59 0.00 0.00 -1.26 -3.80 120.51 123.24 1ffu n ALA 343 Ca 0.25 0.38 -0.05 0.00 0.00 0.00 0.00 53.44 54.03 1ffu n ALA 343 Cb 0.44 -2.44 -0.02 0.00 0.00 0.00 0.00 19.45 17.43 1ffu n ALA 343 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ffu s ASP 344 N 1.98 -0.15 0.34 0.00 1.01 -1.26 -4.67 116.67 113.92 1ffu s ASP 344 Ca 0.82 0.02 -0.28 0.00 0.71 0.00 0.00 52.55 53.82 1ffu s ASP 344 Cb -0.64 0.16 -0.09 0.00 1.01 0.00 0.00 42.92 43.35 1ffu s ASP 344 CO 0.41 -0.25 1.21 -2.84 0.21 0.00 0.00 175.17 173.90 1ffu s PRO 345 N -2.35 4.32 0.42 8.23 0.02 -1.26 -4.78 135.00 139.60 1ffu s PRO 345 Ca 0.09 1.98 0.29 0.00 0.02 0.00 0.00 61.00 63.38 1ffu s PRO 345 Cb -0.01 -2.96 1.44 0.00 0.02 0.00 0.00 34.50 32.98 1ffu s PRO 345 CO -0.05 -0.13 1.59 1.15 -0.33 0.00 0.00 177.00 179.23 1ffu h THR 346 N 2.80 0.05 -0.30 0.99 2.02 -0.89 -1.21 112.91 116.37 1ffu h THR 346 Ca -0.48 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1ffu h THR 346 Cb 1.23 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1ffu h THR 346 CO 0.65 0.01 0.00 0.29 0.37 0.00 0.00 175.52 176.83 1ffu n LYS 347 N -4.84 1.97 -3.60 6.66 5.02 -1.26 -4.68 118.16 117.43 1ffu n LYS 347 Ca 0.39 -1.47 -0.28 0.00 -2.02 0.00 0.00 58.31 54.92 1ffu n LYS 347 Cb 1.46 -1.40 -0.12 0.00 -0.02 0.00 0.00 35.03 34.96 1ffu n LYS 347 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1ffu s PHE 348 N -1.61 1.81 -0.56 2.13 0.08 -0.46 -4.95 117.98 114.42 1ffu s PHE 348 Ca 0.32 -2.47 0.17 0.00 0.12 0.00 0.00 56.93 55.07 1ffu s PHE 348 Cb 0.18 -1.56 0.80 0.00 -0.57 0.00 0.00 43.02 41.86 1ffu s PHE 348 CO 0.25 -0.76 1.51 -0.35 -0.10 0.00 0.00 175.22 175.78 1ffu n PRO 349 N 3.02 0.11 -0.27 0.24 -0.04 -1.26 -0.90 135.00 135.90 1ffu n PRO 349 Ca 0.19 0.49 0.08 0.00 -0.04 0.00 0.00 63.50 64.22 1ffu n PRO 349 Cb 0.40 -1.78 0.13 0.00 -0.04 0.00 0.00 33.50 32.21 1ffu n PRO 349 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ffu n ALA 350 N -1.68 2.48 -0.89 0.55 0.00 -1.26 -5.05 120.51 114.65 1ffu n ALA 350 Ca 0.01 -2.53 0.00 0.00 0.00 0.00 0.00 53.44 50.92 1ffu n ALA 350 Cb 0.10 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.15 1ffu n ALA 350 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ffu n GLY 351 N -1.12 2.34 2.65 0.00 0.00 -0.08 -2.59 105.19 106.39 1ffu n GLY 351 Ca 0.14 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 1ffu n GLY 351 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ffu n LEU 352 N 0.00 7.41 0.25 0.99 4.77 0.31 -4.65 117.00 126.09 1ffu n LEU 352 Ca 0.00 -4.64 0.09 0.00 -0.03 0.00 0.00 56.01 51.43 1ffu n LEU 352 Cb 0.00 -0.99 0.66 0.00 -2.33 0.00 0.00 43.42 40.76 1ffu n LEU 352 CO 0.00 1.68 0.99 0.15 -1.33 0.00 0.00 177.39 178.88 1ffu h PHE 353 N 2.58 0.00 0.00 -1.77 3.57 -1.66 -2.32 116.94 117.33 1ffu h PHE 353 Ca 0.57 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.07 1ffu h PHE 353 Cb 0.40 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1ffu h PHE 353 CO 1.25 0.10 0.00 -2.39 -2.23 0.00 0.00 178.31 175.05 1ffu n HIS 354 N -4.12 0.00 0.99 0.41 1.44 -1.26 -1.40 115.22 111.29 1ffu n HIS 354 Ca -0.03 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.81 1ffu n HIS 354 Cb 0.18 -0.04 0.20 0.00 0.12 0.00 0.00 29.99 30.45 1ffu n HIS 354 CO 0.00 0.00 0.00 1.51 -2.81 0.00 0.00 176.34 175.04 1ffu n ILE 355 N 0.14 0.08 0.17 0.61 0.00 -0.87 -4.43 119.36 115.06 1ffu n ILE 355 Ca 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 62.75 62.28 1ffu n ILE 355 Cb 0.11 1.20 0.08 0.00 0.00 0.00 0.00 39.64 41.03 1ffu n ILE 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ffu h SER 357 N 0.00 0.00 0.00 0.00 4.64 -1.87 -3.41 113.55 112.91 1ffu h SER 357 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ffu h SER 357 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ffu h SER 357 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1ffu n GLY 358 N 0.35 1.03 1.03 -0.77 0.00 -0.55 -3.24 105.19 103.04 1ffu n GLY 358 Ca 0.02 -0.71 0.05 0.00 0.00 0.00 0.00 46.02 45.38 1ffu n GLY 358 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ffu n SER 359 N -0.44 2.94 -4.52 1.61 7.64 -1.26 -4.80 113.62 114.79 1ffu n SER 359 Ca 0.00 -2.30 -0.31 0.00 1.01 0.00 0.00 58.87 57.27 1ffu n SER 359 Cb 0.00 -0.47 -0.12 0.00 -1.01 0.00 0.00 64.21 62.62 1ffu n SER 359 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1ffu s TYR 360 N -1.75 2.70 -1.19 1.43 2.02 -1.20 -1.34 117.35 118.02 1ffu s TYR 360 Ca 0.27 -0.16 -0.18 0.00 -0.37 0.00 0.00 57.07 56.63 1ffu s TYR 360 Cb 0.19 -1.52 0.09 0.00 -0.40 0.00 0.00 41.96 40.31 1ffu s TYR 360 CO 0.12 0.31 1.57 0.34 -1.57 0.00 0.00 175.55 176.32 1ffu s ASP 361 N -1.47 6.79 -0.35 2.29 2.15 -0.44 -4.81 116.67 120.83 1ffu s ASP 361 Ca 0.16 -2.31 -0.14 0.00 0.43 0.00 0.00 52.55 50.70 1ffu s ASP 361 Cb -0.11 -2.53 -0.01 0.00 -0.30 0.00 0.00 42.92 39.97 1ffu s ASP 361 CO 0.07 -1.16 0.28 -0.63 -0.17 0.00 0.00 175.17 173.56 1ffu s ILE 362 N 3.77 5.25 0.34 4.11 1.01 -1.26 -4.90 121.20 129.52 1ffu s ILE 362 Ca 0.48 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.98 1ffu s ILE 362 Cb 0.01 -3.76 0.25 0.00 0.01 0.00 0.00 42.46 38.97 1ffu s ILE 362 CO 0.01 -0.05 1.99 1.55 0.00 0.00 0.00 174.94 178.44 1ffu h PRO 363 N 8.50 0.82 -4.63 2.79 0.13 -1.81 -3.39 132.00 134.42 1ffu h PRO 363 Ca -0.31 -0.06 -0.35 0.00 -0.87 0.00 0.00 66.00 64.41 1ffu h PRO 363 Cb 1.15 -0.18 -0.27 0.00 0.13 0.00 0.00 31.00 31.84 1ffu h PRO 363 CO 0.66 0.57 -0.76 1.03 -0.23 0.00 0.00 178.00 179.26 1ffu s ARG 364 N -5.65 0.61 -0.11 0.86 3.00 -1.20 -4.79 118.95 111.66 1ffu s ARG 364 Ca -0.10 -0.42 -0.30 0.00 0.00 0.00 0.00 55.73 54.91 1ffu s ARG 364 Cb 0.17 -0.55 0.12 0.00 0.00 0.00 0.00 34.95 34.69 1ffu s ARG 364 CO 0.77 0.14 0.97 0.00 0.00 0.00 0.00 175.30 177.18 1ffu s ALA 365 N -0.51 -1.91 -0.11 2.13 0.00 -1.26 -1.29 121.76 118.82 1ffu s ALA 365 Ca -0.00 1.41 -0.19 0.00 0.00 0.00 0.00 51.96 53.17 1ffu s ALA 365 Cb -0.05 -0.31 0.04 0.00 0.00 0.00 0.00 23.12 22.81 1ffu s ALA 365 CO 0.00 -0.45 0.48 -1.58 0.00 0.00 0.00 175.76 174.21 1ffu s HIS 366 N -1.83 -0.46 0.04 0.00 2.46 -0.19 -1.62 115.29 113.68 1ffu s HIS 366 Ca 0.01 0.97 0.01 0.00 0.47 0.00 0.00 55.06 56.51 1ffu s HIS 366 Cb -0.01 0.20 -0.03 0.00 -0.13 0.00 0.00 32.58 32.62 1ffu s HIS 366 CO -0.02 -0.37 -0.04 0.00 -2.47 0.00 0.00 174.74 171.84 1ffu s SER 368 N -1.81 0.69 -0.16 0.00 0.15 -0.46 -2.34 113.70 109.77 1ffu s SER 368 Ca -0.09 0.35 -0.04 0.00 0.70 0.00 0.00 55.95 56.88 1ffu s SER 368 Cb -0.06 0.44 -0.03 0.00 -1.71 0.00 0.00 66.02 64.66 1ffu s SER 368 CO -0.02 -0.25 -0.04 -0.69 1.20 0.00 0.00 173.24 173.44 1ffu s VAL 369 N 2.34 3.84 -0.30 4.45 1.01 0.74 -0.42 120.40 132.07 1ffu s VAL 369 Ca 0.03 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 1ffu s VAL 369 Cb -0.13 -2.69 0.03 0.00 0.00 0.00 0.00 36.38 33.60 1ffu s VAL 369 CO -0.08 0.49 0.03 -0.75 0.00 0.00 0.00 175.10 174.79 1ffu s LYS 370 N 0.45 2.70 0.09 2.72 2.20 0.53 -0.81 119.74 127.63 1ffu s LYS 370 Ca -0.04 -1.10 -0.28 0.00 -0.36 0.00 0.00 55.97 54.19 1ffu s LYS 370 Cb -0.14 -3.24 -0.06 0.00 -1.51 0.00 0.00 37.83 32.88 1ffu s LYS 370 CO 0.03 -0.55 0.88 0.20 -0.36 0.00 0.00 175.35 175.55 1ffu s GLY 371 N 1.35 2.93 -0.00 5.54 0.00 0.51 -0.00 107.32 117.64 1ffu s GLY 371 Ca -0.02 0.46 0.03 0.00 0.00 0.00 0.00 44.72 45.19 1ffu s GLY 371 CO -0.00 1.29 -0.10 0.14 0.00 0.00 0.00 173.10 174.44 1ffu s VAL 372 N -0.09 0.77 0.13 1.40 1.01 0.15 0.35 120.40 124.11 1ffu s VAL 372 Ca 0.43 -0.45 -0.21 0.00 0.00 0.00 0.00 61.98 61.76 1ffu s VAL 372 Cb -0.22 -0.65 -0.07 0.00 0.00 0.00 0.00 36.38 35.43 1ffu s VAL 372 CO 0.27 0.19 0.65 -0.31 0.00 0.00 0.00 175.10 175.91 1ffu s TYR 373 N -0.27 3.79 0.12 5.22 2.02 0.40 -1.53 117.35 127.10 1ffu s TYR 373 Ca 0.03 1.38 -0.09 0.00 -0.37 0.00 0.00 57.07 58.02 1ffu s TYR 373 Cb -0.04 -2.58 -0.00 0.00 -0.40 0.00 0.00 41.96 38.93 1ffu s TYR 373 CO -0.00 0.51 0.24 0.95 -1.57 0.00 0.00 175.55 175.68 1ffu s THR 374 N -1.23 0.11 -1.14 -0.71 -4.23 -0.99 -4.90 115.64 102.54 1ffu s THR 374 Ca 0.34 -1.22 -0.16 0.00 -1.18 0.00 0.00 61.69 59.48 1ffu s THR 374 Cb -0.20 -1.53 -0.06 0.00 1.34 0.00 0.00 72.50 72.06 1ffu s THR 374 CO 0.21 -0.49 2.17 0.59 -0.54 0.00 0.00 174.62 176.57 1ffu n ASN 375 N -0.13 3.99 -4.12 3.99 5.03 -0.21 0.02 115.26 123.82 1ffu n ASN 375 Ca -0.12 -2.68 -0.09 0.00 0.87 0.00 0.00 54.58 52.55 1ffu n ASN 375 Cb 0.63 -1.36 -0.10 0.00 -1.02 0.00 0.00 39.78 37.93 1ffu n ASN 375 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1ffu s LYS 376 N 3.82 0.89 0.48 3.52 1.02 -1.25 -4.53 119.74 123.69 1ffu s LYS 376 Ca 0.52 -1.37 -0.23 0.00 0.02 0.00 0.00 55.97 54.91 1ffu s LYS 376 Cb 0.14 0.25 -0.07 0.00 -0.52 0.00 0.00 37.83 37.63 1ffu s LYS 376 CO 0.00 -0.25 1.25 0.00 -0.92 0.00 0.00 175.35 175.43 1ffu s ALA 377 N -4.02 2.96 1.05 5.17 0.00 -1.26 -0.28 121.76 125.38 1ffu s ALA 377 Ca 0.20 1.11 -0.14 0.00 0.00 0.00 0.00 51.96 53.13 1ffu s ALA 377 Cb 0.07 -3.46 0.21 0.00 0.00 0.00 0.00 23.12 19.94 1ffu s ALA 377 CO -0.01 -0.92 1.11 -1.25 0.00 0.00 0.00 175.76 174.69 1ffu s PRO 378 N -2.71 0.05 0.00 0.00 0.04 -1.26 -4.39 135.00 126.72 1ffu s PRO 378 Ca 0.65 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1ffu s PRO 378 Cb -0.34 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1ffu s PRO 378 CO 0.41 -2.94 0.00 0.41 0.04 0.00 0.00 177.00 174.92 1ffu n GLY 379 N -1.27 0.47 0.00 0.56 0.00 -1.26 -3.78 105.19 99.92 1ffu n GLY 379 Ca 0.07 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1ffu n GLY 379 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ffu n GLY 380 N 0.00 3.46 3.14 -0.02 0.00 0.60 -3.68 105.19 108.68 1ffu n GLY 380 Ca 0.00 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 1ffu n GLY 380 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ffu s VAL 381 N 0.00 2.86 -0.16 1.61 1.01 -1.23 -2.83 120.40 121.65 1ffu s VAL 381 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.35 1ffu s VAL 381 Cb 0.00 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.64 1ffu s VAL 381 CO 0.00 -0.25 0.78 0.00 0.00 0.00 0.00 175.10 175.64 1ffu n ALA 382 N 4.56 -2.40 -1.23 5.51 0.00 -1.26 -4.41 120.51 121.28 1ffu n ALA 382 Ca -0.10 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1ffu n ALA 382 Cb 0.43 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1ffu n ALA 382 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1ffu n TYR 383 N -0.29 0.00 -2.06 0.00 4.19 -0.45 -3.72 117.16 114.83 1ffu n TYR 383 Ca -0.17 0.00 0.02 0.00 3.31 0.00 0.00 57.90 61.06 1ffu n TYR 383 Cb 0.57 0.03 0.11 0.00 0.49 0.00 0.00 39.34 40.53 1ffu n TYR 383 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 1ffu n SER 386 N 0.00 1.76 -2.06 2.98 7.64 -1.26 -4.94 113.62 117.74 1ffu n SER 386 Ca 0.00 -3.06 -0.01 0.00 1.01 0.00 0.00 58.87 56.81 1ffu n SER 386 Cb 0.13 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 1ffu n SER 386 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ffu n PHE 387 N -0.46 -1.05 -1.17 1.43 3.72 -1.26 -4.22 117.46 114.45 1ffu n PHE 387 Ca 0.16 0.40 -0.06 0.00 -0.05 0.00 0.00 57.45 57.90 1ffu n PHE 387 Cb 0.89 -2.50 -0.03 0.00 -0.94 0.00 0.00 39.48 36.91 1ffu n PHE 387 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1ffu n ARG 388 N -1.36 -1.17 0.14 -1.08 5.12 -1.26 -0.53 116.66 116.51 1ffu n ARG 388 Ca -0.00 0.61 -0.01 0.00 -1.93 0.00 0.00 57.85 56.52 1ffu n ARG 388 Cb 0.50 -4.65 0.19 0.00 -1.16 0.00 0.00 32.46 27.34 1ffu n ARG 388 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1ffu h VAL 389 N 0.00 1.42 -0.81 1.55 2.07 -1.82 -2.69 116.25 115.97 1ffu h VAL 389 Ca -0.12 -2.00 0.05 0.00 0.82 0.00 0.00 66.70 65.45 1ffu h VAL 389 Cb 0.77 2.07 -0.06 0.00 -1.52 0.00 0.00 31.29 32.55 1ffu h VAL 389 CO 0.18 0.57 0.50 0.71 0.02 0.00 0.00 177.57 179.55 1ffu h THR 390 N 0.02 1.06 -0.15 2.57 1.35 -1.90 -0.16 112.91 115.69 1ffu h THR 390 Ca -0.01 -0.32 -0.09 0.00 -0.55 0.00 0.00 66.41 65.44 1ffu h THR 390 Cb 1.04 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 1ffu h THR 390 CO 0.08 0.17 -0.27 -0.33 -0.25 0.00 0.00 175.52 174.92 1ffu h GLU 391 N 0.93 0.45 -0.38 4.72 3.07 -1.92 -2.32 114.58 119.12 1ffu h GLU 391 Ca 0.35 -0.28 0.03 0.00 -0.50 0.00 0.00 59.36 58.95 1ffu h GLU 391 Cb 0.12 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.03 1ffu h GLU 391 CO -0.16 0.88 0.19 0.00 -1.40 0.00 0.00 179.01 178.52 1ffu h ALA 392 N 0.57 0.47 -0.30 3.43 0.00 -1.15 -0.87 119.26 121.42 1ffu h ALA 392 Ca 0.01 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1ffu h ALA 392 Cb 0.85 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1ffu h ALA 392 CO 0.06 -0.18 -0.03 0.28 0.00 0.00 0.00 179.25 179.38 1ffu h VAL 393 N 0.39 1.27 -0.46 0.00 2.07 -1.08 -2.43 116.25 116.01 1ffu h VAL 393 Ca 0.16 -1.02 0.05 0.00 0.82 0.00 0.00 66.70 66.71 1ffu h VAL 393 Cb 0.07 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1ffu h VAL 393 CO -0.11 0.33 0.20 0.22 0.02 0.00 0.00 177.57 178.23 1ffu h TYR 394 N 0.32 0.37 0.61 1.57 3.20 -1.20 -1.21 116.97 120.64 1ffu h TYR 394 Ca 0.08 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 1ffu h TYR 394 Cb 0.49 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 1ffu h TYR 394 CO 0.04 0.17 -0.35 1.25 -1.64 0.00 0.00 178.16 177.63 1ffu h LEU 395 N 0.41 -0.87 -0.77 2.82 5.85 -1.08 -0.31 115.31 121.36 1ffu h LEU 395 Ca 0.21 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.99 1ffu h LEU 395 Cb 0.15 0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1ffu h LEU 395 CO -0.17 -0.56 0.50 -0.29 -0.34 0.00 0.00 178.44 177.58 1ffu h ILE 396 N -0.90 1.17 -0.32 4.05 6.09 -1.31 -0.29 117.51 126.00 1ffu h ILE 396 Ca -0.08 -0.35 -0.11 0.00 -1.37 0.00 0.00 64.86 62.95 1ffu h ILE 396 Cb 0.72 0.07 -0.01 0.00 0.47 0.00 0.00 36.82 38.06 1ffu h ILE 396 CO 0.10 0.19 -0.27 -0.33 -3.07 0.00 0.00 178.15 174.77 1ffu h GLU 397 N 1.02 0.65 -0.29 2.19 4.39 -1.16 -1.34 114.58 120.05 1ffu h GLU 397 Ca 0.29 -0.27 -0.06 0.00 0.34 0.00 0.00 59.36 59.66 1ffu h GLU 397 Cb -0.08 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1ffu h GLU 397 CO -0.08 0.85 -0.06 0.00 -1.16 0.00 0.00 179.01 178.56 1ffu h ARG 398 N 0.57 0.55 -0.65 2.33 2.47 -0.70 -2.77 114.38 116.17 1ffu h ARG 398 Ca 0.07 -0.21 -0.01 0.00 -1.26 0.00 0.00 59.98 58.58 1ffu h ARG 398 Cb 0.75 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 29.01 1ffu h ARG 398 CO 0.06 0.74 0.37 0.52 0.56 0.00 0.00 179.97 182.22 1ffu h MET 399 N 0.31 0.90 -0.80 0.04 2.86 -0.84 -1.89 114.93 115.51 1ffu h MET 399 Ca 0.07 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1ffu h MET 399 Cb 0.54 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 1ffu h MET 399 CO 0.03 0.67 0.51 0.28 1.06 0.00 0.00 176.91 179.45 1ffu h VAL 400 N 0.89 1.21 -0.46 -2.22 2.07 -1.22 -0.09 116.25 116.43 1ffu h VAL 400 Ca 0.23 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 1ffu h VAL 400 Cb 0.02 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.83 1ffu h VAL 400 CO -0.04 0.21 0.09 0.44 0.02 0.00 0.00 177.57 178.29 1ffu h ASP 401 N 1.09 0.72 -0.59 0.57 3.32 -1.14 0.48 116.42 120.87 1ffu h ASP 401 Ca 0.29 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1ffu h ASP 401 Cb -0.09 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 1ffu h ASP 401 CO -0.06 0.78 0.34 0.58 -1.72 0.00 0.00 179.24 179.17 1ffu h VAL 402 N 0.62 1.18 -0.41 -1.35 2.07 -0.56 -0.82 116.25 116.98 1ffu h VAL 402 Ca 0.14 -0.42 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 1ffu h VAL 402 Cb 0.36 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1ffu h VAL 402 CO 0.01 0.19 -0.16 0.25 0.02 0.00 0.00 177.57 177.88 1ffu h LEU 403 N 0.79 0.77 -0.31 2.57 5.85 -0.84 -2.14 115.31 122.00 1ffu h LEU 403 Ca 0.21 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1ffu h LEU 403 Cb 0.00 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 1ffu h LEU 403 CO -0.04 0.93 0.14 0.00 -0.34 0.00 0.00 178.44 179.14 1ffu h ALA 404 N 1.13 0.40 -0.32 1.25 0.00 -0.37 -2.40 119.26 118.96 1ffu h ALA 404 Ca 0.11 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1ffu h ALA 404 Cb 0.65 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1ffu h ALA 404 CO 0.05 -0.03 -0.12 1.96 0.00 0.00 0.00 179.25 181.11 1ffu h GLN 405 N 0.36 0.54 -0.30 0.00 4.20 -1.06 0.38 115.11 119.22 1ffu h GLN 405 Ca 0.10 -0.16 -0.12 0.00 0.06 0.00 0.00 58.65 58.54 1ffu h GLN 405 Cb 0.14 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1ffu h GLN 405 CO -0.01 0.65 -0.31 -0.22 -0.67 0.00 0.00 178.83 178.27 1ffu h LYS 406 N 0.50 0.63 -0.00 1.46 3.64 -1.21 -2.88 116.57 118.70 1ffu h LYS 406 Ca 0.09 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1ffu h LYS 406 Cb 0.50 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1ffu h LYS 406 CO 0.03 0.87 -0.23 1.28 -2.27 0.00 0.00 179.45 179.13 1ffu n LEU 407 N -4.08 0.54 -3.43 5.20 4.77 -0.92 -4.92 117.00 114.17 1ffu n LEU 407 Ca -0.01 0.01 -0.23 0.00 -0.03 0.00 0.00 56.01 55.76 1ffu n LEU 407 Cb 0.47 -0.23 0.07 0.00 -2.33 0.00 0.00 43.42 41.40 1ffu n LEU 407 CO 0.44 0.11 0.23 -3.20 -1.33 0.00 0.00 177.39 173.64 1ffu n ASN 408 N -1.10 -6.18 -4.59 -1.43 5.15 -0.46 -4.99 115.26 101.66 1ffu n ASN 408 Ca 0.11 -0.51 -0.34 0.00 -0.60 0.00 0.00 54.58 53.24 1ffu n ASN 408 Cb 0.32 -4.81 -0.11 0.00 -0.53 0.00 0.00 39.78 34.65 1ffu n ASN 408 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 1ffu s MET 409 N -6.24 2.78 0.22 1.20 1.75 -0.00 -5.03 119.30 113.98 1ffu s MET 409 Ca 0.55 -0.54 -0.32 0.00 -1.25 0.00 0.00 55.69 54.14 1ffu s MET 409 Cb -0.24 -2.61 -0.13 0.00 2.84 0.00 0.00 34.83 34.69 1ffu s MET 409 CO 0.68 0.66 1.60 -3.47 -0.65 0.00 0.00 175.02 173.85 1ffu n ASP 410 N 2.24 3.50 0.31 1.11 2.03 -1.26 -4.41 116.55 120.06 1ffu n ASP 410 Ca -0.18 1.10 0.17 0.00 0.52 0.00 0.00 54.79 56.40 1ffu n ASP 410 Cb 0.53 -1.51 0.99 0.00 -0.72 0.00 0.00 41.12 40.41 1ffu n ASP 410 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1ffu h LYS 411 N 5.69 0.00 0.17 -0.67 1.57 -1.96 -1.61 116.57 119.75 1ffu h LYS 411 Ca -0.45 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.01 1ffu h LYS 411 Cb 1.23 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.55 1ffu h LYS 411 CO 0.87 0.00 -1.60 0.00 -0.57 0.00 0.00 179.45 178.15 1ffu h ALA 412 N 1.99 0.12 -0.81 3.86 0.00 -1.97 -3.28 119.26 119.18 1ffu h ALA 412 Ca 0.00 -1.08 -0.00 0.00 0.00 0.00 0.00 54.91 53.82 1ffu h ALA 412 Cb 0.01 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1ffu h ALA 412 CO -0.00 0.91 0.49 1.49 0.00 0.00 0.00 179.25 182.14 1ffu h GLU 413 N -0.02 1.10 0.00 0.00 4.81 -1.80 -0.35 114.58 118.31 1ffu h GLU 413 Ca -0.32 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 58.75 1ffu h GLU 413 Cb 1.99 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 31.13 1ffu h GLU 413 CO 0.15 0.77 -0.29 0.97 -0.73 0.00 0.00 179.01 179.88 1ffu h ILE 414 N 1.11 0.97 0.01 2.32 2.10 -1.46 -1.79 117.51 120.76 1ffu h ILE 414 Ca 0.29 -1.10 -0.07 0.00 1.08 0.00 0.00 64.86 65.05 1ffu h ILE 414 Cb -0.05 1.64 0.01 0.00 -1.09 0.00 0.00 36.82 37.33 1ffu h ILE 414 CO -0.06 0.29 -0.30 0.03 -1.08 0.00 0.00 178.15 177.03 1ffu h ARG 415 N 0.00 0.18 -0.55 2.19 3.08 -1.40 -2.87 114.38 115.02 1ffu h ARG 415 Ca -0.00 -0.21 0.03 0.00 0.07 0.00 0.00 59.98 59.87 1ffu h ARG 415 Cb 0.62 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.70 1ffu h ARG 415 CO 0.04 0.97 0.36 0.00 -1.07 0.00 0.00 179.97 180.28 1ffu h ALA 416 N 0.21 1.72 0.00 0.04 0.00 -0.98 0.25 119.26 120.50 1ffu h ALA 416 Ca -0.04 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1ffu h ALA 416 Cb 1.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1ffu h ALA 416 CO 0.06 0.22 -0.41 -0.22 0.00 0.00 0.00 179.25 178.90 1ffu h LYS 417 N 0.64 0.00 -0.00 0.00 3.64 -1.36 -3.26 116.57 116.23 1ffu h LYS 417 Ca 0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1ffu h LYS 417 Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1ffu h LYS 417 CO -0.06 0.41 -0.91 0.09 -2.27 0.00 0.00 179.45 176.72 1ffu n ASN 418 N -3.62 0.91 -4.54 4.20 3.02 -0.34 -4.97 115.26 109.92 1ffu n ASN 418 Ca -0.01 -0.96 -0.37 0.00 -0.03 0.00 0.00 54.58 53.21 1ffu n ASN 418 Cb 0.52 1.00 0.05 0.00 -0.61 0.00 0.00 39.78 40.74 1ffu n ASN 418 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1ffu n PHE 419 N -1.45 0.04 -2.74 3.10 3.72 -0.07 -1.33 117.46 118.74 1ffu n PHE 419 Ca 0.04 0.42 -0.42 0.00 -0.05 0.00 0.00 57.45 57.44 1ffu n PHE 419 Cb 0.30 -2.04 -0.03 0.00 -0.94 0.00 0.00 39.48 36.77 1ffu n PHE 419 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1ffu s ILE 420 N -1.66 4.83 0.56 4.37 1.01 -0.45 -4.42 121.20 125.45 1ffu s ILE 420 Ca 0.72 1.97 -0.18 0.00 0.00 0.00 0.00 60.65 63.17 1ffu s ILE 420 Cb -0.41 -4.28 -0.05 0.00 0.01 0.00 0.00 42.46 37.72 1ffu s ILE 420 CO 0.51 0.07 1.08 -0.13 0.00 0.00 0.00 174.94 176.47 1ffu s ARG 421 N 1.65 3.37 0.28 2.79 0.52 -1.26 -4.64 118.95 121.67 1ffu s ARG 421 Ca 0.48 1.39 0.02 0.00 -0.52 0.00 0.00 55.73 57.11 1ffu s ARG 421 Cb -0.19 -2.03 0.66 0.00 0.52 0.00 0.00 34.95 33.91 1ffu s ARG 421 CO 0.20 -0.79 1.73 -0.22 0.02 0.00 0.00 175.30 176.24 1ffu h LYS 422 N 0.90 0.49 0.00 3.54 3.64 -1.95 -0.78 116.57 122.41 1ffu h LYS 422 Ca -0.48 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1ffu h LYS 422 Cb 1.24 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1ffu h LYS 422 CO 0.57 0.33 0.00 -0.85 -2.27 0.00 0.00 179.45 177.23 1ffu n GLU 423 N -4.96 0.04 0.07 1.90 -0.00 -1.26 -3.01 120.64 113.42 1ffu n GLU 423 Ca 0.20 0.26 0.13 0.00 -0.00 0.00 0.00 57.16 57.75 1ffu n GLU 423 Cb 0.57 -1.57 0.39 0.00 -0.00 0.00 0.00 31.44 30.83 1ffu n GLU 423 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1ffu n GLN 424 N -1.65 0.20 -2.88 3.44 6.02 -0.30 -4.85 117.38 117.37 1ffu n GLN 424 Ca 0.04 0.13 -0.38 0.00 -0.01 0.00 0.00 57.00 56.78 1ffu n GLN 424 Cb 0.20 -1.70 -0.06 0.00 1.02 0.00 0.00 30.24 29.70 1ffu n GLN 424 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1ffu s PHE 425 N -3.09 3.79 -0.02 1.08 0.08 -1.16 -2.74 117.98 115.91 1ffu s PHE 425 Ca 0.10 1.70 -0.30 0.00 0.12 0.00 0.00 56.93 58.56 1ffu s PHE 425 Cb 0.14 -2.84 -0.06 0.00 -0.57 0.00 0.00 43.02 39.69 1ffu s PHE 425 CO 0.61 0.35 1.63 -1.25 -0.10 0.00 0.00 175.22 176.46 1ffu s PRO 426 N -1.68 4.19 -0.25 0.24 0.04 -1.26 -5.02 135.00 131.27 1ffu s PRO 426 Ca 0.44 2.20 -0.11 0.00 0.04 0.00 0.00 61.00 63.57 1ffu s PRO 426 Cb -0.21 -3.87 -0.05 0.00 0.04 0.00 0.00 34.50 30.41 1ffu s PRO 426 CO 0.25 -0.80 0.20 -0.47 0.04 0.00 0.00 177.00 176.22 1ffu s TYR 427 N 3.61 3.30 -0.24 0.56 5.04 -0.89 -4.89 117.35 123.84 1ffu s TYR 427 Ca 0.73 0.25 -0.17 0.00 -2.44 0.00 0.00 57.07 55.44 1ffu s TYR 427 Cb -0.34 -2.33 -0.03 0.00 0.35 0.00 0.00 41.96 39.61 1ffu s TYR 427 CO 0.30 0.00 0.47 0.99 -1.34 0.00 0.00 175.55 175.97 1ffu s THR 428 N 1.26 5.12 0.86 4.34 2.01 -1.26 -0.65 115.64 127.32 1ffu s THR 428 Ca 0.09 0.80 -0.12 0.00 0.31 0.00 0.00 61.69 62.77 1ffu s THR 428 Cb -0.14 -3.79 0.15 0.00 0.01 0.00 0.00 72.50 68.73 1ffu s THR 428 CO 0.06 0.14 1.20 0.42 -0.69 0.00 0.00 174.62 175.76 1ffu s THR 429 N 1.98 2.06 0.46 -0.82 -4.23 -0.01 -4.93 115.64 110.15 1ffu s THR 429 Ca 0.20 -0.13 0.34 0.00 -1.18 0.00 0.00 61.69 60.92 1ffu s THR 429 Cb -0.15 -2.93 0.37 0.00 1.34 0.00 0.00 72.50 71.12 1ffu s THR 429 CO 0.09 0.00 2.18 0.06 -0.54 0.00 0.00 174.62 176.41 1ffu h GLN 430 N -1.21 0.00 0.00 3.99 3.07 -1.87 -1.35 115.11 117.74 1ffu h GLN 430 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.31 1ffu h GLN 430 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.83 1ffu h GLN 430 CO 0.47 0.05 -0.73 1.19 0.09 0.00 0.00 178.83 179.90 1ffu n PHE 431 N -3.40 0.11 0.00 0.06 3.72 -1.26 -4.55 117.46 112.13 1ffu n PHE 431 Ca -0.02 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1ffu n PHE 431 Cb 0.18 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.44 1ffu n PHE 431 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ffu n GLY 432 N 1.46 0.66 3.77 1.37 0.00 -0.51 -4.72 105.19 107.22 1ffu n GLY 432 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1ffu n GLY 432 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ffu s PHE 433 N -2.00 3.58 -0.63 1.61 0.08 -1.26 -4.77 117.98 114.59 1ffu s PHE 433 Ca 0.00 1.74 -0.06 0.00 0.12 0.00 0.00 56.93 58.74 1ffu s PHE 433 Cb 0.00 -3.06 0.16 0.00 -0.57 0.00 0.00 43.02 39.55 1ffu s PHE 433 CO 0.00 -0.16 0.47 -2.00 -0.10 0.00 0.00 175.22 173.43 1ffu s GLU 434 N -1.97 2.70 0.15 0.44 2.12 -1.26 -0.83 118.70 120.05 1ffu s GLU 434 Ca 0.50 -2.37 -0.32 0.00 0.36 0.00 0.00 54.97 53.15 1ffu s GLU 434 Cb -0.23 -3.87 -0.12 0.00 0.26 0.00 0.00 34.13 30.17 1ffu s GLU 434 CO 0.29 -1.19 1.75 0.66 -0.54 0.00 0.00 175.26 176.23 1ffu n TYR 435 N 3.84 2.59 0.03 5.30 4.02 0.17 -4.81 117.16 128.30 1ffu n TYR 435 Ca 0.06 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.83 1ffu n TYR 435 Cb 0.40 -2.67 -0.09 0.00 -0.02 0.00 0.00 39.34 36.96 1ffu n TYR 435 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 176.86 176.23 1ffu h ASP 436 N 7.47 -0.06 -4.96 7.72 2.03 -1.88 -2.37 116.42 124.37 1ffu h ASP 436 Ca -0.45 -0.33 0.11 0.00 -0.73 0.00 0.00 57.03 55.62 1ffu h ASP 436 Cb 1.22 0.01 -0.11 0.00 -0.83 0.00 0.00 39.33 39.62 1ffu h ASP 436 CO 0.94 0.31 0.42 -0.94 -1.03 0.00 0.00 179.24 178.94 1ffu s SER 437 N -5.49 -0.33 0.00 4.15 1.04 -1.26 -4.15 113.70 107.66 1ffu s SER 437 Ca -0.15 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1ffu s SER 437 Cb 0.03 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1ffu s SER 437 CO 0.65 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1ffu n GLY 438 N -0.36 0.70 2.63 7.32 0.00 -1.26 -4.86 105.19 109.35 1ffu n GLY 438 Ca -0.09 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.08 1ffu n GLY 438 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ffu n ASP 439 N 0.00 -2.35 -0.16 1.61 -0.08 -1.26 -4.39 116.55 109.91 1ffu n ASP 439 Ca 0.00 -3.03 -0.09 0.00 -1.51 0.00 0.00 54.79 50.16 1ffu n ASP 439 Cb 0.00 1.21 0.00 0.00 2.34 0.00 0.00 41.12 44.67 1ffu n ASP 439 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 1ffu h TYR 440 N 4.40 0.82 -0.21 -0.67 0.05 -1.97 -3.15 116.97 116.26 1ffu h TYR 440 Ca -0.02 -0.12 0.04 0.00 0.05 0.00 0.00 58.73 58.68 1ffu h TYR 440 Cb 1.02 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 38.49 1ffu h TYR 440 CO 0.11 0.77 -0.06 0.45 -1.05 0.00 0.00 178.16 178.39 1ffu h HIS 441 N 0.64 -0.12 -0.88 4.88 3.86 -1.95 -0.08 115.15 121.50 1ffu h HIS 441 Ca 0.14 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1ffu h HIS 441 Cb 0.39 0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.90 1ffu h HIS 441 CO 0.03 -0.09 0.54 1.15 0.86 0.00 0.00 177.93 180.42 1ffu h THR 442 N -0.01 1.24 -0.43 2.45 2.02 -2.00 -1.66 112.91 114.51 1ffu h THR 442 Ca 0.10 -0.50 -0.09 0.00 0.77 0.00 0.00 66.41 66.69 1ffu h THR 442 Cb 0.16 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 1ffu h THR 442 CO -0.22 0.24 -0.09 0.00 0.37 0.00 0.00 175.52 175.83 1ffu h ALA 443 N 1.30 0.59 0.14 6.16 0.00 -1.42 -2.08 119.26 123.95 1ffu h ALA 443 Ca 0.32 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ffu h ALA 443 Cb -0.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1ffu h ALA 443 CO -0.06 0.46 -0.07 1.25 0.00 0.00 0.00 179.25 180.83 1ffu h LEU 444 N 0.65 -0.16 -1.61 0.00 5.85 -0.70 -1.48 115.31 117.87 1ffu h LEU 444 Ca 0.11 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1ffu h LEU 444 Cb 0.62 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1ffu h LEU 444 CO 0.04 -0.04 0.30 0.50 -0.34 0.00 0.00 178.44 178.90 1ffu h LYS 445 N -0.27 0.51 -0.52 1.25 3.64 -1.31 -0.32 116.57 119.54 1ffu h LYS 445 Ca -0.02 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 1ffu h LYS 445 Cb 0.21 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1ffu h LYS 445 CO 0.03 0.34 0.15 -0.22 -2.27 0.00 0.00 179.45 177.47 1ffu h LYS 446 N 0.52 0.83 -0.05 1.90 3.64 -0.87 -1.15 116.57 121.39 1ffu h LYS 446 Ca 0.18 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1ffu h LYS 446 Cb 0.06 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1ffu h LYS 446 CO -0.04 0.77 -0.06 0.28 -2.27 0.00 0.00 179.45 178.13 1ffu h VAL 447 N 0.73 1.39 -0.93 2.00 2.07 -0.32 -2.48 116.25 118.71 1ffu h VAL 447 Ca 0.17 -1.25 0.07 0.00 0.82 0.00 0.00 66.70 66.50 1ffu h VAL 447 Cb 0.30 2.11 -0.06 0.00 -1.52 0.00 0.00 31.29 32.12 1ffu h VAL 447 CO -0.00 0.34 0.60 -0.07 0.02 0.00 0.00 177.57 178.46 1ffu h LEU 448 N -0.33 0.92 -0.09 2.57 3.38 -1.05 -2.50 115.31 118.22 1ffu h LEU 448 Ca 0.01 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1ffu h LEU 448 Cb 0.58 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1ffu h LEU 448 CO 0.01 0.58 -0.04 0.44 0.09 0.00 0.00 178.44 179.53 1ffu h ASP 449 N 1.04 0.19 -0.38 -0.43 3.45 -1.21 -0.66 116.42 118.42 1ffu h ASP 449 Ca 0.41 -0.40 0.03 0.00 0.43 0.00 0.00 57.03 57.49 1ffu h ASP 449 Cb 0.23 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 38.93 1ffu h ASP 449 CO -0.16 0.55 0.25 0.00 -1.57 0.00 0.00 179.24 178.32 1ffu h ALA 450 N 0.64 1.87 -0.02 3.45 0.00 -1.06 -2.21 119.26 121.94 1ffu h ALA 450 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ffu h ALA 450 Cb 0.48 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ffu h ALA 450 CO 0.01 0.08 -0.15 1.33 0.00 0.00 0.00 179.25 180.52 1ffu n VAL 451 N -4.48 0.00 -3.44 0.00 0.24 -0.98 -4.98 118.33 104.69 1ffu n VAL 451 Ca 0.04 -0.39 -0.22 0.00 -2.04 0.00 0.00 64.34 61.73 1ffu n VAL 451 Cb 0.16 1.29 0.06 0.00 -1.47 0.00 0.00 33.84 33.88 1ffu n VAL 451 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1ffu n ASP 452 N 0.76 -5.94 -0.24 -1.34 -0.08 -0.78 -4.73 116.55 104.20 1ffu n ASP 452 Ca 0.13 -0.83 0.04 0.00 -1.51 0.00 0.00 54.79 52.61 1ffu n ASP 452 Cb 0.53 -4.46 0.15 0.00 2.34 0.00 0.00 41.12 39.68 1ffu n ASP 452 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1ffu h TYR 453 N -1.44 0.08 -0.54 -0.67 3.20 -1.42 -1.42 116.97 114.76 1ffu h TYR 453 Ca -0.63 0.05 0.05 0.00 3.14 0.00 0.00 58.73 61.33 1ffu h TYR 453 Cb 1.33 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 39.63 1ffu h TYR 453 CO 0.32 -0.16 0.28 -1.00 -1.64 0.00 0.00 178.16 175.96 1ffu h PRO 454 N 0.17 0.52 -0.84 1.82 0.13 -1.90 -1.56 132.00 130.34 1ffu h PRO 454 Ca 0.38 -0.03 0.06 0.00 -0.87 0.00 0.00 66.00 65.54 1ffu h PRO 454 Cb 0.66 -0.12 -0.05 0.00 0.13 0.00 0.00 31.00 31.62 1ffu h PRO 454 CO -0.56 0.34 0.55 0.00 -0.23 0.00 0.00 178.00 178.10 1ffu h ALA 455 N 1.29 1.55 -0.13 -0.56 0.00 -1.63 -1.84 119.26 117.94 1ffu h ALA 455 Ca 0.24 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ffu h ALA 455 Cb 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1ffu h ALA 455 CO -0.16 0.33 0.08 -0.07 0.00 0.00 0.00 179.25 179.43 1ffu h LEU 456 N 0.96 0.16 -1.51 0.00 4.07 -0.61 -1.13 115.31 117.25 1ffu h LEU 456 Ca 0.35 -0.06 -0.03 0.00 0.08 0.00 0.00 57.88 58.23 1ffu h LEU 456 Cb 0.17 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 1ffu h LEU 456 CO -0.12 0.17 0.01 0.03 -1.08 0.00 0.00 178.44 177.45 1ffu h ARG 457 N 0.13 0.33 -0.34 1.13 2.47 -0.55 -1.12 114.38 116.43 1ffu h ARG 457 Ca 0.05 -0.05 -0.16 0.00 -1.26 0.00 0.00 59.98 58.56 1ffu h ARG 457 Cb 0.04 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.30 1ffu h ARG 457 CO -0.01 0.35 -0.40 0.00 0.56 0.00 0.00 179.97 180.47 1ffu h ALA 458 N 1.70 0.51 -0.68 0.04 0.00 -1.04 0.99 119.26 120.78 1ffu h ALA 458 Ca 0.08 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 1ffu h ALA 458 Cb 0.20 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1ffu h ALA 458 CO 0.00 0.62 0.21 1.49 0.00 0.00 0.00 179.25 181.58 1ffu h GLU 459 N 0.67 1.04 -0.34 0.00 4.81 -0.64 -0.01 114.58 120.11 1ffu h GLU 459 Ca 0.05 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 59.00 1ffu h GLU 459 Cb 0.99 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 1ffu h GLU 459 CO 0.10 0.89 -0.03 0.37 -0.73 0.00 0.00 179.01 179.60 1ffu h GLN 460 N 1.01 0.62 -0.76 1.92 4.15 -1.00 -1.45 115.11 119.59 1ffu h GLN 460 Ca 0.22 -0.21 -0.06 0.00 0.77 0.00 0.00 58.65 59.37 1ffu h GLN 460 Cb 0.28 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.89 1ffu h GLN 460 CO -0.01 0.76 0.25 0.00 -1.93 0.00 0.00 178.83 177.91 1ffu h ALA 461 N 0.84 1.00 -0.35 3.38 0.00 -0.55 -0.99 119.26 122.60 1ffu h ALA 461 Ca 0.09 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1ffu h ALA 461 Cb 0.50 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1ffu h ALA 461 CO 0.02 0.67 -0.15 0.00 0.00 0.00 0.00 179.25 179.79 1ffu h ALA 462 N 1.14 1.09 -0.07 0.00 0.00 -0.87 -2.26 119.26 118.29 1ffu h ALA 462 Ca 0.25 -0.31 -0.23 0.00 0.00 0.00 0.00 54.91 54.62 1ffu h ALA 462 Cb 0.29 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ffu h ALA 462 CO -0.01 0.56 -0.87 -0.09 0.00 0.00 0.00 179.25 178.84 1ffu h ARG 463 N 0.56 0.60 -0.11 0.00 2.43 -0.90 -3.16 114.38 113.81 1ffu h ARG 463 Ca 0.09 -0.56 -0.08 0.00 -0.81 0.00 0.00 59.98 58.63 1ffu h ARG 463 Cb 0.59 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 1ffu h ARG 463 CO 0.04 1.17 -0.29 0.00 -1.51 0.00 0.00 179.97 179.39 1ffu h ARG 464 N 0.38 0.20 0.00 0.20 3.08 -1.08 -2.78 114.38 114.37 1ffu h ARG 464 Ca -0.07 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 1ffu h ARG 464 Cb 1.49 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.53 1ffu h ARG 464 CO 0.16 0.47 -0.09 0.00 -1.07 0.00 0.00 179.97 179.45 1ffu h ALA 465 N 1.53 1.82 -2.30 0.04 0.00 -1.37 -3.38 119.26 115.61 1ffu h ALA 465 Ca 0.03 -0.08 -0.67 0.00 0.00 0.00 0.00 54.91 54.18 1ffu h ALA 465 Cb 0.60 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.21 1ffu h ALA 465 CO 0.04 0.11 -0.06 0.34 0.00 0.00 0.00 179.25 179.69 1ffu s ASP 466 N -6.98 6.26 0.00 0.00 -1.08 -1.05 -4.93 116.67 108.89 1ffu s ASP 466 Ca -0.04 -0.48 0.12 0.00 -0.52 0.00 0.00 52.55 51.62 1ffu s ASP 466 Cb 0.16 -2.27 0.58 0.00 -1.46 0.00 0.00 42.92 39.94 1ffu s ASP 466 CO 0.68 -0.66 1.32 -0.81 0.52 0.00 0.00 175.17 176.22 1ffu n PRO 467 N 5.89 0.12 0.00 4.34 -0.04 -1.26 -2.34 135.00 141.71 1ffu n PRO 467 Ca -0.05 0.21 0.10 0.00 -0.04 0.00 0.00 63.50 63.72 1ffu n PRO 467 Cb 0.48 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 1ffu n PRO 467 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ffu n ASN 468 N -1.35 1.72 -4.60 3.54 5.03 -1.26 -4.98 115.26 113.37 1ffu n ASN 468 Ca 0.05 -1.36 -0.56 0.00 0.87 0.00 0.00 54.58 53.58 1ffu n ASN 468 Cb 0.11 0.56 -0.08 0.00 -1.02 0.00 0.00 39.78 39.35 1ffu n ASN 468 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1ffu n SER 469 N -0.28 2.17 0.26 6.41 7.64 -0.99 -4.80 113.62 124.03 1ffu n SER 469 Ca 0.07 0.87 0.17 0.00 1.01 0.00 0.00 58.87 61.00 1ffu n SER 469 Cb 0.40 -1.14 0.91 0.00 -1.01 0.00 0.00 64.21 63.36 1ffu n SER 469 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1ffu h PRO 470 N 8.67 0.00 -5.00 1.43 0.13 -1.92 -3.44 132.00 131.86 1ffu h PRO 470 Ca -0.38 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.41 1ffu h PRO 470 Cb 1.33 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.31 1ffu h PRO 470 CO 0.99 0.00 -0.68 0.95 -0.23 0.00 0.00 178.00 179.03 1ffu s THR 471 N -3.86 0.99 -0.08 1.56 -4.23 -1.26 -2.30 115.64 106.47 1ffu s THR 471 Ca -0.04 -2.03 0.01 0.00 -1.18 0.00 0.00 61.69 58.45 1ffu s THR 471 Cb 0.10 -2.10 -0.03 0.00 1.34 0.00 0.00 72.50 71.81 1ffu s THR 471 CO 0.30 -0.52 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.03 1ffu s LEU 472 N -3.22 3.16 -0.16 4.79 1.43 -0.37 -4.93 118.68 119.39 1ffu s LEU 472 Ca 0.23 -0.04 -0.06 0.00 -1.03 0.00 0.00 54.13 53.24 1ffu s LEU 472 Cb 0.05 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 1ffu s LEU 472 CO 0.04 0.35 0.03 -0.32 0.23 0.00 0.00 176.35 176.68 1ffu s MET 473 N -0.71 3.74 -0.01 1.70 -2.45 -1.26 -0.89 119.30 119.42 1ffu s MET 473 Ca 0.11 -0.40 0.04 0.00 -1.25 0.00 0.00 55.69 54.19 1ffu s MET 473 Cb -0.11 -3.07 -0.01 0.00 1.25 0.00 0.00 34.83 32.89 1ffu s MET 473 CO 0.02 0.34 -0.14 0.20 1.05 0.00 0.00 175.02 176.49 1ffu s GLY 474 N 0.15 0.69 -0.18 2.11 0.00 -0.36 -4.25 107.32 105.48 1ffu s GLY 474 Ca 0.03 -0.60 0.01 0.00 0.00 0.00 0.00 44.72 44.15 1ffu s GLY 474 CO 0.01 -0.49 -0.11 -0.42 0.00 0.00 0.00 173.10 172.10 1ffu s ILE 475 N -0.31 1.57 -0.10 0.90 1.01 -1.25 -1.02 121.20 122.01 1ffu s ILE 475 Ca 0.05 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.80 1ffu s ILE 475 Cb -0.06 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 1ffu s ILE 475 CO -0.00 0.23 -0.06 -0.83 0.00 0.00 0.00 174.94 174.27 1ffu s GLY 476 N 1.44 1.70 -0.04 6.18 0.00 0.03 -4.42 107.32 112.22 1ffu s GLY 476 Ca 0.00 -0.86 0.01 0.00 0.00 0.00 0.00 44.72 43.87 1ffu s GLY 476 CO -0.09 -0.47 -0.03 -2.27 0.00 0.00 0.00 173.10 170.24 1ffu s LEU 477 N -0.43 1.27 -0.05 0.66 2.96 -1.26 -0.67 118.68 121.16 1ffu s LEU 477 Ca 0.07 -0.10 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 1ffu s LEU 477 Cb -0.12 -0.38 0.02 0.00 0.50 0.00 0.00 46.19 46.21 1ffu s LEU 477 CO 0.02 -0.07 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.22 1ffu s VAL 478 N 0.95 0.70 -0.27 1.68 1.01 -0.13 -4.93 120.40 119.41 1ffu s VAL 478 Ca -0.11 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1ffu s VAL 478 Cb -0.14 -0.69 0.07 0.00 0.00 0.00 0.00 36.38 35.63 1ffu s VAL 478 CO -0.00 0.26 -0.02 0.42 0.00 0.00 0.00 175.10 175.75 1ffu s THR 479 N 0.77 1.76 0.24 3.92 -4.23 -1.26 -0.41 115.64 116.43 1ffu s THR 479 Ca -0.12 -1.59 0.08 0.00 -1.18 0.00 0.00 61.69 58.87 1ffu s THR 479 Cb -0.14 -2.09 -0.05 0.00 1.34 0.00 0.00 72.50 71.55 1ffu s THR 479 CO 0.01 -0.27 -0.12 0.72 -0.54 0.00 0.00 174.62 174.42 1ffu s PHE 480 N 1.24 1.83 -0.09 3.99 -0.71 0.03 -4.56 117.98 119.72 1ffu s PHE 480 Ca -0.01 -0.60 0.03 0.00 -1.04 0.00 0.00 56.93 55.31 1ffu s PHE 480 Cb -0.19 -0.92 0.01 0.00 -1.21 0.00 0.00 43.02 40.71 1ffu s PHE 480 CO -0.09 0.35 -0.17 0.99 -1.34 0.00 0.00 175.22 174.97 1ffu s THR 481 N -2.96 1.55 0.48 -4.49 2.01 -1.26 -0.65 115.64 110.32 1ffu s THR 481 Ca 0.25 -0.71 0.06 0.00 0.31 0.00 0.00 61.69 61.60 1ffu s THR 481 Cb 0.01 -1.39 0.03 0.00 0.01 0.00 0.00 72.50 71.16 1ffu s THR 481 CO 0.09 0.45 0.66 -1.61 -0.69 0.00 0.00 174.62 173.52 1ffu s GLU 482 N 0.66 2.67 -0.32 4.92 0.41 0.98 -4.90 118.70 123.12 1ffu s GLU 482 Ca -0.13 -1.12 0.00 0.00 -0.41 0.00 0.00 54.97 53.31 1ffu s GLU 482 Cb -0.16 -2.65 0.14 0.00 -1.78 0.00 0.00 34.13 29.67 1ffu s GLU 482 CO 0.04 -0.48 0.29 0.54 -0.49 0.00 0.00 175.26 175.16 1ffu s VAL 483 N -2.52 -0.30 0.12 2.63 0.11 -1.26 -3.92 120.40 115.27 1ffu s VAL 483 Ca 0.56 -0.78 0.07 0.00 -2.93 0.00 0.00 61.98 58.90 1ffu s VAL 483 Cb -0.10 -0.91 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1ffu s VAL 483 CO 0.35 -0.58 -0.17 0.68 -3.33 0.00 0.00 175.10 172.05 1ffu s VAL 484 N 1.93 1.55 0.00 2.04 -7.23 -0.31 -4.88 120.40 113.51 1ffu s VAL 484 Ca 0.12 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 1ffu s VAL 484 Cb -0.15 -1.57 0.00 0.00 0.56 0.00 0.00 36.38 35.22 1ffu s VAL 484 CO -0.21 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 174.93 1ffu n GLY 485 N 0.72 0.88 3.40 2.32 0.00 -1.25 -1.05 105.19 110.22 1ffu n GLY 485 Ca -0.17 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.29 1ffu n GLY 485 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ffu n ALA 486 N 0.00 0.43 0.18 4.61 0.00 -1.26 -4.67 120.51 119.80 1ffu n ALA 486 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1ffu n ALA 486 Cb 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.18 1ffu n ALA 486 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ffu n GLY 487 N 6.58 -1.19 1.85 0.00 0.00 -1.25 -4.75 105.19 106.42 1ffu n GLY 487 Ca 0.45 0.22 -0.24 0.00 0.00 0.00 0.00 46.02 46.45 1ffu n GLY 487 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ffu n PRO 488 N -3.37 0.00 0.23 1.61 -0.02 -1.22 -3.18 135.00 129.06 1ffu n PRO 488 Ca 0.00 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.66 1ffu n PRO 488 Cb 0.00 -0.80 0.87 0.00 -0.02 0.00 0.00 33.50 33.55 1ffu n PRO 488 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ffu h SER 489 N 6.09 0.00 -0.40 2.55 4.64 -1.83 1.05 113.55 125.66 1ffu h SER 489 Ca -0.03 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.23 1ffu h SER 489 Cb 0.71 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 1ffu h SER 489 CO 0.71 0.00 0.05 0.50 -0.87 0.00 0.00 176.83 177.22 1ffu h LYS 490 N 0.00 0.76 0.00 4.77 3.64 -1.96 -3.34 116.57 120.44 1ffu h LYS 490 Ca 0.07 -0.18 -0.06 0.00 -1.27 0.00 0.00 60.65 59.21 1ffu h LYS 490 Cb 0.53 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1ffu h LYS 490 CO -0.00 0.74 -1.34 0.00 -2.27 0.00 0.00 179.45 176.58 1ffu n MET 491 N -4.25 1.85 -4.27 1.90 0.00 -0.37 -5.02 117.12 106.97 1ffu n MET 491 Ca 0.03 -0.03 -0.34 0.00 0.00 0.00 0.00 57.70 57.36 1ffu n MET 491 Cb 0.26 -1.14 -0.14 0.00 0.00 0.00 0.00 33.22 32.20 1ffu n MET 491 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1ffu s ASP 493 N 0.99 -0.55 -0.35 0.00 1.47 -1.26 -1.81 116.67 115.15 1ffu s ASP 493 Ca -0.01 0.92 -0.10 0.00 1.18 0.00 0.00 52.55 54.54 1ffu s ASP 493 Cb -0.15 0.93 0.02 0.00 -0.34 0.00 0.00 42.92 43.38 1ffu s ASP 493 CO -0.01 -0.31 0.18 -0.63 0.68 0.00 0.00 175.17 175.08 1ffu s ILE 494 N -0.21 4.47 -1.50 2.11 -1.09 -0.06 -0.27 121.20 124.65 1ffu s ILE 494 Ca -0.04 -0.78 -0.13 0.00 -2.23 0.00 0.00 60.65 57.47 1ffu s ILE 494 Cb -0.03 -3.44 0.09 0.00 -1.58 0.00 0.00 42.46 37.49 1ffu s ILE 494 CO 0.03 -0.15 0.80 0.18 -1.23 0.00 0.00 174.94 174.57 1ffu n LEU 495 N 4.97 -2.16 0.00 2.97 4.77 -1.26 -0.85 117.00 125.44 1ffu n LEU 495 Ca -0.12 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 1ffu n LEU 495 Cb 0.47 -2.40 0.00 0.00 -2.33 0.00 0.00 43.42 39.16 1ffu n LEU 495 CO 0.35 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1ffu n GLY 496 N -1.49 1.17 3.62 -0.72 0.00 -1.26 -5.04 105.19 101.46 1ffu n GLY 496 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1ffu n GLY 496 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ffu s VAL 497 N -2.50 5.09 0.35 1.61 1.01 -0.03 -5.02 120.40 120.91 1ffu s VAL 497 Ca 0.00 0.83 -0.26 0.00 0.00 0.00 0.00 61.98 62.55 1ffu s VAL 497 Cb 0.00 -3.81 -0.12 0.00 0.00 0.00 0.00 36.38 32.45 1ffu s VAL 497 CO 0.00 0.10 1.03 0.61 0.00 0.00 0.00 175.10 176.84 1ffu n GLY 498 N 4.43 -0.16 2.32 4.51 0.00 -1.26 -0.89 105.19 114.14 1ffu n GLY 498 Ca -0.05 0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1ffu n GLY 498 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ffu n MET 499 N 0.46 3.62 -0.90 1.61 0.00 -0.75 -4.80 117.12 116.36 1ffu n MET 499 Ca 0.09 -2.33 -0.01 0.00 0.00 0.00 0.00 57.70 55.44 1ffu n MET 499 Cb 0.36 -2.62 0.01 0.00 0.00 0.00 0.00 33.22 30.96 1ffu n MET 499 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 175.97 177.94 1ffu n PHE 500 N 2.88 -3.18 -3.67 2.03 1.16 -1.26 -3.83 117.46 111.59 1ffu n PHE 500 Ca 0.69 -0.11 -0.08 0.00 -1.87 0.00 0.00 57.45 56.08 1ffu n PHE 500 Cb 0.34 -0.04 -0.02 0.00 -1.61 0.00 0.00 39.48 38.16 1ffu n PHE 500 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1ffu s ASP 501 N -1.23 -0.33 0.25 5.98 2.15 -1.09 -3.83 116.67 118.56 1ffu s ASP 501 Ca 0.04 -0.32 0.02 0.00 0.43 0.00 0.00 52.55 52.72 1ffu s ASP 501 Cb -0.00 0.59 -0.04 0.00 -0.30 0.00 0.00 42.92 43.17 1ffu s ASP 501 CO 0.02 -1.03 0.17 -0.94 -0.17 0.00 0.00 175.17 173.22 1ffu s SER 502 N -2.82 0.71 -0.24 -0.34 1.04 -1.25 -0.13 113.70 110.67 1ffu s SER 502 Ca 0.08 -1.50 -0.14 0.00 0.48 0.00 0.00 55.95 54.87 1ffu s SER 502 Cb -0.03 0.42 0.07 0.00 0.10 0.00 0.00 66.02 66.58 1ffu s SER 502 CO -0.02 -0.90 0.58 0.00 0.98 0.00 0.00 173.24 173.88 1ffu s GLU 504 N 1.50 3.08 -0.05 0.00 2.12 0.29 -1.59 118.70 124.05 1ffu s GLU 504 Ca -0.09 -0.81 0.06 0.00 0.36 0.00 0.00 54.97 54.49 1ffu s GLU 504 Cb -0.06 -2.55 -0.01 0.00 0.26 0.00 0.00 34.13 31.76 1ffu s GLU 504 CO -0.16 -0.08 -0.24 0.42 -0.54 0.00 0.00 175.26 174.66 1ffu s ILE 505 N 1.00 2.12 -0.11 -3.70 1.01 -0.30 -0.88 121.20 120.33 1ffu s ILE 505 Ca -0.02 -1.05 -0.01 0.00 0.00 0.00 0.00 60.65 59.57 1ffu s ILE 505 Cb -0.15 -1.77 0.03 0.00 0.01 0.00 0.00 42.46 40.59 1ffu s ILE 505 CO -0.05 0.57 -0.03 -0.60 0.00 0.00 0.00 174.94 174.83 1ffu s ARG 506 N -0.24 1.07 -0.02 2.79 3.52 -0.32 -1.05 118.95 124.69 1ffu s ARG 506 Ca -0.01 -0.17 -0.21 0.00 -0.13 0.00 0.00 55.73 55.21 1ffu s ARG 506 Cb -0.13 -1.46 -0.05 0.00 -1.56 0.00 0.00 34.95 31.75 1ffu s ARG 506 CO 0.03 -0.34 0.61 0.42 -0.81 0.00 0.00 175.30 175.21 1ffu s ILE 507 N 1.81 4.95 0.51 4.11 1.09 -0.09 -2.07 121.20 131.52 1ffu s ILE 507 Ca 0.04 1.28 -0.05 0.00 -1.10 0.00 0.00 60.65 60.81 1ffu s ILE 507 Cb -0.13 -3.95 -0.03 0.00 -1.06 0.00 0.00 42.46 37.29 1ffu s ILE 507 CO -0.07 0.37 0.81 -1.00 -0.10 0.00 0.00 174.94 174.96 1ffu s HIS 508 N 0.08 3.49 0.42 3.97 3.76 -0.23 -4.48 115.29 122.29 1ffu s HIS 508 Ca 0.32 0.77 0.21 0.00 -0.15 0.00 0.00 55.06 56.22 1ffu s HIS 508 Cb -0.18 -2.41 1.17 0.00 1.11 0.00 0.00 32.58 32.28 1ffu s HIS 508 CO 0.17 -0.41 1.77 -1.35 -0.85 0.00 0.00 174.74 174.08 1ffu h PRO 509 N 0.13 0.32 -0.39 8.40 0.11 -1.88 -1.63 132.00 137.06 1ffu h PRO 509 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ffu h PRO 509 Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1ffu h PRO 509 CO 0.61 0.21 0.00 0.25 -0.21 0.00 0.00 178.00 178.86 1ffu n THR 510 N -4.57 0.52 0.00 -1.15 -2.24 -1.26 -3.11 114.28 102.47 1ffu n THR 510 Ca 0.26 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1ffu n THR 510 Cb 0.94 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 1ffu n THR 510 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ffu n GLY 511 N 1.26 2.78 3.94 3.38 0.00 -0.61 -4.95 105.19 110.98 1ffu n GLY 511 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1ffu n GLY 511 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ffu s SER 512 N -0.53 3.21 0.15 1.61 1.04 -1.26 -4.78 113.70 113.13 1ffu s SER 512 Ca 0.00 0.22 -0.15 0.00 0.48 0.00 0.00 55.95 56.50 1ffu s SER 512 Cb 0.00 -0.28 0.02 0.00 0.10 0.00 0.00 66.02 65.86 1ffu s SER 512 CO 0.00 -2.67 0.40 0.00 0.98 0.00 0.00 173.24 171.95 1ffu s ALA 513 N -3.83 -0.74 -0.03 5.32 0.00 -1.01 -1.07 121.76 120.40 1ffu s ALA 513 Ca 0.73 -0.27 0.05 0.00 0.00 0.00 0.00 51.96 52.47 1ffu s ALA 513 Cb -0.04 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 1ffu s ALA 513 CO 0.52 -0.68 -0.18 -1.50 0.00 0.00 0.00 175.76 173.92 1ffu s ILE 514 N -3.85 1.50 -0.01 0.00 2.07 -0.88 -0.99 121.20 119.04 1ffu s ILE 514 Ca 0.07 -0.78 0.02 0.00 -1.41 0.00 0.00 60.65 58.55 1ffu s ILE 514 Cb 0.01 -1.27 -0.00 0.00 0.13 0.00 0.00 42.46 41.33 1ffu s ILE 514 CO -0.07 0.43 -0.05 0.00 -1.91 0.00 0.00 174.94 173.33 1ffu s ALA 515 N -0.14 0.48 0.02 1.50 0.00 0.06 -1.18 121.76 122.50 1ffu s ALA 515 Ca -0.00 -0.21 0.04 0.00 0.00 0.00 0.00 51.96 51.79 1ffu s ALA 515 Cb -0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 1ffu s ALA 515 CO 0.01 0.10 -0.13 1.03 0.00 0.00 0.00 175.76 176.78 1ffu s ARG 516 N -0.02 0.92 0.25 0.00 0.52 -0.06 -1.36 118.95 119.21 1ffu s ARG 516 Ca 0.01 -0.62 0.06 0.00 -0.52 0.00 0.00 55.73 54.66 1ffu s ARG 516 Cb -0.04 -0.91 -0.05 0.00 0.52 0.00 0.00 34.95 34.47 1ffu s ARG 516 CO -0.00 0.23 -0.05 -1.64 0.02 0.00 0.00 175.30 173.86 1ffu s MET 517 N -0.79 1.44 0.00 3.54 -1.94 -1.17 -0.55 119.30 119.83 1ffu s MET 517 Ca 0.02 -1.71 0.18 0.00 -1.71 0.00 0.00 55.69 52.47 1ffu s MET 517 Cb -0.07 -0.95 0.84 0.00 2.01 0.00 0.00 34.83 36.66 1ffu s MET 517 CO 0.00 0.01 1.57 0.41 -0.01 0.00 0.00 175.02 177.00 1ffu n GLY 518 N -0.49 -0.36 1.10 -0.03 0.00 -0.83 -4.42 105.19 100.16 1ffu n GLY 518 Ca -0.06 -0.25 -0.06 0.00 0.00 0.00 0.00 46.02 45.65 1ffu n GLY 518 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ffu n THR 519 N -0.22 0.00 -3.15 2.61 -2.24 -1.26 -2.13 114.28 107.89 1ffu n THR 519 Ca 0.14 -0.47 0.04 0.00 -2.27 0.00 0.00 64.05 61.49 1ffu n THR 519 Cb 0.19 -1.15 -0.01 0.00 -2.10 0.00 0.00 70.33 67.26 1ffu n THR 519 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1ffu s ILE 520 N -0.53 -0.94 0.73 2.28 1.10 -1.26 -3.50 121.20 119.08 1ffu s ILE 520 Ca 0.18 0.00 -0.12 0.00 -0.51 0.00 0.00 60.65 60.20 1ffu s ILE 520 Cb -0.01 -0.99 0.04 0.00 0.15 0.00 0.00 42.46 41.65 1ffu s ILE 520 CO 0.12 0.00 1.11 0.28 -2.11 0.00 0.00 174.94 174.34 1ffu s THR 521 N 2.86 3.19 -0.05 4.00 -1.32 -1.26 -4.40 115.64 118.66 1ffu s THR 521 Ca 0.17 0.46 0.20 0.00 -1.21 0.00 0.00 61.69 61.32 1ffu s THR 521 Cb -0.14 -2.94 0.39 0.00 -1.51 0.00 0.00 72.50 68.31 1ffu s THR 521 CO -0.21 -0.43 1.17 0.00 -2.21 0.00 0.00 174.62 172.93 1ffu n GLN 522 N -3.08 0.41 0.00 7.08 3.00 -1.26 -4.63 117.38 118.90 1ffu n GLN 522 Ca 0.10 -2.25 0.00 0.00 -0.01 0.00 0.00 57.00 54.84 1ffu n GLN 522 Cb 0.52 -0.46 0.00 0.00 0.00 0.00 0.00 30.24 30.30 1ffu n GLN 522 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ffu n GLY 523 N 0.02 1.03 0.00 1.08 0.00 -1.26 -2.91 105.19 103.15 1ffu n GLY 523 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.24 1ffu n GLY 523 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ffu n GLN 524 N -0.19 0.70 -0.53 1.61 0.00 -1.26 -4.92 117.38 112.79 1ffu n GLN 524 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 57.00 57.01 1ffu n GLN 524 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.74 1ffu n GLN 524 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ffu n GLY 525 N 0.80 0.67 0.37 2.61 0.00 -1.26 -4.97 105.19 103.41 1ffu n GLY 525 Ca 0.18 -0.56 0.16 0.00 0.00 0.00 0.00 46.02 45.80 1ffu n GLY 525 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1ffu h HIS 526 N 0.00 0.91 0.00 1.61 3.86 -1.97 0.72 115.15 120.28 1ffu h HIS 526 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1ffu h HIS 526 Cb 0.00 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.20 1ffu h HIS 526 CO 0.00 0.17 0.00 1.96 0.86 0.00 0.00 177.93 180.92 1ffu h GLN 527 N 0.63 0.00 0.00 2.45 4.20 -1.94 0.14 115.11 120.59 1ffu h GLN 527 Ca 0.57 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.25 1ffu h GLN 527 Cb 1.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.85 1ffu h GLN 527 CO -0.35 0.00 -1.01 2.41 -0.67 0.00 0.00 178.83 179.22 1ffu n THR 528 N -3.06 1.49 -0.12 -0.54 -1.04 0.11 -4.27 114.28 106.84 1ffu n THR 528 Ca -0.02 0.12 -0.06 0.00 -2.04 0.00 0.00 64.05 62.05 1ffu n THR 528 Cb 0.12 -2.33 0.03 0.00 -1.82 0.00 0.00 70.33 66.33 1ffu n THR 528 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1ffu h THR 529 N -1.00 0.92 -0.86 12.58 1.35 -1.14 -1.56 112.91 123.20 1ffu h THR 529 Ca -0.05 -0.12 0.04 0.00 -0.55 0.00 0.00 66.41 65.73 1ffu h THR 529 Cb 0.95 0.54 -0.05 0.00 -1.73 0.00 0.00 68.15 67.86 1ffu h THR 529 CO -0.03 0.06 0.55 1.88 -0.25 0.00 0.00 175.52 177.74 1ffu h TYR 530 N 0.35 1.03 -0.55 4.73 -1.99 -0.95 -1.02 116.97 118.57 1ffu h TYR 530 Ca 0.18 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.91 1ffu h TYR 530 Cb 0.13 -0.34 -0.03 0.00 2.00 0.00 0.00 36.73 38.49 1ffu h TYR 530 CO -0.13 0.58 0.22 0.00 -0.00 0.00 0.00 178.16 178.84 1ffu h ALA 531 N 1.36 1.36 -0.58 3.88 0.00 -1.52 -2.47 119.26 121.30 1ffu h ALA 531 Ca 0.35 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1ffu h ALA 531 Cb 0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1ffu h ALA 531 CO -0.12 0.48 0.08 1.96 0.00 0.00 0.00 179.25 181.65 1ffu h GLN 532 N 0.78 0.93 -0.13 0.00 4.20 -0.25 -0.07 115.11 120.57 1ffu h GLN 532 Ca 0.19 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1ffu h GLN 532 Cb 0.15 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1ffu h GLN 532 CO -0.02 0.87 0.08 0.82 -0.67 0.00 0.00 178.83 179.91 1ffu h ILE 533 N 0.88 1.07 -0.24 2.54 2.04 -0.95 -2.76 117.51 120.08 1ffu h ILE 533 Ca 0.18 -0.17 -0.11 0.00 1.00 0.00 0.00 64.86 65.75 1ffu h ILE 533 Cb 0.40 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1ffu h ILE 533 CO 0.01 0.06 -0.33 0.40 0.00 0.00 0.00 178.15 178.30 1ffu h ILE 534 N 0.14 1.28 -0.22 -0.67 2.04 -1.37 -2.71 117.51 116.00 1ffu h ILE 534 Ca 0.05 -1.42 0.05 0.00 1.00 0.00 0.00 64.86 64.53 1ffu h ILE 534 Cb 0.03 1.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 1ffu h ILE 534 CO -0.01 0.45 -0.10 0.00 0.00 0.00 0.00 178.15 178.49 1ffu h ALA 535 N 1.21 0.08 -0.35 1.87 0.00 -0.77 0.06 119.26 121.36 1ffu h ALA 535 Ca 0.05 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1ffu h ALA 535 Cb 0.78 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1ffu h ALA 535 CO 0.06 -0.52 -0.23 1.15 0.00 0.00 0.00 179.25 179.70 1ffu h THR 536 N -0.08 1.27 0.00 0.00 2.02 -1.45 0.17 112.91 114.84 1ffu h THR 536 Ca 0.12 -1.33 -0.08 0.00 0.77 0.00 0.00 66.41 65.89 1ffu h THR 536 Cb 0.26 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1ffu h THR 536 CO -0.27 0.44 -0.39 -0.33 0.37 0.00 0.00 175.52 175.34 1ffu h GLU 537 N 0.61 0.00 0.00 6.66 4.39 -1.08 -3.35 114.58 121.81 1ffu h GLU 537 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1ffu h GLU 537 Cb 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1ffu h GLU 537 CO 0.06 0.39 0.00 1.28 -1.16 0.00 0.00 179.01 179.58 1ffu n LEU 538 N -3.66 0.66 -1.66 1.33 4.77 -0.04 -4.87 117.00 113.53 1ffu n LEU 538 Ca -0.01 -0.76 -0.13 0.00 -0.03 0.00 0.00 56.01 55.07 1ffu n LEU 538 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1ffu n LEU 538 CO 0.37 0.17 -0.11 0.61 -1.33 0.00 0.00 177.39 177.09 1ffu n GLY 539 N 0.20 -0.14 3.29 -0.72 0.00 0.57 -4.81 105.19 103.57 1ffu n GLY 539 Ca 0.00 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 1ffu n GLY 539 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ffu s ILE 540 N -2.75 2.79 0.19 -0.61 1.01 -1.15 -4.74 121.20 115.93 1ffu s ILE 540 Ca 0.06 -0.73 -0.33 0.00 0.00 0.00 0.00 60.65 59.65 1ffu s ILE 540 Cb -0.03 -2.18 -0.14 0.00 0.01 0.00 0.00 42.46 40.12 1ffu s ILE 540 CO 0.08 0.51 1.49 -0.81 0.00 0.00 0.00 174.94 176.20 1ffu n PRO 541 N 4.02 2.02 -0.17 2.79 -0.04 -1.26 -4.16 135.00 138.19 1ffu n PRO 541 Ca -0.19 0.72 0.28 0.00 -0.04 0.00 0.00 63.50 64.28 1ffu n PRO 541 Cb 0.52 -2.43 0.72 0.00 -0.04 0.00 0.00 33.50 32.26 1ffu n PRO 541 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ffu h SER 542 N 5.11 0.01 -0.37 3.54 4.64 -1.41 -2.11 113.55 122.95 1ffu h SER 542 Ca -0.45 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.89 1ffu h SER 542 Cb 1.27 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 1ffu h SER 542 CO 0.83 0.00 0.25 -0.08 -0.87 0.00 0.00 176.83 176.95 1ffu h GLU 543 N 0.01 0.42 -0.60 4.77 4.57 -1.88 -2.63 114.58 119.24 1ffu h GLU 543 Ca 0.42 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.58 1ffu h GLU 543 Cb 1.68 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 30.18 1ffu h GLU 543 CO -0.01 0.28 0.00 1.33 -1.18 0.00 0.00 179.01 179.43 1ffu n VAL 544 N -4.48 1.28 -3.30 0.32 0.24 -0.80 -4.77 118.33 106.82 1ffu n VAL 544 Ca 0.03 -1.09 -0.46 0.00 -2.04 0.00 0.00 64.34 60.77 1ffu n VAL 544 Cb 0.11 0.37 -0.04 0.00 -1.47 0.00 0.00 33.84 32.81 1ffu n VAL 544 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1ffu s ILE 545 N -1.31 5.30 -0.31 1.34 1.01 -0.99 -2.40 121.20 123.84 1ffu s ILE 545 Ca 0.43 -1.75 -0.26 0.00 0.00 0.00 0.00 60.65 59.07 1ffu s ILE 545 Cb 0.25 -4.39 0.01 0.00 0.01 0.00 0.00 42.46 38.34 1ffu s ILE 545 CO 0.26 -0.93 0.93 -1.10 0.00 0.00 0.00 174.94 174.10 1ffu s GLN 546 N 1.25 4.01 -0.04 2.79 -1.52 -0.16 -4.79 119.66 121.19 1ffu s GLN 546 Ca 0.08 0.83 -0.01 0.00 -1.95 0.00 0.00 55.36 54.31 1ffu s GLN 546 Cb -0.24 -3.73 -0.04 0.00 -0.22 0.00 0.00 33.01 28.78 1ffu s GLN 546 CO -0.00 -0.80 0.02 0.14 -0.25 0.00 0.00 175.29 174.40 1ffu s VAL 547 N 3.31 4.39 0.04 1.09 -7.23 -1.26 -0.76 120.40 119.97 1ffu s VAL 547 Ca 0.39 -0.38 0.01 0.00 -1.81 0.00 0.00 61.98 60.19 1ffu s VAL 547 Cb -0.13 -2.92 -0.02 0.00 0.56 0.00 0.00 36.38 33.87 1ffu s VAL 547 CO 0.14 0.48 -0.06 -1.61 -0.31 0.00 0.00 175.10 173.74 1ffu s GLU 548 N -1.29 0.46 0.29 4.82 2.02 -0.46 -4.88 118.70 119.66 1ffu s GLU 548 Ca 0.17 -0.74 -0.03 0.00 0.02 0.00 0.00 54.97 54.39 1ffu s GLU 548 Cb -0.12 -0.12 -0.01 0.00 0.10 0.00 0.00 34.13 33.99 1ffu s GLU 548 CO 0.07 0.00 0.38 -1.21 0.02 0.00 0.00 175.26 174.53 1ffu s GLU 549 N -1.71 1.66 0.00 1.61 2.02 -1.26 -3.04 118.70 117.99 1ffu s GLU 549 Ca -0.11 -1.65 0.00 0.00 0.02 0.00 0.00 54.97 53.23 1ffu s GLU 549 Cb -0.09 0.40 0.00 0.00 0.10 0.00 0.00 34.13 34.54 1ffu s GLU 549 CO -0.01 -0.66 0.00 0.41 0.02 0.00 0.00 175.26 175.02 1ffu n GLY 550 N -0.47 2.90 3.38 -1.39 0.00 -1.23 -4.88 105.19 103.50 1ffu n GLY 550 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 1ffu n GLY 550 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ffu s ASP 551 N -1.91 6.14 0.51 1.61 -1.08 -1.26 -0.97 116.67 119.70 1ffu s ASP 551 Ca 0.00 -1.37 0.34 0.00 -0.52 0.00 0.00 52.55 51.00 1ffu s ASP 551 Cb 0.00 -2.18 1.83 0.00 -1.46 0.00 0.00 42.92 41.11 1ffu s ASP 551 CO 0.00 -0.66 2.03 0.71 0.52 0.00 0.00 175.17 177.77 1ffu h THR 552 N 5.77 0.00 0.00 1.71 1.35 -1.63 0.12 112.91 120.23 1ffu h THR 552 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1ffu h THR 552 Cb 1.11 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1ffu h THR 552 CO 0.89 0.00 -0.40 -0.24 -0.25 0.00 0.00 175.52 175.52 1ffu n SER 553 N -2.69 0.40 0.00 5.36 2.88 -1.26 -4.44 113.62 113.87 1ffu n SER 553 Ca -0.02 -0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1ffu n SER 553 Cb 0.06 0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 1ffu n SER 553 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ffu n THR 554 N -1.52 0.00 -2.81 2.46 -2.24 -0.43 -5.08 114.28 104.66 1ffu n THR 554 Ca 0.06 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.51 1ffu n THR 554 Cb 0.34 -0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 68.06 1ffu n THR 554 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ffu s ALA 555 N -1.76 3.09 0.56 6.98 0.00 0.27 -5.03 121.76 125.88 1ffu s ALA 555 Ca 0.00 0.31 -0.19 0.00 0.00 0.00 0.00 51.96 52.08 1ffu s ALA 555 Cb 0.00 -3.08 -0.05 0.00 0.00 0.00 0.00 23.12 19.99 1ffu s ALA 555 CO 0.00 0.11 1.13 -1.25 0.00 0.00 0.00 175.76 175.75 1ffu s PRO 556 N -3.28 3.25 0.29 0.00 0.04 -1.26 -4.79 135.00 129.24 1ffu s PRO 556 Ca 0.60 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.92 1ffu s PRO 556 Cb -0.09 -1.99 -0.11 0.00 0.04 0.00 0.00 34.50 32.34 1ffu s PRO 556 CO 0.16 -0.93 1.61 -0.47 0.04 0.00 0.00 177.00 177.41 1ffu s TYR 557 N -1.86 2.76 0.34 0.56 6.14 -1.26 -3.50 117.35 120.53 1ffu s TYR 557 Ca 0.72 0.74 -0.05 0.00 0.64 0.00 0.00 57.07 59.13 1ffu s TYR 557 Cb -0.24 -4.08 0.01 0.00 0.42 0.00 0.00 41.96 38.08 1ffu s TYR 557 CO 0.30 -3.66 0.52 0.20 0.64 0.00 0.00 175.55 173.54 1ffu s GLY 558 N 0.55 1.30 -0.00 8.97 0.00 -1.25 -3.87 107.32 113.01 1ffu s GLY 558 Ca 0.64 -1.39 0.19 0.00 0.00 0.00 0.00 44.72 44.17 1ffu s GLY 558 CO 0.47 -0.89 1.47 1.04 0.00 0.00 0.00 173.10 175.18 1ffu n LEU 559 N -0.55 3.71 0.00 0.66 7.99 -1.23 -4.44 117.00 123.14 1ffu n LEU 559 Ca -0.00 -2.02 0.00 0.00 -0.01 0.00 0.00 56.01 53.98 1ffu n LEU 559 Cb 0.61 -0.42 0.00 0.00 -0.11 0.00 0.00 43.42 43.50 1ffu n LEU 559 CO 0.29 0.91 0.00 0.61 -1.51 0.00 0.00 177.39 177.69 1ffu n GLY 560 N 1.32 -1.94 2.98 -0.72 0.00 -0.90 -4.69 105.19 101.23 1ffu n GLY 560 Ca 0.21 -1.39 -0.25 0.00 0.00 0.00 0.00 46.02 44.59 1ffu n GLY 560 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ffu s THR 561 N 0.00 1.06 -0.09 2.61 -4.23 -0.37 -4.66 115.64 109.96 1ffu s THR 561 Ca 0.00 -0.39 -0.32 0.00 -1.18 0.00 0.00 61.69 59.79 1ffu s THR 561 Cb 0.00 -1.01 0.12 0.00 1.34 0.00 0.00 72.50 72.96 1ffu s THR 561 CO 0.00 0.35 1.19 -0.72 -0.54 0.00 0.00 174.62 174.90 1ffu s TYR 562 N 1.00 -0.12 -1.71 3.99 -0.85 -1.26 -4.87 117.35 113.53 1ffu s TYR 562 Ca -0.08 0.03 0.00 0.00 -0.52 0.00 0.00 57.07 56.49 1ffu s TYR 562 Cb -0.15 0.54 0.00 0.00 0.38 0.00 0.00 41.96 42.73 1ffu s TYR 562 CO -0.00 -0.30 0.00 0.41 -1.52 0.00 0.00 175.55 174.14 1ffu n GLY 563 N -0.26 0.16 4.05 5.49 0.00 -1.26 -2.31 105.19 111.05 1ffu n GLY 563 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1ffu n GLY 563 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ffu n SER 564 N -1.72 -4.03 0.13 1.61 7.64 -1.26 -3.81 113.62 112.18 1ffu n SER 564 Ca -0.21 -0.87 0.12 0.00 1.01 0.00 0.00 58.87 58.91 1ffu n SER 564 Cb 0.65 -3.26 0.11 0.00 -1.01 0.00 0.00 64.21 60.70 1ffu n SER 564 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 1ffu h ARG 565 N -1.72 0.00 0.17 1.43 0.11 -1.82 -3.34 114.38 109.22 1ffu h ARG 565 Ca -0.58 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.51 1ffu h ARG 565 Cb 1.37 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.42 1ffu h ARG 565 CO 0.72 0.00 -0.41 0.77 0.10 0.00 0.00 179.97 181.15 1ffu h SER 566 N 0.00 -1.20 -0.38 0.08 0.02 -1.87 0.92 113.55 111.12 1ffu h SER 566 Ca 0.00 0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1ffu h SER 566 Cb 0.94 0.43 -0.02 0.00 0.14 0.00 0.00 62.40 63.89 1ffu h SER 566 CO 0.00 -0.46 0.24 0.74 -1.14 0.00 0.00 176.83 176.21 1ffu h THR 567 N -0.64 1.06 0.60 -2.27 2.02 -1.93 0.15 112.91 111.91 1ffu h THR 567 Ca -0.02 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 1ffu h THR 567 Cb 0.62 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1ffu h THR 567 CO -0.18 0.09 -0.31 -0.65 0.37 0.00 0.00 175.52 174.84 1ffu h PRO 568 N 0.48 -0.81 0.00 6.66 0.11 -1.73 -2.39 132.00 134.32 1ffu h PRO 568 Ca 0.15 0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.29 1ffu h PRO 568 Cb -0.02 0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.27 1ffu h PRO 568 CO -0.06 -0.54 -0.23 0.28 -0.21 0.00 0.00 178.00 177.25 1ffu h VAL 569 N -0.84 0.42 -0.47 3.15 2.07 -0.79 -3.25 116.25 116.54 1ffu h VAL 569 Ca -0.08 -1.36 -0.13 0.00 0.82 0.00 0.00 66.70 65.95 1ffu h VAL 569 Cb 0.65 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1ffu h VAL 569 CO 0.12 0.14 -0.22 0.00 0.02 0.00 0.00 177.57 177.63 1ffu h ALA 570 N -0.77 0.71 -0.88 1.67 0.00 -0.92 -2.47 119.26 116.61 1ffu h ALA 570 Ca -0.03 -0.39 0.16 0.00 0.00 0.00 0.00 54.91 54.64 1ffu h ALA 570 Cb 0.42 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1ffu h ALA 570 CO -0.02 0.67 0.57 0.78 0.00 0.00 0.00 179.25 181.25 1ffu h GLY 571 N 0.88 1.12 0.86 0.00 0.00 -0.51 0.26 103.07 105.69 1ffu h GLY 571 Ca 0.11 -0.27 -0.14 0.00 0.00 0.00 0.00 47.33 47.03 1ffu h GLY 571 CO 0.07 0.06 -0.47 0.00 0.00 0.00 0.00 176.54 176.20 1ffu h ALA 572 N 1.61 0.21 -0.62 3.60 0.00 -1.54 -2.63 119.26 119.89 1ffu h ALA 572 Ca 0.45 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1ffu h ALA 572 Cb 0.82 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1ffu h ALA 572 CO -0.20 0.36 0.25 0.00 0.00 0.00 0.00 179.25 179.67 1ffu h ALA 573 N 0.49 1.28 -0.04 0.00 0.00 -0.74 -0.30 119.26 119.94 1ffu h ALA 573 Ca -0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ffu h ALA 573 Cb 1.11 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1ffu h ALA 573 CO 0.10 0.54 0.02 0.82 0.00 0.00 0.00 179.25 180.72 1ffu h ILE 574 N 0.89 1.14 -0.36 0.00 2.04 -0.56 0.91 117.51 121.57 1ffu h ILE 574 Ca 0.21 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1ffu h ILE 574 Cb 0.16 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1ffu h ILE 574 CO -0.02 0.11 0.19 0.00 0.00 0.00 0.00 178.15 178.44 1ffu h ALA 575 N 0.85 0.47 -0.54 1.87 0.00 -1.21 -0.46 119.26 120.23 1ffu h ALA 575 Ca 0.01 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1ffu h ALA 575 Cb 0.17 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1ffu h ALA 575 CO -0.00 0.01 0.03 -0.07 0.00 0.00 0.00 179.25 179.21 1ffu h LEU 576 N 0.46 0.92 -0.74 0.00 3.38 -0.97 0.24 115.31 118.60 1ffu h LEU 576 Ca 0.13 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 1ffu h LEU 576 Cb 0.08 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1ffu h LEU 576 CO -0.02 0.99 0.04 0.00 0.09 0.00 0.00 178.44 179.53 1ffu h ALA 577 N 0.96 0.95 -0.45 1.53 0.00 -0.70 -1.40 119.26 120.15 1ffu h ALA 577 Ca 0.16 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1ffu h ALA 577 Cb 0.50 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1ffu h ALA 577 CO 0.02 0.64 0.13 0.00 0.00 0.00 0.00 179.25 180.05 1ffu h ALA 578 N 1.10 0.58 0.00 0.00 0.00 -0.72 -2.50 119.26 117.73 1ffu h ALA 578 Ca 0.17 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ffu h ALA 578 Cb 0.49 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ffu h ALA 578 CO 0.02 0.24 -0.10 0.00 0.00 0.00 0.00 179.25 179.41 1ffu h ARG 579 N 0.58 0.00 -0.30 0.00 3.08 -0.18 -0.10 114.38 117.47 1ffu h ARG 579 Ca 0.14 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.02 1ffu h ARG 579 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1ffu h ARG 579 CO -0.00 0.10 -0.51 0.87 -1.07 0.00 0.00 179.97 179.36 1ffu h LYS 580 N 0.00 0.84 -0.50 0.04 1.57 -0.82 -2.04 116.57 115.65 1ffu h LYS 580 Ca -0.00 -0.50 -0.12 0.00 -1.87 0.00 0.00 60.65 58.15 1ffu h LYS 580 Cb 0.33 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1ffu h LYS 580 CO 0.01 1.14 -0.16 0.82 -0.57 0.00 0.00 179.45 180.69 1ffu h ILE 581 N 0.65 1.27 -0.44 1.86 2.04 -1.05 -2.67 117.51 119.16 1ffu h ILE 581 Ca 0.03 -1.33 -0.06 0.00 1.00 0.00 0.00 64.86 64.50 1ffu h ILE 581 Cb 1.10 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 1ffu h ILE 581 CO 0.11 0.46 0.03 -0.74 0.00 0.00 0.00 178.15 178.01 1ffu h HIS 582 N 0.86 0.73 -0.46 1.37 2.76 -0.98 0.26 115.15 119.70 1ffu h HIS 582 Ca 0.12 -0.08 -0.12 0.00 -2.20 0.00 0.00 60.37 58.09 1ffu h HIS 582 Cb 0.74 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.48 1ffu h HIS 582 CO 0.05 0.68 -0.19 0.00 -1.30 0.00 0.00 177.93 177.17 1ffu h ALA 583 N 1.36 0.64 -0.40 5.26 0.00 -1.22 -1.00 119.26 123.91 1ffu h ALA 583 Ca 0.14 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 1ffu h ALA 583 Cb 0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1ffu h ALA 583 CO 0.01 0.61 -0.35 -0.22 0.00 0.00 0.00 179.25 179.30 1ffu h LYS 584 N 0.78 0.94 -0.51 0.00 3.64 -1.24 -2.50 116.57 117.69 1ffu h LYS 584 Ca 0.11 -0.47 -0.01 0.00 -1.27 0.00 0.00 60.65 59.00 1ffu h LYS 584 Cb 0.76 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1ffu h LYS 584 CO 0.06 1.13 0.26 0.00 -2.27 0.00 0.00 179.45 178.64 1ffu h ALA 585 N 0.81 1.52 -0.38 5.00 0.00 -0.73 0.38 119.26 125.86 1ffu h ALA 585 Ca 0.07 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1ffu h ALA 585 Cb 0.94 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1ffu h ALA 585 CO 0.09 0.40 0.01 -0.09 0.00 0.00 0.00 179.25 179.65 1ffu h ARG 586 N 0.70 0.66 -0.89 0.00 2.43 -1.00 0.21 114.38 116.49 1ffu h ARG 586 Ca 0.18 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1ffu h ARG 586 Cb 0.04 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 1ffu h ARG 586 CO -0.03 0.76 0.56 -0.22 -1.51 0.00 0.00 179.97 179.53 1ffu h LYS 587 N 0.48 1.19 -0.20 0.20 3.64 -0.88 0.09 116.57 121.09 1ffu h LYS 587 Ca 0.11 -0.09 -0.14 0.00 -1.27 0.00 0.00 60.65 59.25 1ffu h LYS 587 Cb 0.45 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1ffu h LYS 587 CO 0.02 0.81 -0.44 0.82 -2.27 0.00 0.00 179.45 178.40 1ffu h ILE 588 N 1.22 1.32 -0.52 2.00 2.04 -0.69 -2.95 117.51 119.93 1ffu h ILE 588 Ca 0.32 -1.66 -0.01 0.00 1.00 0.00 0.00 64.86 64.51 1ffu h ILE 588 Cb -0.09 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 1ffu h ILE 588 CO -0.07 0.52 0.29 0.00 0.00 0.00 0.00 178.15 178.90 1ffu h ALA 589 N 0.60 1.54 -0.59 1.87 0.00 -0.10 -1.71 119.26 120.87 1ffu h ALA 589 Ca 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1ffu h ALA 589 Cb 1.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1ffu h ALA 589 CO 0.10 0.39 0.16 0.00 0.00 0.00 0.00 179.25 179.90 1ffu h ALA 590 N 1.61 0.77 -0.35 0.00 0.00 -0.91 -0.76 119.26 119.62 1ffu h ALA 590 Ca 0.19 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1ffu h ALA 590 Cb 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1ffu h ALA 590 CO -0.03 0.45 0.09 1.25 0.00 0.00 0.00 179.25 181.01 1ffu h HIS 591 N 0.84 0.59 -0.38 0.00 6.17 -1.24 -0.87 115.15 120.25 1ffu h HIS 591 Ca 0.19 -0.07 -0.02 0.00 0.71 0.00 0.00 60.37 61.18 1ffu h HIS 591 Cb 0.31 -0.17 -0.02 0.00 2.52 0.00 0.00 27.41 30.06 1ffu h HIS 591 CO 0.02 0.59 0.16 0.52 0.71 0.00 0.00 177.93 179.93 1ffu h MET 592 N 0.42 0.57 -0.03 5.26 2.86 -1.17 -2.83 114.93 120.00 1ffu h MET 592 Ca 0.11 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1ffu h MET 592 Cb 0.29 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1ffu h MET 592 CO 0.00 0.54 0.00 1.28 1.06 0.00 0.00 176.91 179.79 1ffu n LEU 593 N -4.67 0.64 -3.40 1.22 4.77 -0.31 -4.93 117.00 110.33 1ffu n LEU 593 Ca -0.00 -0.24 -0.25 0.00 -0.03 0.00 0.00 56.01 55.49 1ffu n LEU 593 Cb 0.14 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1ffu n LEU 593 CO 0.37 0.12 0.01 -0.62 -1.33 0.00 0.00 177.39 175.94 1ffu n GLU 594 N -0.44 -4.37 -4.53 3.23 1.02 -0.41 -4.98 120.64 110.16 1ffu n GLU 594 Ca 0.19 0.63 -0.26 0.00 -0.02 0.00 0.00 57.16 57.70 1ffu n GLU 594 Cb 0.19 -5.43 -0.08 0.00 -0.02 0.00 0.00 31.44 26.10 1ffu n GLU 594 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1ffu s VAL 595 N -3.09 0.75 0.32 2.62 -7.23 -0.73 -5.04 120.40 108.01 1ffu s VAL 595 Ca 0.44 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.54 1ffu s VAL 595 Cb -0.22 -2.41 -0.06 0.00 0.56 0.00 0.00 36.38 34.26 1ffu s VAL 595 CO 0.54 0.00 0.62 0.20 -0.31 0.00 0.00 175.10 176.15 1ffu s ASN 596 N -3.61 6.48 0.19 4.85 -0.87 -1.26 -4.44 114.94 116.27 1ffu s ASN 596 Ca 0.24 0.85 -0.13 0.00 -1.57 0.00 0.00 52.86 52.25 1ffu s ASN 596 Cb 0.03 -2.20 0.20 0.00 -0.02 0.00 0.00 41.25 39.26 1ffu s ASN 596 CO 0.14 -0.25 1.71 -0.33 -2.57 0.00 0.00 177.10 175.80 1ffu h GLU 597 N 1.60 0.21 0.00 -0.60 5.08 -1.92 -1.32 114.58 117.63 1ffu h GLU 597 Ca -0.47 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1ffu h GLU 597 Cb 1.19 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1ffu h GLU 597 CO 0.66 0.14 0.04 0.27 -1.00 0.00 0.00 179.01 179.12 1ffu n ASN 598 N -5.13 0.48 -1.06 1.42 0.23 -1.26 -0.60 115.26 109.33 1ffu n ASN 598 Ca 0.06 0.71 0.07 0.00 -0.53 0.00 0.00 54.58 54.89 1ffu n ASN 598 Cb 0.25 -0.76 0.24 0.00 -2.08 0.00 0.00 39.78 37.43 1ffu n ASN 598 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1ffu n ASP 599 N -2.16 3.09 -4.57 0.53 8.00 -0.50 -4.92 116.55 116.01 1ffu n ASP 599 Ca -0.01 -2.16 -0.29 0.00 0.71 0.00 0.00 54.79 53.04 1ffu n ASP 599 Cb 0.07 -0.41 -0.10 0.00 -0.02 0.00 0.00 41.12 40.67 1ffu n ASP 599 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ffu s LEU 600 N -1.22 3.01 -0.07 0.64 1.43 0.23 -1.24 118.68 121.46 1ffu s LEU 600 Ca 0.35 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 1ffu s LEU 600 Cb 0.20 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.66 1ffu s LEU 600 CO 0.20 0.15 -0.12 -1.81 0.23 0.00 0.00 176.35 175.00 1ffu s ASP 601 N -2.42 1.85 -0.15 2.29 1.01 0.93 -4.87 116.67 115.31 1ffu s ASP 601 Ca 0.22 -0.31 -0.23 0.00 0.71 0.00 0.00 52.55 52.95 1ffu s ASP 601 Cb -0.10 -0.85 -0.03 0.00 1.01 0.00 0.00 42.92 42.95 1ffu s ASP 601 CO 0.14 0.02 0.69 0.86 0.21 0.00 0.00 175.17 177.10 1ffu s TRP 602 N 0.74 3.45 -0.48 4.23 -0.11 -1.26 -0.34 118.94 125.18 1ffu s TRP 602 Ca -0.13 1.10 0.03 0.00 1.22 0.00 0.00 56.10 58.32 1ffu s TRP 602 Cb -0.16 -2.84 0.15 0.00 -1.50 0.00 0.00 33.47 29.12 1ffu s TRP 602 CO 0.03 -0.10 0.31 -2.00 -4.62 0.00 0.00 176.95 170.57 1ffu s GLU 603 N 1.60 1.36 0.00 5.86 2.12 -0.32 -4.99 118.70 124.33 1ffu s GLU 603 Ca 0.33 -2.23 0.00 0.00 0.36 0.00 0.00 54.97 53.43 1ffu s GLU 603 Cb -0.16 -2.23 0.00 0.00 0.26 0.00 0.00 34.13 32.00 1ffu s GLU 603 CO 0.13 -1.25 0.00 0.28 -0.54 0.00 0.00 175.26 173.88 1ffu n VAL 604 N 3.11 0.00 -2.10 3.70 0.31 -1.26 -3.46 118.33 118.63 1ffu n VAL 604 Ca 0.16 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.50 1ffu n VAL 604 Cb 0.38 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.31 1ffu n VAL 604 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1ffu n ASP 605 N 2.40 0.17 -3.50 4.52 5.75 -1.26 -3.65 116.55 120.98 1ffu n ASP 605 Ca 0.00 -1.90 -0.13 0.00 -0.01 0.00 0.00 54.79 52.76 1ffu n ASP 605 Cb 0.00 -0.18 -0.04 0.00 -1.03 0.00 0.00 41.12 39.87 1ffu n ASP 605 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ffu s ARG 606 N 0.00 1.16 -0.24 0.11 1.70 -1.22 -2.83 118.95 117.63 1ffu s ARG 606 Ca 0.07 -0.38 -0.08 0.00 -0.47 0.00 0.00 55.73 54.87 1ffu s ARG 606 Cb 0.08 0.53 -0.04 0.00 -0.57 0.00 0.00 34.95 34.95 1ffu s ARG 606 CO -0.03 -0.47 0.09 -0.06 -1.08 0.00 0.00 175.30 173.75 1ffu s PHE 607 N -3.18 3.14 0.06 5.89 0.08 -0.84 -1.17 117.98 121.96 1ffu s PHE 607 Ca -0.01 -0.21 0.09 0.00 0.12 0.00 0.00 56.93 56.92 1ffu s PHE 607 Cb -0.00 -2.22 -0.03 0.00 -0.57 0.00 0.00 43.02 40.20 1ffu s PHE 607 CO -0.08 -0.20 -0.25 -1.59 -0.10 0.00 0.00 175.22 173.00 1ffu s LYS 608 N 1.32 1.63 0.12 0.44 -2.85 0.54 -1.48 119.74 119.46 1ffu s LYS 608 Ca 0.05 -1.12 -0.31 0.00 -1.00 0.00 0.00 55.97 53.60 1ffu s LYS 608 Cb -0.15 -1.85 -0.07 0.00 -2.06 0.00 0.00 37.83 33.70 1ffu s LYS 608 CO 0.04 0.47 1.28 0.08 0.10 0.00 0.00 175.35 177.32 1ffu s VAL 609 N -0.86 3.60 -0.06 1.79 1.01 -0.98 -0.05 120.40 124.86 1ffu s VAL 609 Ca 0.11 1.20 -0.33 0.00 0.00 0.00 0.00 61.98 62.96 1ffu s VAL 609 Cb -0.10 -3.77 -0.11 0.00 0.00 0.00 0.00 36.38 32.40 1ffu s VAL 609 CO 0.03 0.12 1.91 0.29 0.00 0.00 0.00 175.10 177.45 1ffu n LYS 610 N 3.51 2.38 0.00 2.72 5.02 -0.37 -2.80 118.16 128.62 1ffu n LYS 610 Ca 0.09 0.87 0.00 0.00 -2.02 0.00 0.00 58.31 57.25 1ffu n LYS 610 Cb 0.44 -2.75 0.00 0.00 -0.02 0.00 0.00 35.03 32.70 1ffu n LYS 610 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ffu n GLY 611 N 4.47 2.40 3.46 0.72 0.00 -1.26 -4.97 105.19 110.00 1ffu n GLY 611 Ca 0.22 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 1ffu n GLY 611 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ffu s ASP 612 N 0.00 6.23 0.27 1.61 -1.08 -1.12 -4.92 116.67 117.66 1ffu s ASP 612 Ca 0.00 -0.83 0.08 0.00 -0.52 0.00 0.00 52.55 51.28 1ffu s ASP 612 Cb 0.00 -2.38 0.35 0.00 -1.46 0.00 0.00 42.92 39.43 1ffu s ASP 612 CO 0.00 -1.22 1.62 0.44 0.52 0.00 0.00 175.17 176.52 1ffu h ASP 613 N 9.32 0.11 0.19 -0.34 5.19 -1.94 -3.20 116.42 125.76 1ffu h ASP 613 Ca -0.28 -0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.06 1ffu h ASP 613 Cb 1.08 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.55 1ffu h ASP 613 CO 1.10 0.67 -0.07 0.77 -3.12 0.00 0.00 179.24 178.59 1ffu h SER 614 N 0.07 0.00 -3.48 6.45 4.64 -1.93 -3.39 113.55 115.91 1ffu h SER 614 Ca -0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.64 1ffu h SER 614 Cb 1.05 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.97 1ffu h SER 614 CO 0.08 0.07 0.00 -0.54 -0.87 0.00 0.00 176.83 175.57 1ffu s LYS 615 N -4.41 3.18 0.25 4.77 1.02 -1.21 -5.02 119.74 118.32 1ffu s LYS 615 Ca -0.04 -0.63 -0.19 0.00 0.02 0.00 0.00 55.97 55.13 1ffu s LYS 615 Cb 0.14 -4.00 0.02 0.00 -0.52 0.00 0.00 37.83 33.48 1ffu s LYS 615 CO 0.57 -1.02 0.62 -0.59 -0.92 0.00 0.00 175.35 174.01 1ffu s PHE 616 N 2.56 -0.09 -0.11 3.18 -0.12 -1.26 -2.31 117.98 119.83 1ffu s PHE 616 Ca 0.17 -0.30 -0.03 0.00 -0.05 0.00 0.00 56.93 56.71 1ffu s PHE 616 Cb -0.16 0.52 0.05 0.00 -0.63 0.00 0.00 43.02 42.80 1ffu s PHE 616 CO 0.15 -1.09 0.14 0.15 -0.05 0.00 0.00 175.22 174.53 1ffu s LYS 617 N -3.92 0.04 0.99 1.99 -0.14 -0.55 -4.99 119.74 113.17 1ffu s LYS 617 Ca 0.12 0.40 -0.13 0.00 -1.36 0.00 0.00 55.97 55.00 1ffu s LYS 617 Cb -0.03 -0.65 0.18 0.00 -1.68 0.00 0.00 37.83 35.65 1ffu s LYS 617 CO 0.04 -0.41 1.12 0.95 -0.76 0.00 0.00 175.35 176.28 1ffu s THR 618 N 2.26 1.97 0.37 2.17 -4.23 -1.26 -1.98 115.64 114.94 1ffu s THR 618 Ca 0.04 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 60.70 1ffu s THR 618 Cb -0.13 -2.60 0.13 0.00 1.34 0.00 0.00 72.50 71.24 1ffu s THR 618 CO -0.07 0.00 1.86 -0.03 -0.54 0.00 0.00 174.62 175.85 1ffu h MET 619 N -1.81 0.00 -0.21 3.99 4.05 -1.84 -0.78 114.93 118.33 1ffu h MET 619 Ca -0.52 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 58.85 1ffu h MET 619 Cb 1.33 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.12 1ffu h MET 619 CO 0.57 0.32 -0.03 0.00 0.23 0.00 0.00 176.91 178.00 1ffu h ALA 620 N 1.68 0.28 -0.61 0.39 0.00 -1.90 0.57 119.26 119.67 1ffu h ALA 620 Ca -0.00 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1ffu h ALA 620 Cb 0.61 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1ffu h ALA 620 CO 0.04 0.04 0.39 -0.44 0.00 0.00 0.00 179.25 179.29 1ffu h ASP 621 N 0.12 0.66 -0.49 0.00 3.32 -1.75 -2.06 116.42 116.21 1ffu h ASP 621 Ca 0.05 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 1ffu h ASP 621 Cb 0.47 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1ffu h ASP 621 CO 0.02 0.47 -0.03 0.40 -1.72 0.00 0.00 179.24 178.38 1ffu h ILE 622 N 0.79 1.27 0.00 0.35 2.04 -1.02 -2.48 117.51 118.45 1ffu h ILE 622 Ca 0.23 -1.13 0.01 0.00 1.00 0.00 0.00 64.86 64.97 1ffu h ILE 622 Cb -0.05 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1ffu h ILE 622 CO -0.07 0.40 -0.06 0.00 0.00 0.00 0.00 178.15 178.42 1ffu h ALA 623 N 0.92 -0.06 -0.27 1.87 0.00 -0.61 -1.74 119.26 119.38 1ffu h ALA 623 Ca 0.14 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1ffu h ALA 623 Cb 0.56 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1ffu h ALA 623 CO 0.03 -0.55 0.03 2.35 0.00 0.00 0.00 179.25 181.11 1ffu h TRP 624 N -0.10 0.05 -0.74 0.00 2.91 -1.32 -1.80 115.95 114.95 1ffu h TRP 624 Ca 0.02 0.02 0.10 0.00 1.13 0.00 0.00 58.89 60.16 1ffu h TRP 624 Cb 0.13 0.02 -0.05 0.00 -0.51 0.00 0.00 29.16 28.75 1ffu h TRP 624 CO -0.13 -0.01 0.48 0.37 -1.03 0.00 0.00 178.44 178.13 1ffu h GLN 625 N 0.12 0.61 0.00 2.65 5.75 -1.18 0.57 115.11 123.63 1ffu h GLN 625 Ca 0.12 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.56 1ffu h GLN 625 Cb 0.14 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 28.55 1ffu h GLN 625 CO -0.18 0.40 -0.15 0.00 -2.65 0.00 0.00 178.83 176.25 1ffu h ALA 626 N 1.63 1.72 0.00 3.38 0.00 -0.42 -2.17 119.26 123.39 1ffu h ALA 626 Ca 0.34 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1ffu h ALA 626 Cb 0.48 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1ffu h ALA 626 CO -0.12 0.19 -1.86 0.66 0.00 0.00 0.00 179.25 178.11 1ffu n TYR 627 N -4.32 0.31 0.03 0.00 4.01 -0.42 -0.79 117.16 115.99 1ffu n TYR 627 Ca -0.03 0.10 -0.02 0.00 -0.16 0.00 0.00 57.90 57.80 1ffu n TYR 627 Cb 0.22 -0.79 -0.01 0.00 -0.31 0.00 0.00 39.34 38.45 1ffu n TYR 627 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1ffu h HIS 628 N 0.00 -0.10 -1.62 -0.72 2.76 -0.69 -3.47 115.15 111.32 1ffu h HIS 628 Ca -0.17 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 57.92 1ffu h HIS 628 Cb 1.42 0.03 -0.27 0.00 1.55 0.00 0.00 27.41 30.14 1ffu h HIS 628 CO 0.00 -0.06 -0.42 -1.14 -1.30 0.00 0.00 177.93 175.01 1ffu s GLN 629 N -1.92 0.42 0.28 5.26 0.74 -0.84 -5.09 119.66 118.51 1ffu s GLN 629 Ca -0.01 0.64 -0.29 0.00 0.05 0.00 0.00 55.36 55.75 1ffu s GLN 629 Cb 0.00 -0.17 -0.10 0.00 1.10 0.00 0.00 33.01 33.84 1ffu s GLN 629 CO 0.04 -0.66 1.31 -1.25 -0.55 0.00 0.00 175.29 174.18 1ffu s PRO 630 N 2.64 4.37 0.51 1.67 0.04 -1.25 -4.72 135.00 138.25 1ffu s PRO 630 Ca 0.15 2.16 -0.23 0.00 0.04 0.00 0.00 61.00 63.12 1ffu s PRO 630 Cb -0.15 -3.12 -0.06 0.00 0.04 0.00 0.00 34.50 31.21 1ffu s PRO 630 CO -0.18 -0.21 1.35 -2.30 0.04 0.00 0.00 177.00 175.69 1ffu n PRO 631 N 1.51 1.83 -1.53 0.56 -0.02 -1.26 -4.84 135.00 131.26 1ffu n PRO 631 Ca 0.02 0.67 -0.50 0.00 -2.02 0.00 0.00 63.50 61.67 1ffu n PRO 631 Cb 0.42 -2.54 -0.04 0.00 -0.02 0.00 0.00 33.50 31.31 1ffu n PRO 631 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ffu n ALA 632 N -0.74 -1.63 0.00 3.55 0.00 -1.26 -1.48 120.51 118.95 1ffu n ALA 632 Ca 0.09 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1ffu n ALA 632 Cb 0.43 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1ffu n ALA 632 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ffu n GLY 633 N 1.89 3.26 3.83 0.00 0.00 -1.26 -5.04 105.19 107.86 1ffu n GLY 633 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1ffu n GLY 633 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ffu s LEU 634 N 0.00 4.04 0.37 0.99 1.43 -0.55 -5.11 118.68 119.85 1ffu s LEU 634 Ca 0.00 0.14 -0.14 0.00 -1.03 0.00 0.00 54.13 53.10 1ffu s LEU 634 Cb 0.00 -2.57 -0.08 0.00 0.03 0.00 0.00 46.19 43.57 1ffu s LEU 634 CO 0.00 0.21 0.78 -1.61 0.23 0.00 0.00 176.35 175.96 1ffu s GLU 635 N -2.20 3.96 1.07 1.70 2.02 -1.26 -4.66 118.70 119.32 1ffu s GLU 635 Ca 0.29 0.68 -0.12 0.00 0.02 0.00 0.00 54.97 55.83 1ffu s GLU 635 Cb -0.12 -2.37 0.23 0.00 0.10 0.00 0.00 34.13 31.97 1ffu s GLU 635 CO 0.21 0.05 1.06 -2.14 0.02 0.00 0.00 175.26 174.46 1ffu s PRO 636 N -3.33 -0.22 0.00 0.39 0.02 -1.26 -4.89 135.00 125.71 1ffu s PRO 636 Ca 0.54 0.95 0.00 0.00 0.02 0.00 0.00 61.00 62.51 1ffu s PRO 636 Cb -0.10 -1.63 0.00 0.00 0.02 0.00 0.00 34.50 32.79 1ffu s PRO 636 CO 0.22 -3.28 0.00 0.41 -0.33 0.00 0.00 177.00 174.02 1ffu n GLY 637 N 0.31 0.13 2.77 0.52 0.00 0.03 -4.97 105.19 103.97 1ffu n GLY 637 Ca 0.05 -1.78 -0.16 0.00 0.00 0.00 0.00 46.02 44.13 1ffu n GLY 637 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ffu s LEU 638 N -1.85 -0.13 0.15 0.99 0.20 -1.26 -4.84 118.68 111.94 1ffu s LEU 638 Ca 0.00 -1.67 -0.19 0.00 0.69 0.00 0.00 54.13 52.97 1ffu s LEU 638 Cb 0.00 0.66 0.05 0.00 -0.43 0.00 0.00 46.19 46.47 1ffu s LEU 638 CO 0.00 -0.23 0.50 -1.83 -0.29 0.00 0.00 176.35 174.50 1ffu s GLU 639 N 1.30 1.21 0.10 1.98 -1.05 -1.26 -0.91 118.70 120.07 1ffu s GLU 639 Ca 0.19 -0.65 -0.15 0.00 -0.15 0.00 0.00 54.97 54.21 1ffu s GLU 639 Cb -0.12 0.52 0.03 0.00 -0.44 0.00 0.00 34.13 34.12 1ffu s GLU 639 CO -0.04 -0.50 0.36 0.00 0.95 0.00 0.00 175.26 176.03 1ffu s ALA 640 N -3.80 -0.80 0.04 -0.84 0.00 -0.22 -4.84 121.76 111.30 1ffu s ALA 640 Ca 0.03 -0.09 0.05 0.00 0.00 0.00 0.00 51.96 51.95 1ffu s ALA 640 Cb 0.00 0.58 -0.02 0.00 0.00 0.00 0.00 23.12 23.68 1ffu s ALA 640 CO -0.10 -0.58 -0.13 0.08 0.00 0.00 0.00 175.76 175.02 1ffu s VAL 641 N -3.53 1.06 -0.20 0.00 1.01 -1.26 -1.15 120.40 116.32 1ffu s VAL 641 Ca 0.02 -1.00 -0.10 0.00 0.00 0.00 0.00 61.98 60.89 1ffu s VAL 641 Cb 0.02 -0.97 0.07 0.00 0.00 0.00 0.00 36.38 35.50 1ffu s VAL 641 CO -0.10 -0.03 0.48 -2.28 0.00 0.00 0.00 175.10 173.17 1ffu s HIS 642 N -0.89 -0.76 -0.28 5.22 2.46 -0.62 -4.83 115.29 115.60 1ffu s HIS 642 Ca 0.01 1.54 -0.05 0.00 0.47 0.00 0.00 55.06 57.02 1ffu s HIS 642 Cb -0.08 0.37 0.01 0.00 -0.13 0.00 0.00 32.58 32.75 1ffu s HIS 642 CO 0.01 -0.41 0.04 0.71 -2.47 0.00 0.00 174.74 172.61 1ffu s TYR 643 N 1.68 3.12 -0.33 3.88 1.51 -1.26 -1.62 117.35 124.33 1ffu s TYR 643 Ca -0.08 -1.13 -0.13 0.00 -1.01 0.00 0.00 57.07 54.71 1ffu s TYR 643 Cb -0.08 -2.19 -0.02 0.00 -0.11 0.00 0.00 41.96 39.55 1ffu s TYR 643 CO -0.15 -0.61 0.25 -0.47 -1.11 0.00 0.00 175.55 173.46 1ffu s TYR 644 N 1.45 3.23 -0.53 2.71 5.04 0.81 -4.92 117.35 125.14 1ffu s TYR 644 Ca 0.02 -0.14 -0.16 0.00 -2.44 0.00 0.00 57.07 54.35 1ffu s TYR 644 Cb -0.17 -2.50 0.11 0.00 0.35 0.00 0.00 41.96 39.76 1ffu s TYR 644 CO 0.00 -0.35 0.50 0.34 -1.34 0.00 0.00 175.55 174.71 1ffu s ASP 645 N 1.73 6.18 0.34 4.32 2.15 -1.26 -2.68 116.67 127.45 1ffu s ASP 645 Ca 0.07 -1.60 -0.29 0.00 0.43 0.00 0.00 52.55 51.16 1ffu s ASP 645 Cb -0.17 -2.22 -0.11 0.00 -0.30 0.00 0.00 42.92 40.12 1ffu s ASP 645 CO 0.11 -0.83 1.52 -2.16 -0.17 0.00 0.00 175.17 173.64 1ffu s PRO 646 N 1.75 4.12 0.47 4.34 0.04 -1.26 -4.93 135.00 139.54 1ffu s PRO 646 Ca 0.05 2.57 0.27 0.00 0.04 0.00 0.00 61.00 63.92 1ffu s PRO 646 Cb -0.28 -2.99 0.79 0.00 0.04 0.00 0.00 34.50 32.06 1ffu s PRO 646 CO 0.05 -0.57 1.77 -1.00 0.04 0.00 0.00 177.00 177.29 1ffu h PRO 647 N 3.73 0.00 -2.24 0.56 0.13 -1.96 -3.22 132.00 129.00 1ffu h PRO 647 Ca -0.49 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 64.83 1ffu h PRO 647 Cb 1.23 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.28 1ffu h PRO 647 CO 0.70 0.07 0.54 1.21 -0.23 0.00 0.00 178.00 180.28 1ffu s ASN 648 N -6.03 -0.14 0.97 1.44 2.47 -1.26 -4.93 114.94 107.45 1ffu s ASN 648 Ca 0.04 -0.40 -0.15 0.00 0.42 0.00 0.00 52.86 52.77 1ffu s ASN 648 Cb 0.07 0.45 0.21 0.00 -1.45 0.00 0.00 41.25 40.53 1ffu s ASN 648 CO 0.62 -0.83 1.32 -0.36 -3.72 0.00 0.00 177.10 174.13 1ffu s PHE 649 N -3.07 1.37 -0.01 0.43 0.40 -1.26 -4.85 117.98 110.99 1ffu s PHE 649 Ca 0.13 0.19 0.05 0.00 -0.60 0.00 0.00 56.93 56.70 1ffu s PHE 649 Cb -0.01 -4.12 -0.03 0.00 0.51 0.00 0.00 43.02 39.38 1ffu s PHE 649 CO 0.02 -2.71 -0.15 0.99 0.70 0.00 0.00 175.22 174.07 1ffu s THR 650 N -3.88 3.04 -0.63 0.64 2.01 -0.21 -4.74 115.64 111.87 1ffu s THR 650 Ca 0.75 -0.91 0.06 0.00 0.31 0.00 0.00 61.69 61.89 1ffu s THR 650 Cb -0.03 -2.25 0.21 0.00 0.01 0.00 0.00 72.50 70.44 1ffu s THR 650 CO 0.53 0.46 0.59 -1.22 -0.69 0.00 0.00 174.62 174.29 1ffu n TYR 651 N 1.89 2.77 -2.07 4.92 4.02 -1.26 -1.16 117.16 126.27 1ffu n TYR 651 Ca -0.16 -4.11 -0.33 0.00 -0.01 0.00 0.00 57.90 53.29 1ffu n TYR 651 Cb 0.52 -0.50 0.01 0.00 -0.02 0.00 0.00 39.34 39.36 1ffu n TYR 651 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1ffu s PRO 652 N -1.73 3.24 0.33 -0.72 0.04 -1.25 -4.66 135.00 130.24 1ffu s PRO 652 Ca 0.32 1.36 0.04 0.00 0.04 0.00 0.00 61.00 62.76 1ffu s PRO 652 Cb 0.06 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 32.53 1ffu s PRO 652 CO -0.10 -0.90 0.06 -0.59 0.04 0.00 0.00 177.00 175.51 1ffu s PHE 653 N -2.22 1.95 0.15 0.56 -0.12 -0.80 -0.02 117.98 117.49 1ffu s PHE 653 Ca 0.67 -0.98 -0.18 0.00 -0.05 0.00 0.00 56.93 56.39 1ffu s PHE 653 Cb -0.19 -1.28 0.04 0.00 -0.63 0.00 0.00 43.02 40.96 1ffu s PHE 653 CO 0.34 -0.01 0.47 0.20 -0.05 0.00 0.00 175.22 176.17 1ffu s GLY 654 N -3.50 -0.30 -0.20 1.99 0.00 0.17 -0.91 107.32 104.57 1ffu s GLY 654 Ca 0.35 0.02 -0.04 0.00 0.00 0.00 0.00 44.72 45.05 1ffu s GLY 654 CO 0.15 -0.20 0.13 -0.42 0.00 0.00 0.00 173.10 172.76 1ffu s ILE 655 N -3.81 -0.14 -0.05 0.90 1.01 -0.25 -0.79 121.20 118.08 1ffu s ILE 655 Ca 0.04 -0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.44 1ffu s ILE 655 Cb 0.01 -0.69 -0.03 0.00 0.01 0.00 0.00 42.46 41.76 1ffu s ILE 655 CO -0.10 -0.37 -0.15 -0.31 0.00 0.00 0.00 174.94 174.01 1ffu s TYR 656 N 2.17 2.68 -0.01 3.97 2.02 0.45 -1.68 117.35 126.94 1ffu s TYR 656 Ca 0.05 -0.17 0.03 0.00 -0.37 0.00 0.00 57.07 56.60 1ffu s TYR 656 Cb -0.16 -1.62 -0.00 0.00 -0.40 0.00 0.00 41.96 39.78 1ffu s TYR 656 CO -0.16 0.18 -0.10 -1.17 -1.57 0.00 0.00 175.55 172.72 1ffu s LEU 657 N -0.74 1.96 -0.01 -1.29 0.20 -0.23 -0.96 118.68 117.61 1ffu s LEU 657 Ca 0.11 -0.19 0.01 0.00 0.69 0.00 0.00 54.13 54.75 1ffu s LEU 657 Cb -0.11 -0.55 0.01 0.00 -0.43 0.00 0.00 46.19 45.11 1ffu s LEU 657 CO 0.00 0.11 -0.03 0.00 -0.29 0.00 0.00 176.35 176.15 1ffu s VAL 659 N 0.30 2.91 0.16 0.00 1.01 0.36 -0.79 120.40 124.36 1ffu s VAL 659 Ca -0.03 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.32 1ffu s VAL 659 Cb -0.06 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1ffu s VAL 659 CO -0.01 0.53 -0.18 0.68 0.00 0.00 0.00 175.10 176.12 1ffu s VAL 660 N 0.40 1.76 -0.14 2.92 -7.23 -0.19 -0.39 120.40 117.54 1ffu s VAL 660 Ca -0.11 -1.88 -0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1ffu s VAL 660 Cb -0.16 -1.80 0.03 0.00 0.56 0.00 0.00 36.38 35.01 1ffu s VAL 660 CO 0.05 -0.32 -0.06 -1.81 -0.31 0.00 0.00 175.10 172.65 1ffu s ASP 661 N -2.62 2.53 -0.22 4.85 1.01 -0.19 -1.22 116.67 120.81 1ffu s ASP 661 Ca 0.15 -0.50 -0.11 0.00 0.71 0.00 0.00 52.55 52.80 1ffu s ASP 661 Cb -0.06 -0.88 -0.05 0.00 1.01 0.00 0.00 42.92 42.94 1ffu s ASP 661 CO 0.06 -0.15 0.18 -0.63 0.21 0.00 0.00 175.17 174.84 1ffu s ILE 662 N 1.67 5.35 -0.34 0.77 1.01 -0.06 -1.16 121.20 128.43 1ffu s ILE 662 Ca 0.03 0.25 -0.29 0.00 0.00 0.00 0.00 60.65 60.64 1ffu s ILE 662 Cb -0.14 -3.52 0.01 0.00 0.01 0.00 0.00 42.46 38.81 1ffu s ILE 662 CO -0.08 0.36 1.32 -0.62 0.00 0.00 0.00 174.94 175.93 1ffu s ASP 663 N 0.85 6.57 0.58 3.58 -1.08 0.55 -1.23 116.67 126.48 1ffu s ASP 663 Ca 0.09 1.05 0.35 0.00 -0.52 0.00 0.00 52.55 53.52 1ffu s ASP 663 Cb -0.13 -2.54 1.71 0.00 -1.46 0.00 0.00 42.92 40.50 1ffu s ASP 663 CO 0.03 -1.19 2.13 0.03 0.52 0.00 0.00 175.17 176.68 1ffu h ARG 664 N 9.70 0.00 0.00 4.34 3.08 -1.77 0.90 114.38 130.63 1ffu h ARG 664 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1ffu h ARG 664 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1ffu h ARG 664 CO 1.05 0.04 -0.82 0.00 -1.07 0.00 0.00 179.97 179.18 1ffu h ALA 665 N 1.96 0.59 0.00 0.04 0.00 -1.83 0.11 119.26 120.13 1ffu h ALA 665 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ffu h ALA 665 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ffu h ALA 665 CO 0.01 0.00 -0.19 0.25 0.00 0.00 0.00 179.25 179.32 1ffu n THR 666 N -2.72 0.00 -0.81 0.00 -2.24 -1.12 -4.79 114.28 102.60 1ffu n THR 666 Ca 0.01 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1ffu n THR 666 Cb 0.54 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 1ffu n THR 666 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ffu n GLY 667 N 0.84 0.77 3.73 3.38 0.00 0.30 -4.68 105.19 109.53 1ffu n GLY 667 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1ffu n GLY 667 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ffu s GLU 668 N -0.19 4.47 -0.20 1.61 2.02 -1.24 -4.13 118.70 121.04 1ffu s GLU 668 Ca 0.00 1.88 -0.03 0.00 0.02 0.00 0.00 54.97 56.84 1ffu s GLU 668 Cb 0.00 -3.25 -0.01 0.00 0.10 0.00 0.00 34.13 30.97 1ffu s GLU 668 CO 0.00 -0.12 -0.05 0.99 0.02 0.00 0.00 175.26 176.09 1ffu s THR 669 N 0.08 3.36 -0.24 3.63 2.01 -1.26 -0.33 115.64 122.89 1ffu s THR 669 Ca 0.54 -0.51 -0.04 0.00 0.31 0.00 0.00 61.69 61.99 1ffu s THR 669 Cb -0.33 -2.51 -0.00 0.00 0.01 0.00 0.00 72.50 69.67 1ffu s THR 669 CO 0.36 0.44 -0.02 -0.75 -0.69 0.00 0.00 174.62 173.96 1ffu s LYS 670 N 1.27 3.28 -0.34 4.92 2.47 -0.31 -4.97 119.74 126.06 1ffu s LYS 670 Ca 0.03 -0.70 -0.29 0.00 -1.56 0.00 0.00 55.97 53.46 1ffu s LYS 670 Cb -0.14 -3.08 -0.00 0.00 -1.46 0.00 0.00 37.83 33.14 1ffu s LYS 670 CO -0.02 -0.26 1.47 0.08 0.16 0.00 0.00 175.35 176.78 1ffu s VAL 671 N 1.47 3.87 0.08 4.02 1.01 -1.26 -1.02 120.40 128.56 1ffu s VAL 671 Ca 0.05 0.93 0.08 0.00 0.00 0.00 0.00 61.98 63.03 1ffu s VAL 671 Cb -0.15 -4.03 -0.22 0.00 0.00 0.00 0.00 36.38 31.99 1ffu s VAL 671 CO -0.02 -0.56 1.12 -0.09 0.00 0.00 0.00 175.10 175.55 1ffu h ARG 672 N 10.65 0.01 -1.79 2.72 2.43 -1.06 -3.48 114.38 123.86 1ffu h ARG 672 Ca -0.29 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 58.87 1ffu h ARG 672 Cb 1.12 0.01 -0.22 0.00 -0.42 0.00 0.00 29.97 30.46 1ffu h ARG 672 CO 1.05 0.88 0.34 0.50 -1.51 0.00 0.00 179.97 181.23 1ffu s ARG 673 N -2.68 0.78 -0.10 0.20 3.52 -1.01 -4.99 118.95 114.68 1ffu s ARG 673 Ca -0.01 0.40 -0.04 0.00 -0.13 0.00 0.00 55.73 55.95 1ffu s ARG 673 Cb 0.09 0.37 0.05 0.00 -1.56 0.00 0.00 34.95 33.91 1ffu s ARG 673 CO 0.82 -0.20 0.20 0.12 -0.81 0.00 0.00 175.30 175.43 1ffu s PHE 674 N -0.68 -0.26 -0.20 5.12 2.19 -1.26 -0.49 117.98 122.40 1ffu s PHE 674 Ca -0.04 0.72 0.00 0.00 0.33 0.00 0.00 56.93 57.94 1ffu s PHE 674 Cb -0.02 -0.15 0.02 0.00 -1.31 0.00 0.00 43.02 41.57 1ffu s PHE 674 CO 0.03 -0.28 -0.15 -0.47 1.83 0.00 0.00 175.22 176.18 1ffu s TYR 675 N 2.12 2.90 -0.19 10.12 6.14 0.63 -1.98 117.35 137.08 1ffu s TYR 675 Ca 0.00 -1.63 -0.00 0.00 0.64 0.00 0.00 57.07 56.08 1ffu s TYR 675 Cb -0.12 -1.96 0.01 0.00 0.42 0.00 0.00 41.96 40.31 1ffu s TYR 675 CO -0.07 -0.77 -0.15 0.00 0.64 0.00 0.00 175.55 175.20 1ffu s ALA 676 N 1.30 2.49 -0.18 3.97 0.00 0.89 -1.06 121.76 129.16 1ffu s ALA 676 Ca 0.03 -1.17 -0.01 0.00 0.00 0.00 0.00 51.96 50.81 1ffu s ALA 676 Cb -0.14 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.65 1ffu s ALA 676 CO -0.10 -0.31 -0.12 -1.17 0.00 0.00 0.00 175.76 174.07 1ffu s LEU 677 N 1.24 2.57 0.01 0.00 0.20 -0.68 -0.51 118.68 121.52 1ffu s LEU 677 Ca 0.03 -0.47 0.07 0.00 0.69 0.00 0.00 54.13 54.45 1ffu s LEU 677 Cb -0.14 -1.61 -0.02 0.00 -0.43 0.00 0.00 46.19 43.99 1ffu s LEU 677 CO -0.08 0.03 -0.21 -1.81 -0.29 0.00 0.00 176.35 174.00 1ffu s ASP 678 N 1.15 2.45 -0.28 3.68 1.11 -0.81 -1.09 116.67 122.87 1ffu s ASP 678 Ca 0.01 -0.44 0.00 0.00 0.18 0.00 0.00 52.55 52.30 1ffu s ASP 678 Cb -0.14 -0.24 0.08 0.00 1.07 0.00 0.00 42.92 43.69 1ffu s ASP 678 CO -0.04 0.21 0.04 -0.62 1.18 0.00 0.00 175.17 175.94 1ffu s ASP 679 N -0.80 3.97 -0.31 0.27 -1.08 -0.08 -3.51 116.67 115.13 1ffu s ASP 679 Ca 0.08 -1.50 0.08 0.00 -0.52 0.00 0.00 52.55 50.69 1ffu s ASP 679 Cb -0.08 -1.05 0.52 0.00 -1.46 0.00 0.00 42.92 40.84 1ffu s ASP 679 CO 0.00 -0.35 1.50 0.00 0.52 0.00 0.00 175.17 176.85 1ffu n GLY 681 N -1.13 1.07 3.70 0.00 0.00 -1.25 -0.32 105.19 107.26 1ffu n GLY 681 Ca 0.36 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 1ffu n GLY 681 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ffu n THR 682 N 0.00 0.12 -3.65 2.61 -1.04 -0.39 -4.62 114.28 107.31 1ffu n THR 682 Ca 0.00 -0.03 -0.37 0.00 -2.04 0.00 0.00 64.05 61.61 1ffu n THR 682 Cb 0.00 -1.82 -0.10 0.00 -1.82 0.00 0.00 70.33 66.60 1ffu n THR 682 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1ffu s ARG 683 N 0.88 4.06 -0.10 -2.82 0.52 -1.26 -4.33 118.95 115.90 1ffu s ARG 683 Ca 0.75 -0.27 -0.25 0.00 -0.52 0.00 0.00 55.73 55.44 1ffu s ARG 683 Cb -0.57 -3.55 -0.21 0.00 0.52 0.00 0.00 34.95 31.14 1ffu s ARG 683 CO 0.36 0.03 0.81 0.82 0.02 0.00 0.00 175.30 177.34 1ffu h ILE 684 N 5.06 1.45 -2.50 1.52 2.04 -1.94 -3.14 117.51 119.99 1ffu h ILE 684 Ca -0.38 -1.86 -0.42 0.00 1.00 0.00 0.00 64.86 63.20 1ffu h ILE 684 Cb 1.17 2.63 -0.37 0.00 -0.74 0.00 0.00 36.82 39.52 1ffu h ILE 684 CO 0.64 0.45 -0.71 0.21 0.00 0.00 0.00 178.15 178.75 1ffu s ASN 685 N -5.97 2.53 0.39 1.72 3.84 -1.26 -0.87 114.94 115.32 1ffu s ASN 685 Ca -0.16 -0.95 0.14 0.00 0.21 0.00 0.00 52.86 52.10 1ffu s ASN 685 Cb -0.01 0.08 0.98 0.00 -0.55 0.00 0.00 41.25 41.74 1ffu s ASN 685 CO 0.60 -0.41 1.85 -0.65 -2.79 0.00 0.00 177.10 175.70 1ffu h PRO 686 N 8.34 0.50 -0.17 0.43 0.11 -1.81 -0.40 132.00 139.00 1ffu h PRO 686 Ca -0.17 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.89 1ffu h PRO 686 Cb 1.05 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1ffu h PRO 686 CO 0.38 0.33 0.03 1.98 -0.21 0.00 0.00 178.00 180.51 1ffu h MET 687 N 0.52 0.27 -0.36 1.05 1.85 -1.89 -1.18 114.93 115.20 1ffu h MET 687 Ca 0.48 -0.07 -0.09 0.00 -0.61 0.00 0.00 59.70 59.40 1ffu h MET 687 Cb 1.03 -0.03 -0.02 0.00 0.43 0.00 0.00 31.60 33.01 1ffu h MET 687 CO -0.21 0.45 -0.15 0.82 -0.40 0.00 0.00 176.91 177.41 1ffu h ILE 688 N 0.06 1.25 -0.56 1.77 2.04 -1.68 -2.65 117.51 117.75 1ffu h ILE 688 Ca 0.05 -1.17 -0.03 0.00 1.00 0.00 0.00 64.86 64.71 1ffu h ILE 688 Cb 0.30 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1ffu h ILE 688 CO 0.00 0.39 0.22 0.40 0.00 0.00 0.00 178.15 179.17 1ffu h ILE 689 N 0.58 1.22 -0.65 -0.67 2.04 -0.95 -2.61 117.51 116.47 1ffu h ILE 689 Ca 0.10 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1ffu h ILE 689 Cb 0.60 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1ffu h ILE 689 CO 0.04 0.27 0.41 -0.08 0.00 0.00 0.00 178.15 178.79 1ffu h GLU 690 N 0.77 0.87 -0.57 2.37 4.81 -0.91 -2.13 114.58 119.80 1ffu h GLU 690 Ca 0.19 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 1ffu h GLU 690 Cb 0.20 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1ffu h GLU 690 CO -0.02 0.59 -0.02 0.78 -0.73 0.00 0.00 179.01 179.62 1ffu h GLY 691 N 0.91 1.09 1.18 1.92 0.00 -1.15 -1.74 103.07 105.27 1ffu h GLY 691 Ca 0.24 -0.82 -0.05 0.00 0.00 0.00 0.00 47.33 46.70 1ffu h GLY 691 CO -0.05 0.75 0.23 1.46 0.00 0.00 0.00 176.54 178.93 1ffu h GLN 692 N 0.90 1.04 0.16 4.80 1.08 -1.05 -1.66 115.11 120.37 1ffu h GLN 692 Ca 0.16 -0.20 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 1ffu h GLN 692 Cb 0.57 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1ffu h GLN 692 CO 0.03 0.88 -0.08 0.82 -0.95 0.00 0.00 178.83 179.53 1ffu h ILE 693 N 1.01 0.96 -0.49 2.54 1.08 -1.23 -0.71 117.51 120.66 1ffu h ILE 693 Ca 0.23 -0.58 0.09 0.00 -0.39 0.00 0.00 64.86 64.21 1ffu h ILE 693 Cb 0.26 1.31 -0.08 0.00 -3.07 0.00 0.00 36.82 35.24 1ffu h ILE 693 CO -0.01 0.13 0.03 0.45 -0.69 0.00 0.00 178.15 178.06 1ffu h HIS 694 N -0.49 0.03 -0.15 1.37 3.86 -1.18 0.39 115.15 118.98 1ffu h HIS 694 Ca -0.02 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1ffu h HIS 694 Cb 0.38 0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 1ffu h HIS 694 CO 0.02 -0.08 0.05 0.78 0.86 0.00 0.00 177.93 179.56 1ffu h GLY 695 N 0.15 0.24 1.15 2.45 0.00 -1.26 -2.33 103.07 103.46 1ffu h GLY 695 Ca 0.25 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 1ffu h GLY 695 CO -0.38 0.13 0.23 -1.33 0.00 0.00 0.00 176.54 175.19 1ffu h GLY 696 N 0.06 1.15 1.40 4.60 0.00 -0.70 -1.02 103.07 108.58 1ffu h GLY 696 Ca 0.05 -0.66 -0.07 0.00 0.00 0.00 0.00 47.33 46.65 1ffu h GLY 696 CO -0.00 0.62 0.01 1.41 0.00 0.00 0.00 176.54 178.58 1ffu h LEU 697 N 1.04 0.70 -0.66 3.11 3.38 -0.91 -0.40 115.31 121.57 1ffu h LEU 697 Ca 0.23 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1ffu h LEU 697 Cb 0.27 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1ffu h LEU 697 CO -0.01 0.76 0.08 0.74 0.09 0.00 0.00 178.44 180.10 1ffu h THR 698 N 0.69 1.26 -0.48 0.22 2.02 -0.84 0.48 112.91 116.27 1ffu h THR 698 Ca 0.14 -1.07 -0.08 0.00 0.77 0.00 0.00 66.41 66.17 1ffu h THR 698 Cb 0.41 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1ffu h THR 698 CO 0.02 0.40 -0.01 -0.33 0.37 0.00 0.00 175.52 175.96 1ffu h GLU 699 N 1.02 0.80 -0.48 6.66 5.08 -0.74 -0.82 114.58 126.09 1ffu h GLU 699 Ca 0.20 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1ffu h GLU 699 Cb 0.47 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1ffu h GLU 699 CO 0.02 0.81 0.27 0.78 -1.00 0.00 0.00 179.01 179.89 1ffu h GLY 700 N 0.97 0.71 0.98 -3.84 0.00 -0.29 -0.05 103.07 101.56 1ffu h GLY 700 Ca 0.14 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 1ffu h GLY 700 CO 0.02 0.31 0.21 -1.82 0.00 0.00 0.00 176.54 175.26 1ffu h TYR 701 N 0.64 0.82 -0.55 5.60 5.03 -0.58 -0.61 116.97 127.32 1ffu h TYR 701 Ca 0.17 -0.06 -0.01 0.00 2.58 0.00 0.00 58.73 61.41 1ffu h TYR 701 Cb 0.04 -0.25 -0.03 0.00 1.55 0.00 0.00 36.73 38.05 1ffu h TYR 701 CO -0.02 0.68 0.32 0.00 -1.32 0.00 0.00 178.16 177.82 1ffu h ALA 702 N 1.06 0.70 -0.00 1.82 0.00 -0.75 -0.21 119.26 121.88 1ffu h ALA 702 Ca 0.18 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ffu h ALA 702 Cb 0.21 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ffu h ALA 702 CO -0.01 0.20 -0.00 0.28 0.00 0.00 0.00 179.25 179.71 1ffu h VAL 703 N 0.74 1.41 -0.44 0.00 2.07 -0.80 0.46 116.25 119.68 1ffu h VAL 703 Ca 0.20 -1.20 -0.14 0.00 0.82 0.00 0.00 66.70 66.38 1ffu h VAL 703 Cb 0.01 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1ffu h VAL 703 CO -0.03 0.31 -0.27 0.00 0.02 0.00 0.00 177.57 177.60 1ffu h ALA 704 N 0.49 0.68 0.00 1.67 0.00 -1.11 -3.30 119.26 117.70 1ffu h ALA 704 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1ffu h ALA 704 Cb 0.51 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ffu h ALA 704 CO 0.00 0.67 -0.94 -1.33 0.00 0.00 0.00 179.25 177.65 1ffu n MET 705 N -4.09 0.08 0.00 0.00 2.00 -0.09 0.01 117.12 115.03 1ffu n MET 705 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 57.70 57.68 1ffu n MET 705 Cb 0.48 -1.52 0.00 0.00 0.00 0.00 0.00 33.22 32.19 1ffu n MET 705 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ffu n GLY 706 N 1.47 0.08 3.76 3.03 0.00 -0.52 -3.28 105.19 109.74 1ffu n GLY 706 Ca 0.04 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1ffu n GLY 706 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ffu s GLN 707 N -1.00 4.40 -0.10 1.61 -0.21 0.15 -4.59 119.66 119.91 1ffu s GLN 707 Ca 0.00 2.13 -0.32 0.00 0.02 0.00 0.00 55.36 57.20 1ffu s GLN 707 Cb 0.00 -3.11 0.12 0.00 1.00 0.00 0.00 33.01 31.02 1ffu s GLN 707 CO 0.00 -0.16 1.04 1.14 -2.12 0.00 0.00 175.29 175.19 1ffu s GLN 708 N -1.31 0.57 -0.51 2.91 -2.07 -1.26 -4.45 119.66 113.54 1ffu s GLN 708 Ca 0.51 -0.18 0.04 0.00 -1.82 0.00 0.00 55.36 53.91 1ffu s GLN 708 Cb -0.38 0.26 0.17 0.00 -1.09 0.00 0.00 33.01 31.97 1ffu s GLN 708 CO 0.48 -0.24 0.40 -1.33 -1.32 0.00 0.00 175.29 173.27 1ffu n MET 709 N -0.09 0.73 -2.58 9.60 2.81 -1.10 -4.91 117.12 121.58 1ffu n MET 709 Ca -0.05 -3.60 -0.36 0.00 -1.81 0.00 0.00 57.70 51.88 1ffu n MET 709 Cb 0.60 -1.86 -0.04 0.00 -0.71 0.00 0.00 33.22 31.20 1ffu n MET 709 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1ffu s PRO 710 N -0.46 4.16 -0.04 0.03 0.04 -1.26 -4.89 135.00 132.58 1ffu s PRO 710 Ca 0.31 1.46 0.07 0.00 0.04 0.00 0.00 61.00 62.87 1ffu s PRO 710 Cb 0.02 -2.49 -0.01 0.00 0.04 0.00 0.00 34.50 32.05 1ffu s PRO 710 CO -0.19 -0.13 -0.25 -0.06 0.04 0.00 0.00 177.00 176.41 1ffu s PHE 711 N -1.72 2.34 0.84 0.56 0.40 -1.26 -0.69 117.98 118.44 1ffu s PHE 711 Ca 0.58 -0.59 -0.11 0.00 -0.60 0.00 0.00 56.93 56.21 1ffu s PHE 711 Cb -0.20 -1.52 0.14 0.00 0.51 0.00 0.00 43.02 41.94 1ffu s PHE 711 CO 0.25 -0.14 1.19 0.16 0.70 0.00 0.00 175.22 177.38 1ffu s ASP 712 N -0.33 3.93 0.55 1.36 1.47 -0.91 -4.89 116.67 117.85 1ffu s ASP 712 Ca 0.02 0.34 0.30 0.00 1.18 0.00 0.00 52.55 54.38 1ffu s ASP 712 Cb -0.12 -0.65 1.46 0.00 -0.34 0.00 0.00 42.92 43.27 1ffu s ASP 712 CO 0.02 -2.20 1.91 0.00 0.68 0.00 0.00 175.17 175.58 1ffu h ALA 713 N -1.15 2.65 -0.16 2.11 0.00 -2.01 1.00 119.26 121.70 1ffu h ALA 713 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1ffu h ALA 713 Cb 1.28 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1ffu h ALA 713 CO 0.49 -0.93 0.00 1.04 0.00 0.00 0.00 179.25 179.85 1ffu n GLN 714 N -4.19 1.69 -0.98 0.00 6.02 -1.26 -4.90 117.38 113.76 1ffu n GLN 714 Ca 0.15 -1.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.10 1ffu n GLN 714 Cb 0.83 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 30.70 1ffu n GLN 714 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ffu n GLY 715 N 1.11 0.44 3.73 1.08 0.00 0.35 -4.51 105.19 107.40 1ffu n GLY 715 Ca 0.16 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 1ffu n GLY 715 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ffu s ASN 716 N -2.56 7.27 0.01 1.61 0.01 -1.26 -4.62 114.94 115.40 1ffu s ASN 716 Ca 0.00 1.52 -0.30 0.00 -0.71 0.00 0.00 52.86 53.37 1ffu s ASN 716 Cb 0.00 -2.50 -0.05 0.00 0.41 0.00 0.00 41.25 39.11 1ffu s ASN 716 CO 0.00 -0.05 1.21 -0.22 -1.51 0.00 0.00 177.10 176.53 1ffu s LEU 717 N 0.17 4.33 0.01 0.60 0.20 -1.26 -2.14 118.68 120.59 1ffu s LEU 717 Ca 0.42 1.94 0.01 0.00 0.69 0.00 0.00 54.13 57.19 1ffu s LEU 717 Cb -0.21 -3.57 -0.04 0.00 -0.43 0.00 0.00 46.19 41.94 1ffu s LEU 717 CO 0.25 -0.53 0.03 -0.76 -0.29 0.00 0.00 176.35 175.05 1ffu s LEU 718 N 1.61 3.66 -1.18 -0.68 1.43 0.13 -4.64 118.68 119.01 1ffu s LEU 718 Ca 0.58 0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.67 1ffu s LEU 718 Cb -0.27 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 43.80 1ffu s LEU 718 CO 0.26 0.26 1.01 0.61 0.23 0.00 0.00 176.35 178.72 1ffu n GLY 719 N 1.18 -0.37 1.28 -3.19 0.00 -1.26 -4.07 105.19 98.77 1ffu n GLY 719 Ca -0.13 0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.07 1ffu n GLY 719 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ffu n ASN 720 N -2.81 3.75 -4.27 1.61 6.94 -1.26 -3.54 115.26 115.67 1ffu n ASN 720 Ca -0.13 -2.41 -0.22 0.00 -0.02 0.00 0.00 54.58 51.81 1ffu n ASN 720 Cb 0.60 -0.52 -0.10 0.00 -2.36 0.00 0.00 39.78 37.40 1ffu n ASN 720 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1ffu s THR 721 N -1.88 0.79 -1.71 5.53 -4.23 -1.26 -4.32 115.64 108.56 1ffu s THR 721 Ca 0.37 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.01 1ffu s THR 721 Cb 0.25 -2.59 0.30 0.00 1.34 0.00 0.00 72.50 71.79 1ffu s THR 721 CO 0.16 0.00 1.27 0.18 -0.54 0.00 0.00 174.62 175.69 1ffu n LEU 722 N -0.70 0.00 -0.23 4.79 4.77 -1.26 -0.83 117.00 123.54 1ffu n LEU 722 Ca -0.03 0.14 -0.06 0.00 -0.03 0.00 0.00 56.01 56.04 1ffu n LEU 722 Cb 0.66 -0.14 0.09 0.00 -2.33 0.00 0.00 43.42 41.69 1ffu n LEU 722 CO 0.38 -0.08 0.97 0.24 -1.33 0.00 0.00 177.39 177.57 1ffu h MET 723 N 0.00 1.07 0.00 3.23 2.86 -1.95 -3.38 114.93 116.75 1ffu h MET 723 Ca 0.00 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1ffu h MET 723 Cb 0.06 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.57 1ffu h MET 723 CO 0.00 0.93 -0.70 -0.25 1.06 0.00 0.00 176.91 177.96 1ffu n ASP 724 N -4.25 3.38 -4.63 1.22 8.00 -1.00 -5.01 116.55 114.26 1ffu n ASP 724 Ca 0.05 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.13 1ffu n ASP 724 Cb 0.24 0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 41.61 1ffu n ASP 724 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1ffu s TYR 725 N -1.70 1.49 0.09 1.24 5.04 -0.01 -4.90 117.35 118.61 1ffu s TYR 725 Ca 0.00 0.26 -0.31 0.00 -2.44 0.00 0.00 57.07 54.58 1ffu s TYR 725 Cb 0.00 -4.05 -0.09 0.00 0.35 0.00 0.00 41.96 38.18 1ffu s TYR 725 CO 0.00 -4.13 1.68 0.12 -1.34 0.00 0.00 175.55 171.88 1ffu s PHE 726 N 6.28 2.44 -0.19 4.97 5.36 -1.26 -4.63 117.98 130.93 1ffu s PHE 726 Ca 0.88 0.28 -0.04 0.00 -0.96 0.00 0.00 56.93 57.09 1ffu s PHE 726 Cb -0.33 -4.00 0.08 0.00 -0.34 0.00 0.00 43.02 38.43 1ffu s PHE 726 CO 0.35 -4.02 0.16 -0.51 -1.46 0.00 0.00 175.22 169.74 1ffu s LEU 727 N 2.49 0.13 0.50 6.12 1.43 -1.26 -4.66 118.68 123.42 1ffu s LEU 727 Ca 0.75 -0.47 -0.24 0.00 -1.03 0.00 0.00 54.13 53.14 1ffu s LEU 727 Cb -0.41 0.06 -0.07 0.00 0.03 0.00 0.00 46.19 45.80 1ffu s LEU 727 CO 0.33 -0.34 1.40 -2.16 0.23 0.00 0.00 176.35 175.80 1ffu s PRO 728 N 2.23 3.43 0.46 1.29 0.04 -1.26 -5.05 135.00 136.14 1ffu s PRO 728 Ca 0.05 2.34 0.07 0.00 0.04 0.00 0.00 61.00 63.49 1ffu s PRO 728 Cb -0.16 -2.47 0.07 0.00 0.04 0.00 0.00 34.50 31.98 1ffu s PRO 728 CO -0.12 -1.00 0.56 0.25 0.04 0.00 0.00 177.00 176.73 1ffu n THR 729 N -0.59 0.00 0.24 1.26 -2.24 -1.26 -4.91 114.28 106.79 1ffu n THR 729 Ca 0.08 -1.61 0.14 0.00 -2.27 0.00 0.00 64.05 60.39 1ffu n THR 729 Cb 0.43 -0.48 0.80 0.00 -2.10 0.00 0.00 70.33 68.99 1ffu n THR 729 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ffu h ALA 730 N 0.32 1.80 -0.06 6.98 0.00 -1.96 -1.98 119.26 124.36 1ffu h ALA 730 Ca -0.23 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 1ffu h ALA 730 Cb 1.01 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.81 1ffu h ALA 730 CO 0.34 -0.12 -0.61 0.28 0.00 0.00 0.00 179.25 179.14 1ffu h VAL 731 N 0.00 1.37 0.00 0.00 2.07 -2.02 -3.30 116.25 114.38 1ffu h VAL 731 Ca 0.04 -1.97 -0.09 0.00 0.82 0.00 0.00 66.70 65.51 1ffu h VAL 731 Cb 0.20 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1ffu h VAL 731 CO -0.00 0.59 -0.42 -0.33 0.02 0.00 0.00 177.57 177.43 1ffu h GLU 732 N 0.09 0.00 -6.21 1.57 3.07 -1.85 -3.44 114.58 107.81 1ffu h GLU 732 Ca -0.06 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.24 1ffu h GLU 732 Cb 1.28 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.15 1ffu h GLU 732 CO 0.12 0.42 0.76 0.99 -1.40 0.00 0.00 179.01 179.91 1ffu s THR 733 N -3.14 4.43 0.74 1.13 2.01 -0.77 -4.95 115.64 115.09 1ffu s THR 733 Ca 0.03 1.73 -0.11 0.00 0.31 0.00 0.00 61.69 63.65 1ffu s THR 733 Cb 0.08 -4.12 0.04 0.00 0.01 0.00 0.00 72.50 68.51 1ffu s THR 733 CO 0.72 -0.08 1.09 -2.16 -0.69 0.00 0.00 174.62 173.50 1ffu s PRO 734 N 2.77 2.54 -0.12 4.92 0.04 -1.26 -4.93 135.00 138.96 1ffu s PRO 734 Ca 0.52 0.58 -0.29 0.00 0.04 0.00 0.00 61.00 61.85 1ffu s PRO 734 Cb -0.21 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1ffu s PRO 734 CO 0.16 -1.29 1.13 -1.58 0.04 0.00 0.00 177.00 175.46 1ffu s HIS 735 N -3.24 3.23 -0.04 0.56 5.65 -1.26 -5.01 115.29 115.18 1ffu s HIS 735 Ca 0.59 1.32 -0.17 0.00 0.25 0.00 0.00 55.06 57.05 1ffu s HIS 735 Cb -0.13 -3.35 -0.05 0.00 -1.18 0.00 0.00 32.58 27.87 1ffu s HIS 735 CO 0.53 -0.95 0.47 -1.58 -0.65 0.00 0.00 174.74 172.56 1ffu s TRP 736 N 2.60 3.65 -0.20 3.88 0.52 -1.26 -4.53 118.94 123.60 1ffu s TRP 736 Ca 0.51 1.00 -0.06 0.00 0.02 0.00 0.00 56.10 57.57 1ffu s TRP 736 Cb -0.21 -2.44 -0.03 0.00 -1.15 0.00 0.00 33.47 29.64 1ffu s TRP 736 CO 0.16 0.43 0.04 -1.21 0.02 0.00 0.00 176.95 176.39 1ffu s GLU 737 N -0.34 3.79 0.11 4.98 2.02 -0.84 -5.04 118.70 123.39 1ffu s GLU 737 Ca 0.26 -0.43 0.10 0.00 0.02 0.00 0.00 54.97 54.91 1ffu s GLU 737 Cb -0.16 -3.16 -0.04 0.00 0.10 0.00 0.00 34.13 30.86 1ffu s GLU 737 CO 0.13 0.12 -0.24 0.95 0.02 0.00 0.00 175.26 176.24 1ffu s THR 738 N 0.75 2.40 0.27 3.63 -4.23 -1.26 -0.08 115.64 117.12 1ffu s THR 738 Ca 0.02 -1.62 -0.05 0.00 -1.18 0.00 0.00 61.69 58.86 1ffu s THR 738 Cb -0.14 -2.05 -0.01 0.00 1.34 0.00 0.00 72.50 71.64 1ffu s THR 738 CO 0.02 0.15 0.37 -0.62 -0.54 0.00 0.00 174.62 174.00 1ffu s ASP 739 N -1.92 0.44 0.13 3.99 -1.08 0.33 -4.94 116.67 113.62 1ffu s ASP 739 Ca 0.15 -1.30 -0.26 0.00 -0.52 0.00 0.00 52.55 50.62 1ffu s ASP 739 Cb -0.10 0.56 0.07 0.00 -1.46 0.00 0.00 42.92 41.99 1ffu s ASP 739 CO 0.06 -1.11 0.98 -1.38 0.52 0.00 0.00 175.17 174.24 1ffu s HIS 740 N -3.68 -0.14 0.16 -5.34 -3.43 -1.26 -1.93 115.29 99.66 1ffu s HIS 740 Ca 0.31 -0.13 -0.02 0.00 -0.80 0.00 0.00 55.06 54.42 1ffu s HIS 740 Cb 0.02 0.62 -0.04 0.00 -1.43 0.00 0.00 32.58 31.75 1ffu s HIS 740 CO 0.15 -0.76 0.10 0.95 -2.00 0.00 0.00 174.74 173.18 1ffu s THR 741 N -3.20 0.07 -0.26 -5.38 -4.23 -1.23 -4.95 115.64 96.45 1ffu s THR 741 Ca 0.12 -1.89 0.01 0.00 -1.18 0.00 0.00 61.69 58.74 1ffu s THR 741 Cb -0.01 -2.17 0.07 0.00 1.34 0.00 0.00 72.50 71.73 1ffu s THR 741 CO 0.01 -0.31 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.08 1ffu s VAL 742 N -4.08 1.57 -0.49 2.29 1.01 -1.26 -4.38 120.40 115.07 1ffu s VAL 742 Ca 0.28 -1.43 0.03 0.00 0.00 0.00 0.00 61.98 60.86 1ffu s VAL 742 Cb 0.07 -1.93 0.14 0.00 0.00 0.00 0.00 36.38 34.66 1ffu s VAL 742 CO 0.05 -0.26 0.27 -0.89 0.00 0.00 0.00 175.10 174.27 1ffu s THR 743 N 1.34 1.91 0.57 3.92 2.01 -1.26 -4.94 115.64 119.19 1ffu s THR 743 Ca -0.01 -2.96 -0.19 0.00 0.31 0.00 0.00 61.69 58.83 1ffu s THR 743 Cb -0.19 -2.33 -0.06 0.00 0.01 0.00 0.00 72.50 69.94 1ffu s THR 743 CO -0.09 -0.88 0.98 -2.65 -0.69 0.00 0.00 174.62 171.29 1ffu n PRO 744 N 3.25 1.00 -2.72 4.92 -0.02 -1.26 -3.86 135.00 136.32 1ffu n PRO 744 Ca 0.09 0.38 -0.43 0.00 -2.02 0.00 0.00 63.50 61.52 1ffu n PRO 744 Cb 0.34 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 1ffu n PRO 744 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ffu s SER 745 N -1.14 6.88 0.26 2.55 0.15 -0.81 -4.75 113.70 116.82 1ffu s SER 745 Ca 0.73 0.98 -0.03 0.00 0.70 0.00 0.00 55.95 58.33 1ffu s SER 745 Cb -0.44 -2.51 0.40 0.00 -1.71 0.00 0.00 66.02 61.77 1ffu s SER 745 CO 0.49 -0.80 1.85 -0.65 1.20 0.00 0.00 173.24 175.34 1ffu h PRO 746 N 8.05 1.00 0.00 5.44 0.11 -1.90 -2.87 132.00 141.82 1ffu h PRO 746 Ca -0.21 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1ffu h PRO 746 Cb 1.07 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1ffu h PRO 746 CO 0.99 0.66 0.00 1.12 -0.21 0.00 0.00 178.00 180.56 1ffu h HIS 747 N 1.02 0.00 -3.57 0.65 2.07 -1.94 -3.46 115.15 109.92 1ffu h HIS 747 Ca 0.42 0.00 -0.51 0.00 -2.85 0.00 0.00 60.37 57.42 1ffu h HIS 747 Cb 0.24 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.22 1ffu h HIS 747 CO -0.02 0.00 0.44 -1.58 -3.07 0.00 0.00 177.93 173.70 1ffu s HIS 748 N -3.30 3.66 0.45 6.12 5.04 -1.08 -4.94 115.29 121.24 1ffu s HIS 748 Ca 0.06 1.66 0.23 0.00 -1.54 0.00 0.00 55.06 55.48 1ffu s HIS 748 Cb 0.07 -3.21 1.23 0.00 0.04 0.00 0.00 32.58 30.71 1ffu s HIS 748 CO 0.63 -0.36 1.81 -1.35 -2.34 0.00 0.00 174.74 173.12 1ffu h PRO 749 N 5.17 0.27 0.00 2.88 0.11 -1.88 -2.13 132.00 136.42 1ffu h PRO 749 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1ffu h PRO 749 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1ffu h PRO 749 CO 0.72 0.18 -0.01 0.44 -0.21 0.00 0.00 178.00 179.11 1ffu n ILE 750 N -4.48 1.04 -1.20 4.15 -5.35 -1.26 -5.00 119.36 107.26 1ffu n ILE 750 Ca 0.23 -1.11 -0.07 0.00 -0.27 0.00 0.00 62.75 61.53 1ffu n ILE 750 Cb 0.93 0.41 -0.03 0.00 -1.74 0.00 0.00 39.64 39.21 1ffu n ILE 750 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ffu n GLY 751 N -0.61 0.78 3.82 3.28 0.00 -0.80 -4.58 105.19 107.07 1ffu n GLY 751 Ca 0.03 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1ffu n GLY 751 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ffu s ALA 752 N -1.84 3.62 0.25 4.61 0.00 -1.26 -1.27 121.76 125.87 1ffu s ALA 752 Ca 0.00 -0.04 0.10 0.00 0.00 0.00 0.00 51.96 52.02 1ffu s ALA 752 Cb 0.00 -2.57 -0.04 0.00 0.00 0.00 0.00 23.12 20.51 1ffu s ALA 752 CO 0.00 0.41 -0.09 0.15 0.00 0.00 0.00 175.76 176.23 1ffu s LYS 753 N -1.06 2.04 0.87 0.00 1.02 0.56 -4.55 119.74 118.62 1ffu s LYS 753 Ca 0.27 -1.49 -0.11 0.00 0.02 0.00 0.00 55.97 54.67 1ffu s LYS 753 Cb -0.19 -2.04 0.12 0.00 -0.52 0.00 0.00 37.83 35.20 1ffu s LYS 753 CO 0.17 0.37 1.10 0.20 -0.92 0.00 0.00 175.35 176.27 1ffu s GLY 754 N -3.40 1.65 0.00 -3.33 0.00 -1.26 -4.81 107.32 96.17 1ffu s GLY 754 Ca 0.29 0.22 0.00 0.00 0.00 0.00 0.00 44.72 45.23 1ffu s GLY 754 CO 0.17 0.65 0.00 1.55 0.00 0.00 0.00 173.10 175.48 1ffu n VAL 755 N -3.90 0.00 -0.20 1.40 3.14 -1.26 -4.71 118.33 112.79 1ffu n VAL 755 Ca 0.09 0.00 0.11 0.00 -2.96 0.00 0.00 64.34 61.58 1ffu n VAL 755 Cb 0.53 0.03 0.42 0.00 -1.06 0.00 0.00 33.84 33.76 1ffu n VAL 755 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ffu h ALA 756 N 0.00 1.89 0.00 1.55 0.00 -1.93 -2.71 119.26 118.07 1ffu h ALA 756 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ffu h ALA 756 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ffu h ALA 756 CO 0.00 -0.08 -0.68 0.39 0.00 0.00 0.00 179.25 178.87 1ffu n GLU 757 N -4.51 0.08 -0.03 0.00 1.02 -1.26 -4.33 120.64 111.61 1ffu n GLU 757 Ca 0.14 0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 57.19 1ffu n GLU 757 Cb 0.42 -1.53 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 1ffu n GLU 757 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1ffu h SER 758 N 0.00 0.15 -0.44 1.62 0.02 -1.84 -1.90 113.55 111.15 1ffu h SER 758 Ca 0.00 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.00 1ffu h SER 758 Cb 0.56 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1ffu h SER 758 CO 0.00 0.11 0.29 1.55 -1.14 0.00 0.00 176.83 177.64 1ffu h PRO 759 N 0.20 0.41 0.24 3.45 0.13 -1.75 -0.43 132.00 134.24 1ffu h PRO 759 Ca 0.07 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 1ffu h PRO 759 Cb 0.01 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.05 1ffu h PRO 759 CO -0.04 0.27 -0.11 1.25 -0.23 0.00 0.00 178.00 179.14 1ffu h HIS 760 N 0.42 -0.29 -0.42 1.56 -0.00 -1.56 -2.27 115.15 112.59 1ffu h HIS 760 Ca 0.18 -0.01 0.07 0.00 -0.00 0.00 0.00 60.37 60.61 1ffu h HIS 760 Cb 0.20 0.10 -0.06 0.00 -0.00 0.00 0.00 27.41 27.64 1ffu h HIS 760 CO -0.00 0.07 0.07 0.28 -0.00 0.00 0.00 177.93 178.36 1ffu h VAL 761 N -0.91 0.76 0.04 5.26 2.07 -1.18 -3.14 116.25 119.16 1ffu h VAL 761 Ca -0.03 -0.07 -0.25 0.00 0.82 0.00 0.00 66.70 67.17 1ffu h VAL 761 Cb 0.50 0.55 0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1ffu h VAL 761 CO 0.05 0.04 -1.05 1.23 0.02 0.00 0.00 177.57 177.86 1ffu h GLY 762 N 0.20 0.47 1.12 2.17 0.00 -1.19 -3.36 103.07 102.49 1ffu h GLY 762 Ca 0.21 -0.91 -0.07 0.00 0.00 0.00 0.00 47.33 46.55 1ffu h GLY 762 CO -0.28 0.81 0.15 1.48 0.00 0.00 0.00 176.54 178.70 1ffu h SER 763 N 0.21 1.03 -0.11 0.19 4.64 -1.39 -3.04 113.55 115.08 1ffu h SER 763 Ca -0.11 -0.22 0.05 0.00 -0.47 0.00 0.00 61.79 61.04 1ffu h SER 763 Cb 1.71 -0.27 -0.06 0.00 -0.31 0.00 0.00 62.40 63.47 1ffu h SER 763 CO 0.18 1.00 -0.26 0.40 -0.87 0.00 0.00 176.83 177.28 1ffu h ILE 764 N 1.03 0.39 0.00 0.95 2.04 -1.69 -0.73 117.51 119.50 1ffu h ILE 764 Ca 0.21 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.07 1ffu h ILE 764 Cb 0.38 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1ffu h ILE 764 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 178.15 179.70 1ffu h PRO 765 N -0.34 0.00 -0.38 2.37 0.13 -1.75 -2.72 132.00 129.31 1ffu h PRO 765 Ca 0.10 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.07 1ffu h PRO 765 Cb 0.48 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 1ffu h PRO 765 CO -0.31 0.00 -0.36 1.15 -0.23 0.00 0.00 178.00 178.25 1ffu h THR 766 N 0.00 1.27 -0.28 1.56 2.02 -1.05 0.40 112.91 116.82 1ffu h THR 766 Ca 0.00 -1.53 -0.06 0.00 0.77 0.00 0.00 66.41 65.59 1ffu h THR 766 Cb 0.51 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 1ffu h THR 766 CO 0.00 0.51 -0.05 -0.26 0.37 0.00 0.00 175.52 176.10 1ffu h PHE 767 N 0.75 0.59 -0.46 3.16 0.04 -0.97 -1.70 116.94 118.34 1ffu h PHE 767 Ca 0.07 -0.12 -0.07 0.00 2.80 0.00 0.00 57.97 60.65 1ffu h PHE 767 Cb 0.95 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.93 1ffu h PHE 767 CO 0.06 0.71 0.02 1.15 -0.60 0.00 0.00 178.31 179.65 1ffu h THR 768 N 0.30 1.23 -0.80 -1.55 2.02 -1.46 -0.64 112.91 112.01 1ffu h THR 768 Ca 0.07 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 1ffu h THR 768 Cb 0.51 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 1ffu h THR 768 CO 0.02 0.33 0.45 0.00 0.37 0.00 0.00 175.52 176.70 1ffu h ALA 769 N 1.31 1.29 -0.20 6.16 0.00 -0.71 0.91 119.26 128.02 1ffu h ALA 769 Ca 0.14 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 1ffu h ALA 769 Cb 0.41 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ffu h ALA 769 CO 0.01 0.59 -0.66 0.00 0.00 0.00 0.00 179.25 179.20 1ffu h ALA 770 N 1.38 0.46 -0.14 0.00 0.00 -0.52 -1.12 119.26 119.32 1ffu h ALA 770 Ca 0.29 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1ffu h ALA 770 Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1ffu h ALA 770 CO -0.05 0.69 -0.23 0.28 0.00 0.00 0.00 179.25 179.94 1ffu h VAL 771 N 0.54 1.36 -0.37 0.00 2.07 -0.76 -2.82 116.25 116.28 1ffu h VAL 771 Ca -0.02 -1.47 -0.04 0.00 0.82 0.00 0.00 66.70 65.99 1ffu h VAL 771 Cb 1.26 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 1ffu h VAL 771 CO 0.13 0.44 0.09 0.58 0.02 0.00 0.00 177.57 178.83 1ffu h VAL 772 N 0.01 1.23 -0.25 2.57 2.07 -0.89 -2.57 116.25 118.42 1ffu h VAL 772 Ca 0.01 -0.77 0.07 0.00 0.82 0.00 0.00 66.70 66.83 1ffu h VAL 772 Cb 0.81 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1ffu h VAL 772 CO 0.05 0.26 0.24 -0.78 0.02 0.00 0.00 177.57 177.37 1ffu h ASP 773 N 0.45 0.00 0.92 0.57 3.58 -1.21 0.29 116.42 121.02 1ffu h ASP 773 Ca 0.12 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.50 1ffu h ASP 773 Cb 0.31 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1ffu h ASP 773 CO 0.00 0.00 -0.29 0.00 -2.88 0.00 0.00 179.24 176.07 1ffu h ALA 774 N 1.75 1.00 -0.01 -0.78 0.00 -1.19 -3.00 119.26 117.03 1ffu h ALA 774 Ca 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ffu h ALA 774 Cb 0.60 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ffu h ALA 774 CO -0.00 0.36 -0.47 1.19 0.00 0.00 0.00 179.25 180.34 1ffu n PHE 775 N -3.44 0.00 -0.29 0.00 3.01 0.79 -4.70 117.46 112.83 1ffu n PHE 775 Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.57 1ffu n PHE 775 Cb 0.47 0.00 0.26 0.00 -0.01 0.00 0.00 39.48 40.21 1ffu n PHE 775 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ffu h ALA 776 N 3.00 1.30 0.00 4.37 0.00 -0.77 -2.08 119.26 125.07 1ffu h ALA 776 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ffu h ALA 776 Cb 0.57 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ffu h ALA 776 CO 0.00 -0.30 0.00 1.12 0.00 0.00 0.00 179.25 180.07 1ffu h HIS 777 N 0.41 0.00 -0.52 0.00 2.07 -1.84 -1.10 115.15 114.17 1ffu h HIS 777 Ca 0.51 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.98 1ffu h HIS 777 Cb 0.91 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.86 1ffu h HIS 777 CO -0.16 0.00 0.05 1.33 -3.07 0.00 0.00 177.93 176.09 1ffu n VAL 778 N -3.07 2.68 -0.49 6.12 0.24 -0.79 -4.95 118.33 118.08 1ffu n VAL 778 Ca -0.02 -1.62 0.00 0.00 -2.04 0.00 0.00 64.34 60.65 1ffu n VAL 778 Cb 0.10 -0.29 0.00 0.00 -1.47 0.00 0.00 33.84 32.18 1ffu n VAL 778 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ffu n GLY 779 N 0.12 0.79 3.72 7.63 0.00 -0.42 -5.04 105.19 111.98 1ffu n GLY 779 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 1ffu n GLY 779 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ffu s VAL 780 N -3.00 3.28 -0.12 1.61 1.01 -1.19 -4.92 120.40 117.07 1ffu s VAL 780 Ca 0.00 0.93 0.12 0.00 0.00 0.00 0.00 61.98 63.03 1ffu s VAL 780 Cb 0.00 -3.59 -0.17 0.00 0.00 0.00 0.00 36.38 32.62 1ffu s VAL 780 CO 0.00 0.08 0.07 0.35 0.00 0.00 0.00 175.10 175.60 1ffu n THR 781 N 3.88 0.83 -3.52 3.92 -2.24 -1.26 -4.24 114.28 111.65 1ffu n THR 781 Ca 0.11 -0.54 -0.16 0.00 -2.27 0.00 0.00 64.05 61.19 1ffu n THR 781 Cb 0.42 -0.57 -0.05 0.00 -2.10 0.00 0.00 70.33 68.03 1ffu n THR 781 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1ffu s HIS 782 N -2.39 -0.59 -0.04 4.78 5.65 -1.26 -4.78 115.29 116.67 1ffu s HIS 782 Ca -0.06 0.94 -0.01 0.00 0.25 0.00 0.00 55.06 56.17 1ffu s HIS 782 Cb 0.04 0.44 0.03 0.00 -1.18 0.00 0.00 32.58 31.91 1ffu s HIS 782 CO 0.55 -0.58 0.07 -0.51 -0.65 0.00 0.00 174.74 173.62 1ffu s LEU 783 N -1.36 0.79 0.44 8.88 1.43 -1.26 -5.09 118.68 122.51 1ffu s LEU 783 Ca -0.08 0.12 -0.23 0.00 -1.03 0.00 0.00 54.13 52.92 1ffu s LEU 783 Cb -0.00 0.04 -0.08 0.00 0.03 0.00 0.00 46.19 46.17 1ffu s LEU 783 CO 0.06 -0.16 1.06 -1.81 0.23 0.00 0.00 176.35 175.73 1ffu s ASP 784 N 1.33 6.52 0.69 2.29 1.01 -1.26 -5.00 116.67 122.25 1ffu s ASP 784 Ca -0.06 2.05 -0.11 0.00 0.71 0.00 0.00 52.55 55.13 1ffu s ASP 784 Cb -0.12 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.23 1ffu s ASP 784 CO -0.04 -0.66 1.06 -0.04 0.21 0.00 0.00 175.17 175.70 1ffu s MET 785 N -2.77 2.97 0.47 8.23 -1.94 -1.26 -4.53 119.30 120.47 1ffu s MET 785 Ca 0.62 0.88 -0.17 0.00 -1.71 0.00 0.00 55.69 55.31 1ffu s MET 785 Cb -0.21 -2.00 -0.08 0.00 2.01 0.00 0.00 34.83 34.54 1ffu s MET 785 CO 0.26 -1.06 0.94 -2.14 -0.01 0.00 0.00 175.02 173.01 1ffu s PRO 786 N -5.08 4.00 -1.23 2.03 0.02 -1.26 -4.76 135.00 128.71 1ffu s PRO 786 Ca 0.58 0.92 -0.04 0.00 0.02 0.00 0.00 61.00 62.48 1ffu s PRO 786 Cb -0.13 -2.19 0.17 0.00 0.02 0.00 0.00 34.50 32.37 1ffu s PRO 786 CO 0.55 -0.17 2.24 0.72 -0.33 0.00 0.00 177.00 180.01 1ffu n HIS 787 N -1.27 2.63 -1.55 6.54 8.25 0.10 -4.81 115.22 125.11 1ffu n HIS 787 Ca 0.06 -2.74 -0.30 0.00 -0.26 0.00 0.00 57.72 54.48 1ffu n HIS 787 Cb 0.54 -1.66 0.07 0.00 1.12 0.00 0.00 29.99 30.07 1ffu n HIS 787 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1ffu s THR 788 N -2.05 3.52 0.44 1.59 -4.23 -1.20 -4.74 115.64 108.97 1ffu s THR 788 Ca 0.50 0.49 0.10 0.00 -1.18 0.00 0.00 61.69 61.60 1ffu s THR 788 Cb 0.19 -3.22 0.26 0.00 1.34 0.00 0.00 72.50 71.07 1ffu s THR 788 CO -0.11 -0.64 2.08 0.77 -0.54 0.00 0.00 174.62 176.18 1ffu h SER 789 N -0.93 0.33 -0.21 3.99 4.64 -1.86 -0.84 113.55 118.67 1ffu h SER 789 Ca -0.45 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1ffu h SER 789 Cb 1.24 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 1ffu h SER 789 CO 0.58 0.24 0.08 0.22 -0.87 0.00 0.00 176.83 177.09 1ffu h TYR 790 N 0.39 0.32 -0.10 4.77 3.20 -1.84 -0.97 116.97 122.73 1ffu h TYR 790 Ca 0.10 -0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.77 1ffu h TYR 790 Cb -0.03 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 1ffu h TYR 790 CO 0.00 0.36 -0.71 0.00 -1.64 0.00 0.00 178.16 176.17 1ffu h ARG 791 N 0.18 0.48 -0.20 1.82 3.08 -1.75 -2.38 114.38 115.61 1ffu h ARG 791 Ca 0.07 -0.37 -0.15 0.00 0.07 0.00 0.00 59.98 59.59 1ffu h ARG 791 Cb 0.17 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1ffu h ARG 791 CO -0.01 1.00 -0.50 0.28 -1.07 0.00 0.00 179.97 179.68 1ffu h VAL 792 N 0.33 1.32 -0.52 2.04 2.07 -1.13 -2.50 116.25 117.86 1ffu h VAL 792 Ca -0.03 -1.72 -0.10 0.00 0.82 0.00 0.00 66.70 65.68 1ffu h VAL 792 Cb 1.28 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 1ffu h VAL 792 CO 0.13 0.54 -0.06 -0.25 0.02 0.00 0.00 177.57 177.94 1ffu h TRP 793 N 0.43 1.01 -0.73 1.57 7.01 -1.14 0.14 115.95 124.24 1ffu h TRP 793 Ca 0.02 -0.18 0.06 0.00 2.11 0.00 0.00 58.89 60.90 1ffu h TRP 793 Cb 1.02 -0.26 -0.06 0.00 -2.10 0.00 0.00 29.16 27.77 1ffu h TRP 793 CO 0.04 0.94 0.43 -0.22 -2.79 0.00 0.00 178.44 176.84 1ffu h LYS 794 N 0.84 0.77 0.00 2.65 1.63 -1.18 -0.09 116.57 121.19 1ffu h LYS 794 Ca 0.14 -0.05 -0.14 0.00 -0.85 0.00 0.00 60.65 59.76 1ffu h LYS 794 Cb 0.58 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 32.01 1ffu h LYS 794 CO 0.04 0.51 -0.68 0.77 -3.45 0.00 0.00 179.45 176.64 1ffu h SER 795 N 0.80 0.00 -0.53 4.20 0.02 -1.01 -2.63 113.55 114.39 1ffu h SER 795 Ca 0.32 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.20 1ffu h SER 795 Cb 0.16 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1ffu h SER 795 CO -0.17 0.68 0.04 0.25 -1.14 0.00 0.00 176.83 176.48 1ffu h LEU 796 N 0.00 0.88 -0.45 5.07 5.85 0.52 -2.25 115.31 124.92 1ffu h LEU 796 Ca -0.01 -0.29 -0.17 0.00 0.84 0.00 0.00 57.88 58.26 1ffu h LEU 796 Cb 1.25 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 1ffu h LEU 796 CO 0.09 0.95 -0.57 0.50 -0.34 0.00 0.00 178.44 179.07 1ffu h LYS 797 N 0.78 0.62 -0.61 1.25 3.64 -1.03 0.32 116.57 121.54 1ffu h LYS 797 Ca 0.15 -0.40 -0.05 0.00 -1.27 0.00 0.00 60.65 59.08 1ffu h LYS 797 Cb 0.48 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 1ffu h LYS 797 CO 0.02 1.02 0.17 1.49 -2.27 0.00 0.00 179.45 179.88 1ffu h GLU 798 N 0.47 0.92 -0.67 1.90 4.81 -1.33 -2.71 114.58 117.98 1ffu h GLU 798 Ca 0.01 -0.18 -0.18 0.00 -0.13 0.00 0.00 59.36 58.87 1ffu h GLU 798 Cb 1.13 -0.14 -0.11 0.00 0.63 0.00 0.00 28.75 30.26 1ffu h GLU 798 CO 0.11 0.81 0.21 0.72 -0.73 0.00 0.00 179.01 180.12 1ffu n HIS 799 N -4.27 2.23 -3.38 0.92 8.25 -0.86 -4.95 115.22 113.16 1ffu n HIS 799 Ca 0.05 -1.16 -0.24 0.00 -0.26 0.00 0.00 57.72 56.10 1ffu n HIS 799 Cb 0.22 -0.63 0.01 0.00 1.12 0.00 0.00 29.99 30.70 1ffu n HIS 799 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1ffu n ASN 800 N -0.17 -4.36 -0.54 0.41 4.13 -1.02 -4.87 115.26 108.84 1ffu n ASN 800 Ca 0.38 -0.43 0.06 0.00 1.68 0.00 0.00 54.58 56.27 1ffu n ASN 800 Cb 1.32 -3.56 0.07 0.00 -1.54 0.00 0.00 39.78 36.07 1ffu n ASN 800 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1ffu n LEU 801 N -3.93 2.23 -4.73 3.41 4.77 0.11 -5.00 117.00 113.86 1ffu n LEU 801 Ca -0.03 -1.20 -0.42 0.00 -0.03 0.00 0.00 56.01 54.34 1ffu n LEU 801 Cb 0.55 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 1ffu n LEU 801 CO 0.54 0.45 1.03 0.00 -1.33 0.00 0.00 177.39 178.08 1ffu s ALA 802 N -1.02 3.56 0.00 -1.18 0.00 -0.98 -4.81 121.76 117.33 1ffu s ALA 802 Ca 0.17 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.24 1ffu s ALA 802 Cb 0.11 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1ffu s ALA 802 CO 0.16 -0.58 0.00 1.28 0.00 0.00 0.00 175.76 176.62