#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 0.20 -0.22 -1.67 0.00 -1.99 -2.06 119.26 113.52 1ffu h ALA 8 Ca 0.00 -0.91 -0.18 0.00 0.00 0.00 0.00 54.91 53.82 1ffu h ALA 8 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ffu h ALA 8 CO 0.00 1.08 -0.59 1.49 0.00 0.00 0.00 179.25 181.24 1ffu h GLU 9 N 0.05 0.71 -0.20 0.00 4.81 -2.01 -2.94 114.58 115.00 1ffu h GLU 9 Ca -0.10 -0.47 -0.09 0.00 -0.13 0.00 0.00 59.36 58.57 1ffu h GLU 9 Cb 1.90 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 31.35 1ffu h GLU 9 CO 0.18 1.10 -0.23 0.00 -0.73 0.00 0.00 179.01 179.32 1ffu h ALA 10 N 0.80 0.30 -0.67 2.92 0.00 -2.00 -2.70 119.26 117.91 1ffu h ALA 10 Ca 0.00 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.58 1ffu h ALA 10 Cb 1.17 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 1ffu h ALA 10 CO 0.12 0.27 0.40 0.00 0.00 0.00 0.00 179.25 180.03 1ffu h ARG 11 N 0.19 0.73 -0.49 0.00 3.08 -1.41 0.89 114.38 117.37 1ffu h ARG 11 Ca 0.03 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 1ffu h ARG 11 Cb 0.79 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 1ffu h ARG 11 CO 0.06 0.48 0.13 1.49 -1.07 0.00 0.00 179.97 181.06 1ffu h GLU 12 N 0.75 0.77 -0.83 0.04 4.81 -1.54 -2.68 114.58 115.89 1ffu h GLU 12 Ca 0.29 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1ffu h GLU 12 Cb 0.11 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 1ffu h GLU 12 CO -0.15 0.74 0.38 1.25 -0.73 0.00 0.00 179.01 180.51 1ffu h LEU 13 N 0.66 1.10 -1.48 1.64 6.46 -1.09 -2.06 115.31 120.53 1ffu h LEU 13 Ca 0.15 -0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1ffu h LEU 13 Cb 0.31 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 39.96 1ffu h LEU 13 CO -0.00 0.93 0.00 0.00 -0.62 0.00 0.00 178.44 178.75 1ffu h ALA 14 N 1.23 1.00 -0.02 1.25 0.00 -0.51 -2.29 119.26 119.92 1ffu h ALA 14 Ca 0.28 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.00 1ffu h ALA 14 Cb 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1ffu h ALA 14 CO -0.03 0.00 -0.84 -0.07 0.00 0.00 0.00 179.25 178.31 1ffu h LEU 15 N 0.00 0.35 -1.39 0.00 3.38 -1.11 -3.46 115.31 113.08 1ffu h LEU 15 Ca 0.00 -0.27 -0.39 0.00 0.09 0.00 0.00 57.88 57.31 1ffu h LEU 15 Cb 0.22 -0.11 0.10 0.00 0.09 0.00 0.00 40.66 40.97 1ffu h LEU 15 CO 0.00 1.04 -0.76 0.00 0.09 0.00 0.00 178.44 178.81 1ffu n ALA 16 N -2.49 -1.74 -1.81 1.53 0.00 -0.86 -1.38 120.51 113.76 1ffu n ALA 16 Ca -0.04 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1ffu n ALA 16 Cb 0.78 -3.36 0.00 0.00 0.00 0.00 0.00 19.45 16.86 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 -1.54 1.37 3.64 0.00 0.00 -1.26 -4.57 105.19 102.84 1ffu n GLY 17 Ca -0.17 -1.17 -0.51 0.00 0.00 0.00 0.00 46.02 44.17 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 1.55 0.00 1.61 2.81 -1.09 -2.08 117.12 119.91 1ffu n MET 18 Ca 0.00 0.56 0.00 0.00 -1.81 0.00 0.00 57.70 56.45 1ffu n MET 18 Cb 0.00 -2.27 0.00 0.00 -0.71 0.00 0.00 33.22 30.24 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 3.28 2.17 3.76 3.03 0.00 0.54 -5.04 105.19 112.93 1ffu n GLY 19 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.32 3.28 -0.52 4.61 0.00 -0.88 -4.61 121.76 121.33 1ffu s ALA 20 Ca 0.00 0.59 -0.03 0.00 0.00 0.00 0.00 51.96 52.52 1ffu s ALA 20 Cb 0.00 -3.20 0.20 0.00 0.00 0.00 0.00 23.12 20.12 1ffu s ALA 20 CO 0.00 0.18 2.35 0.43 0.00 0.00 0.00 175.76 178.73 1ffu n SER 21 N 1.08 6.84 -4.76 0.00 7.64 -1.26 -4.30 113.62 118.86 1ffu n SER 21 Ca -0.00 -3.37 -0.38 0.00 1.01 0.00 0.00 58.87 56.13 1ffu n SER 21 Cb 0.48 -1.13 0.02 0.00 -1.01 0.00 0.00 64.21 62.58 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 -2.46 3.39 0.85 1.43 1.70 -1.26 -4.85 118.95 117.75 1ffu s ARG 22 Ca 0.52 2.04 -0.11 0.00 -0.47 0.00 0.00 55.73 57.70 1ffu s ARG 22 Cb 0.38 -2.31 0.10 0.00 -0.57 0.00 0.00 34.95 32.55 1ffu s ARG 22 CO -0.17 -0.93 1.09 -0.51 -1.08 0.00 0.00 175.30 173.70 1ffu s LEU 23 N -3.33 2.60 0.34 -1.89 1.43 -1.26 -4.92 118.68 111.66 1ffu s LEU 23 Ca 0.68 1.68 -0.27 0.00 -1.03 0.00 0.00 54.13 55.20 1ffu s LEU 23 Cb -0.35 -4.21 -0.09 0.00 0.03 0.00 0.00 46.19 41.56 1ffu s LEU 23 CO 0.42 -2.44 1.13 -0.13 0.23 0.00 0.00 176.35 175.56 1ffu s ARG 24 N -4.89 4.35 0.26 1.70 0.52 -1.26 -4.96 118.95 114.67 1ffu s ARG 24 Ca 0.63 1.79 0.16 0.00 -0.52 0.00 0.00 55.73 57.79 1ffu s ARG 24 Cb -0.18 -2.90 0.05 0.00 0.52 0.00 0.00 34.95 32.44 1ffu s ARG 24 CO 0.57 -0.05 1.36 0.87 0.02 0.00 0.00 175.30 178.07 1ffu h LYS 25 N 3.17 0.00 -0.20 3.54 1.57 -1.94 -3.33 116.57 119.39 1ffu h LYS 25 Ca -0.48 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.18 1ffu h LYS 25 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 1ffu h LYS 25 CO 0.65 0.43 -0.39 0.93 -0.57 0.00 0.00 179.45 180.49 1ffu h GLU 26 N 0.00 0.45 -0.74 3.15 3.07 -1.92 -3.36 114.58 115.23 1ffu h GLU 26 Ca -0.02 -0.22 0.16 0.00 -0.50 0.00 0.00 59.36 58.78 1ffu h GLU 26 Cb 1.38 -0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 29.17 1ffu h GLU 26 CO 0.06 0.77 0.13 -0.44 -1.40 0.00 0.00 179.01 178.13 1ffu h ASP 27 N 0.38 -0.09 -0.86 1.42 5.19 -1.99 -3.14 116.42 117.32 1ffu h ASP 27 Ca 0.04 0.16 0.16 0.00 -0.62 0.00 0.00 57.03 56.77 1ffu h ASP 27 Cb 0.86 0.24 -0.16 0.00 0.18 0.00 0.00 39.33 40.45 1ffu h ASP 27 CO 0.07 -0.08 -0.26 0.00 -3.12 0.00 0.00 179.24 175.85 1ffu h ALA 28 N 1.64 0.45 -0.09 3.45 0.00 -1.83 0.34 119.26 123.21 1ffu h ALA 28 Ca 0.41 0.31 -0.23 0.00 0.00 0.00 0.00 54.91 55.41 1ffu h ALA 28 Cb 0.72 0.73 0.01 0.00 0.00 0.00 0.00 17.79 19.26 1ffu h ALA 28 CO -0.55 -0.46 -0.83 0.07 0.00 0.00 0.00 179.25 177.47 1ffu h ARG 29 N -0.02 0.72 -0.32 0.00 0.11 -1.84 -3.27 114.38 109.77 1ffu h ARG 29 Ca 0.39 -0.66 -0.08 0.00 0.10 0.00 0.00 59.98 59.73 1ffu h ARG 29 Cb 0.62 0.16 -0.02 0.00 1.11 0.00 0.00 29.97 31.85 1ffu h ARG 29 CO -0.89 1.26 -0.15 0.74 0.10 0.00 0.00 179.97 181.03 1ffu h PHE 30 N 0.42 0.61 -0.00 4.08 0.04 -1.38 0.31 116.94 121.02 1ffu h PHE 30 Ca -0.08 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.59 1ffu h PHE 30 Cb 1.48 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 39.47 1ffu h PHE 30 CO 0.10 0.68 -0.00 0.44 -0.60 0.00 0.00 178.31 178.93 1ffu n ILE 31 N -4.18 0.00 -0.14 -0.55 -5.35 0.03 -3.03 119.36 106.15 1ffu n ILE 31 Ca 0.01 -0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.51 1ffu n ILE 31 Cb 0.35 -0.50 0.05 0.00 -1.74 0.00 0.00 39.64 37.81 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 -1.36 2.86 -1.30 6.28 6.02 -1.09 -4.98 117.38 123.81 1ffu n GLN 32 Ca 0.12 -1.74 -0.10 0.00 -0.01 0.00 0.00 57.00 55.27 1ffu n GLN 32 Cb 0.28 -1.12 -0.04 0.00 1.02 0.00 0.00 30.24 30.37 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 -0.29 1.13 1.93 1.08 0.00 -0.99 -4.92 105.19 103.12 1ffu n GLY 33 Ca 0.05 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.70 2.91 -1.74 1.61 4.76 0.11 -4.96 118.16 118.14 1ffu n LYS 34 Ca -0.10 -3.07 -0.30 0.00 -2.87 0.00 0.00 58.31 51.97 1ffu n LYS 34 Cb 0.33 -2.14 0.06 0.00 -1.84 0.00 0.00 35.03 31.44 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 -1.38 1.63 -0.44 0.72 0.00 -1.21 -4.77 107.32 101.88 1ffu s GLY 35 Ca 0.54 -0.22 0.02 0.00 0.00 0.00 0.00 44.72 45.06 1ffu s GLY 35 CO 0.11 0.15 0.21 0.21 0.00 0.00 0.00 173.10 173.77 1ffu s ASN 36 N -4.13 3.97 0.26 1.64 2.47 -1.26 -5.04 114.94 112.85 1ffu s ASN 36 Ca 0.59 -2.57 0.05 0.00 0.42 0.00 0.00 52.86 51.35 1ffu s ASN 36 Cb -0.12 -1.23 -0.03 0.00 -1.45 0.00 0.00 41.25 38.42 1ffu s ASN 36 CO 0.53 -0.29 0.38 -0.31 -3.72 0.00 0.00 177.10 173.70 1ffu s TYR 37 N 0.38 3.40 0.25 0.43 2.02 -1.26 -0.95 117.35 121.63 1ffu s TYR 37 Ca 0.16 -0.04 -0.09 0.00 -0.37 0.00 0.00 57.07 56.73 1ffu s TYR 37 Cb -0.24 -1.64 0.39 0.00 -0.40 0.00 0.00 41.96 40.08 1ffu s TYR 37 CO -0.03 0.37 1.60 0.28 -1.57 0.00 0.00 175.55 176.20 1ffu h VAL 38 N 1.12 0.21 0.00 0.71 2.07 -1.94 0.24 116.25 118.66 1ffu h VAL 38 Ca -0.51 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1ffu h VAL 38 Cb 1.23 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1ffu h VAL 38 CO 0.60 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 177.52 1ffu n ASP 39 N -5.49 0.00 0.06 0.57 2.03 -1.26 -1.63 116.55 110.83 1ffu n ASP 39 Ca 0.13 -0.12 0.12 0.00 0.52 0.00 0.00 54.79 55.44 1ffu n ASP 39 Cb 0.45 -0.23 0.22 0.00 -0.72 0.00 0.00 41.12 40.84 1ffu n ASP 39 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ffu n ASP 40 N -1.23 0.67 -4.70 1.67 8.00 0.85 -4.88 116.55 116.93 1ffu n ASP 40 Ca 0.10 0.15 -0.42 0.00 0.71 0.00 0.00 54.79 55.34 1ffu n ASP 40 Cb 0.14 0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 1ffu n ASP 40 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ffu s ILE 41 N -3.14 4.17 -0.06 0.53 1.01 -0.65 -5.00 121.20 118.07 1ffu s ILE 41 Ca 0.07 1.54 0.01 0.00 0.00 0.00 0.00 60.65 62.28 1ffu s ILE 41 Cb 0.14 -3.99 0.02 0.00 0.01 0.00 0.00 42.46 38.64 1ffu s ILE 41 CO 0.70 0.07 -0.08 -0.54 0.00 0.00 0.00 174.94 175.09 1ffu s LYS 42 N 1.51 1.29 0.17 2.79 1.02 -1.26 -5.09 119.74 120.17 1ffu s LYS 42 Ca 0.57 -0.25 0.08 0.00 0.02 0.00 0.00 55.97 56.39 1ffu s LYS 42 Cb -0.27 -1.18 -0.04 0.00 -0.52 0.00 0.00 37.83 35.81 1ffu s LYS 42 CO 0.26 -0.06 -0.17 -1.64 -0.92 0.00 0.00 175.35 172.82 1ffu s MET 43 N 0.94 1.28 0.16 1.68 -1.94 -1.26 -5.08 119.30 115.09 1ffu s MET 43 Ca -0.10 -1.44 -0.33 0.00 -1.71 0.00 0.00 55.69 52.11 1ffu s MET 43 Cb -0.15 -1.27 -0.13 0.00 2.01 0.00 0.00 34.83 35.29 1ffu s MET 43 CO 0.01 0.25 1.68 -2.30 -0.01 0.00 0.00 175.02 174.64 1ffu n PRO 44 N 0.15 2.47 -1.14 2.03 -0.02 -1.26 -1.79 135.00 135.44 1ffu n PRO 44 Ca -0.12 0.89 -0.05 0.00 -2.02 0.00 0.00 63.50 62.20 1ffu n PRO 44 Cb 0.58 -2.71 -0.02 0.00 -0.02 0.00 0.00 33.50 31.33 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 3.77 0.69 3.70 -1.23 0.00 -1.26 -4.60 105.19 106.26 1ffu n GLY 45 Ca 0.17 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.85 4.23 0.37 1.61 0.00 -0.74 -4.33 119.30 118.60 1ffu s MET 46 Ca 0.00 2.25 0.07 0.00 0.00 0.00 0.00 55.69 58.02 1ffu s MET 46 Cb 0.00 -3.40 -0.02 0.00 0.00 0.00 0.00 34.83 31.41 1ffu s MET 46 CO 0.00 -0.63 0.38 -0.51 0.00 0.00 0.00 175.02 174.26 1ffu s LEU 47 N 1.89 3.58 -0.05 4.11 1.43 0.99 -4.93 118.68 125.68 1ffu s LEU 47 Ca 0.70 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 53.31 1ffu s LEU 47 Cb -0.40 -2.27 -0.02 0.00 0.03 0.00 0.00 46.19 43.53 1ffu s LEU 47 CO 0.31 -0.52 -0.19 -2.28 0.23 0.00 0.00 176.35 173.90 1ffu s HIS 48 N -2.35 2.58 -0.07 0.29 2.46 0.15 -0.66 115.29 117.69 1ffu s HIS 48 Ca 0.46 -0.40 0.02 0.00 0.47 0.00 0.00 55.06 55.61 1ffu s HIS 48 Cb -0.06 -1.62 -0.02 0.00 -0.13 0.00 0.00 32.58 30.75 1ffu s HIS 48 CO 0.28 0.00 -0.13 1.41 -2.47 0.00 0.00 174.74 173.84 1ffu s MET 49 N -0.45 2.74 0.08 2.88 1.75 -0.09 -0.07 119.30 126.14 1ffu s MET 49 Ca 0.05 -0.67 0.04 0.00 -1.25 0.00 0.00 55.69 53.87 1ffu s MET 49 Cb -0.12 -2.47 -0.03 0.00 2.84 0.00 0.00 34.83 35.05 1ffu s MET 49 CO 0.01 0.54 -0.12 0.34 -0.65 0.00 0.00 175.02 175.15 1ffu s ASP 50 N -0.51 1.50 -0.12 1.11 -1.08 -0.56 -4.60 116.67 112.40 1ffu s ASP 50 Ca 0.07 -0.69 -0.03 0.00 -0.52 0.00 0.00 52.55 51.38 1ffu s ASP 50 Cb -0.12 -0.02 -0.03 0.00 -1.46 0.00 0.00 42.92 41.29 1ffu s ASP 50 CO 0.02 -0.17 -0.02 -0.63 0.52 0.00 0.00 175.17 174.89 1ffu s ILE 51 N -1.76 4.11 -0.29 4.11 1.01 -1.26 -0.98 121.20 126.14 1ffu s ILE 51 Ca 0.00 -0.30 -0.25 0.00 0.00 0.00 0.00 60.65 60.10 1ffu s ILE 51 Cb -0.07 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.63 1ffu s ILE 51 CO 0.01 0.54 0.86 -0.69 0.00 0.00 0.00 174.94 175.66 1ffu s VAL 52 N -0.20 4.75 0.18 2.92 1.01 0.29 -4.96 120.40 124.38 1ffu s VAL 52 Ca 0.05 1.40 0.07 0.00 0.00 0.00 0.00 61.98 63.50 1ffu s VAL 52 Cb -0.13 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1ffu s VAL 52 CO 0.02 -0.25 0.05 -0.13 0.00 0.00 0.00 175.10 174.80 1ffu s ARG 53 N 3.07 2.59 0.04 2.72 0.52 -1.26 -0.79 118.95 125.84 1ffu s ARG 53 Ca 0.36 -1.03 -0.30 0.00 -0.52 0.00 0.00 55.73 54.23 1ffu s ARG 53 Cb -0.14 -2.46 -0.07 0.00 0.52 0.00 0.00 34.95 32.80 1ffu s ARG 53 CO 0.12 0.46 1.52 0.00 0.02 0.00 0.00 175.30 177.41 1ffu s ALA 54 N -1.77 3.63 -0.55 2.13 0.00 -0.22 -4.82 121.76 120.16 1ffu s ALA 54 Ca 0.29 1.05 0.24 0.00 0.00 0.00 0.00 51.96 53.54 1ffu s ALA 54 Cb -0.09 -3.64 0.49 0.00 0.00 0.00 0.00 23.12 19.88 1ffu s ALA 54 CO 0.20 -0.98 1.62 -1.00 0.00 0.00 0.00 175.76 175.60 1ffu h PRO 55 N 7.98 0.00 -6.02 0.00 0.13 -1.93 0.53 132.00 132.69 1ffu h PRO 55 Ca -0.40 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.17 1ffu h PRO 55 Cb 1.19 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 1ffu h PRO 55 CO 0.91 0.00 -0.54 0.96 -0.23 0.00 0.00 178.00 179.11 1ffu s ILE 56 N -3.18 2.71 -0.03 -3.56 -4.36 -1.26 -4.88 121.20 106.65 1ffu s ILE 56 Ca 0.08 -1.74 0.09 0.00 -0.26 0.00 0.00 60.65 58.82 1ffu s ILE 56 Cb 0.09 -2.95 -0.23 0.00 1.25 0.00 0.00 42.46 40.62 1ffu s ILE 56 CO 0.65 -0.13 0.72 0.00 0.24 0.00 0.00 174.94 176.42 1ffu h ALA 57 N 1.55 0.67 -2.41 2.27 0.00 -1.85 -3.18 119.26 116.32 1ffu h ALA 57 Ca -0.43 -1.38 -0.06 0.00 0.00 0.00 0.00 54.91 53.03 1ffu h ALA 57 Cb 1.25 0.43 -0.25 0.00 0.00 0.00 0.00 17.79 19.22 1ffu h ALA 57 CO 0.66 1.50 -0.22 -1.58 0.00 0.00 0.00 179.25 179.61 1ffu s HIS 58 N -2.61 -0.82 0.00 0.00 5.65 -1.26 -1.84 115.29 114.42 1ffu s HIS 58 Ca -0.06 1.63 0.00 0.00 0.25 0.00 0.00 55.06 56.88 1ffu s HIS 58 Cb 0.08 0.41 0.00 0.00 -1.18 0.00 0.00 32.58 31.89 1ffu s HIS 58 CO 0.82 -0.44 0.00 0.41 -0.65 0.00 0.00 174.74 174.88 1ffu n GLY 59 N 4.62 1.46 3.81 1.59 0.00 -1.12 -0.77 105.19 114.79 1ffu n GLY 59 Ca -0.18 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 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 4.27 -0.50 1.61 0.52 -0.13 -0.73 118.95 121.99 1ffu s ARG 60 Ca 0.00 0.91 -0.21 0.00 -0.52 0.00 0.00 55.73 55.92 1ffu s ARG 60 Cb 0.00 -2.80 0.05 0.00 0.52 0.00 0.00 34.95 32.71 1ffu s ARG 60 CO 0.00 0.34 0.69 0.42 0.02 0.00 0.00 175.30 176.77 1ffu s ILE 61 N -1.60 4.77 -0.05 1.52 1.01 -0.70 -0.88 121.20 125.26 1ffu s ILE 61 Ca 0.46 -0.18 -0.25 0.00 0.00 0.00 0.00 60.65 60.68 1ffu s ILE 61 Cb -0.16 -4.32 -0.20 0.00 0.01 0.00 0.00 42.46 37.79 1ffu s ILE 61 CO 0.21 -0.81 1.06 0.11 0.00 0.00 0.00 174.94 175.50 1ffu h LYS 62 N 9.02 -0.07 -1.89 2.79 1.57 -1.55 -3.47 116.57 122.97 1ffu h LYS 62 Ca -0.27 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 1ffu h LYS 62 Cb 1.09 0.02 -0.20 0.00 0.08 0.00 0.00 32.23 33.21 1ffu h LYS 62 CO 0.97 0.48 0.27 0.21 -0.57 0.00 0.00 179.45 180.81 1ffu s LYS 63 N -3.64 0.91 -0.11 3.15 2.20 -1.20 -5.02 119.74 116.02 1ffu s LYS 63 Ca -0.15 0.35 0.03 0.00 -0.36 0.00 0.00 55.97 55.84 1ffu s LYS 63 Cb 0.00 0.43 0.00 0.00 -1.51 0.00 0.00 37.83 36.76 1ffu s LYS 63 CO 0.61 -0.26 -0.23 0.42 -0.36 0.00 0.00 175.35 175.54 1ffu s ILE 64 N -0.89 2.11 -0.33 5.43 1.01 -1.26 -1.36 121.20 125.90 1ffu s ILE 64 Ca -0.07 -0.99 -0.12 0.00 0.00 0.00 0.00 60.65 59.47 1ffu s ILE 64 Cb -0.01 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.63 1ffu s ILE 64 CO 0.06 0.56 0.23 -1.00 0.00 0.00 0.00 174.94 174.79 1ffu s HIS 65 N 0.47 3.22 -0.03 3.97 3.76 -0.15 -4.95 115.29 121.59 1ffu s HIS 65 Ca -0.15 -0.25 0.17 0.00 -0.15 0.00 0.00 55.06 54.68 1ffu s HIS 65 Cb -0.17 -2.46 -0.27 0.00 1.11 0.00 0.00 32.58 30.79 1ffu s HIS 65 CO 0.06 -0.37 0.38 1.63 -0.85 0.00 0.00 174.74 175.59 1ffu n LYS 66 N 5.09 0.53 -0.12 1.40 5.02 -1.26 -3.52 118.16 125.30 1ffu n LYS 66 Ca -0.13 -0.16 -0.05 0.00 -2.02 0.00 0.00 58.31 55.96 1ffu n LYS 66 Cb 0.50 -1.41 0.02 0.00 -0.02 0.00 0.00 35.03 34.11 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 -0.38 -0.46 4.39 3.32 -1.94 0.17 116.42 121.51 1ffu h ASP 67 Ca -0.00 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1ffu h ASP 67 Cb 0.81 0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 1ffu h ASP 67 CO 0.00 -0.13 0.27 0.00 -1.72 0.00 0.00 179.24 177.66 1ffu h ALA 68 N 1.41 0.59 -0.31 3.45 0.00 -1.84 -1.54 119.26 121.01 1ffu h ALA 68 Ca 0.20 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1ffu h ALA 68 Cb 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1ffu h ALA 68 CO -0.42 0.09 0.07 0.00 0.00 0.00 0.00 179.25 178.99 1ffu h ALA 69 N 1.12 0.41 -0.47 0.00 0.00 -1.68 -2.93 119.26 115.71 1ffu h ALA 69 Ca 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ffu h ALA 69 Cb 0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1ffu h ALA 69 CO -0.03 0.09 0.26 -0.07 0.00 0.00 0.00 179.25 179.50 1ffu h LEU 70 N 0.35 0.57 -0.50 0.00 3.38 -0.77 -2.45 115.31 115.88 1ffu h LEU 70 Ca 0.10 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1ffu h LEU 70 Cb 0.31 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1ffu h LEU 70 CO 0.00 0.46 0.00 0.00 0.09 0.00 0.00 178.44 178.99 1ffu h ALA 71 N 1.64 1.00 -2.62 1.53 0.00 -1.17 -3.45 119.26 116.19 1ffu h ALA 71 Ca 0.17 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.56 1ffu h ALA 71 Cb 0.01 0.00 0.05 0.00 0.00 0.00 0.00 17.79 17.85 1ffu h ALA 71 CO -0.03 0.00 0.95 1.41 0.00 0.00 0.00 179.25 181.58 1ffu s MET 72 N -3.34 4.17 0.15 0.00 0.00 -0.93 -4.93 119.30 114.43 1ffu s MET 72 Ca 0.06 2.48 -0.31 0.00 0.00 0.00 0.00 55.69 57.91 1ffu s MET 72 Cb 0.08 -3.16 -0.09 0.00 0.00 0.00 0.00 34.83 31.66 1ffu s MET 72 CO 0.59 -0.69 1.49 -1.25 0.00 0.00 0.00 175.02 175.16 1ffu s PRO 73 N 1.29 4.26 0.00 4.11 0.04 -1.26 -2.44 135.00 141.00 1ffu s PRO 73 Ca 0.73 2.24 0.00 0.00 0.04 0.00 0.00 61.00 64.01 1ffu s PRO 73 Cb -0.46 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 30.89 1ffu s PRO 73 CO 0.32 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.24 1ffu n GLY 74 N 3.53 1.53 3.72 0.56 0.00 -1.26 -5.00 105.19 108.27 1ffu n GLY 74 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.33 5.14 -0.20 1.61 1.01 -1.02 -1.47 120.40 123.14 1ffu s VAL 75 Ca 0.00 1.10 0.17 0.00 0.00 0.00 0.00 61.98 63.25 1ffu s VAL 75 Cb 0.00 -3.88 -0.24 0.00 0.00 0.00 0.00 36.38 32.26 1ffu s VAL 75 CO 0.00 0.31 0.06 1.41 0.00 0.00 0.00 175.10 176.88 1ffu n HIS 76 N 3.66 0.00 -3.53 5.22 8.25 0.34 -4.92 115.22 124.25 1ffu n HIS 76 Ca -0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.31 1ffu n HIS 76 Cb 0.52 -0.98 -0.04 0.00 1.12 0.00 0.00 29.99 30.61 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 -2.48 -1.86 -0.11 -1.41 0.00 -1.22 -5.01 121.76 109.68 1ffu s ALA 77 Ca -0.10 1.26 -0.01 0.00 0.00 0.00 0.00 51.96 53.10 1ffu s ALA 77 Cb 0.06 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.17 1ffu s ALA 77 CO 0.80 -0.52 -0.02 0.08 0.00 0.00 0.00 175.76 176.10 1ffu s VAL 78 N -2.20 0.65 0.17 0.00 1.01 -1.26 -1.37 120.40 117.40 1ffu s VAL 78 Ca 0.01 -0.14 0.09 0.00 0.00 0.00 0.00 61.98 61.94 1ffu s VAL 78 Cb -0.01 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1ffu s VAL 78 CO -0.03 0.23 -0.12 -0.76 0.00 0.00 0.00 175.10 174.42 1ffu s LEU 79 N 1.85 2.88 0.00 3.92 1.43 0.02 -4.97 118.68 123.81 1ffu s LEU 79 Ca 0.04 -0.60 0.01 0.00 -1.03 0.00 0.00 54.13 52.56 1ffu s LEU 79 Cb -0.13 -1.60 -0.00 0.00 0.03 0.00 0.00 46.19 44.49 1ffu s LEU 79 CO -0.07 0.12 0.04 0.35 0.23 0.00 0.00 176.35 177.03 1ffu n THR 80 N 0.20 0.00 0.28 5.49 -2.24 -1.26 -1.20 114.28 115.55 1ffu n THR 80 Ca -0.12 -0.57 0.16 0.00 -2.27 0.00 0.00 64.05 61.25 1ffu n THR 80 Cb 0.55 0.23 0.83 0.00 -2.10 0.00 0.00 70.33 69.84 1ffu n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ffu h ALA 81 N 1.19 1.15 -0.21 6.98 0.00 -1.79 -2.42 119.26 124.17 1ffu h ALA 81 Ca -0.07 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1ffu h ALA 81 Cb 0.29 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ffu h ALA 81 CO 0.11 0.08 -0.16 0.93 0.00 0.00 0.00 179.25 180.21 1ffu h GLU 82 N 0.00 0.35 0.00 0.00 4.39 -1.95 -1.29 114.58 116.08 1ffu h GLU 82 Ca -0.00 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1ffu h GLU 82 Cb 0.31 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1ffu h GLU 82 CO 0.01 0.51 -0.11 -0.25 -1.16 0.00 0.00 179.01 178.01 1ffu n ASP 83 N -4.21 0.27 -0.00 1.42 8.00 -0.91 -3.62 116.55 117.49 1ffu n ASP 83 Ca -0.00 0.37 0.06 0.00 0.71 0.00 0.00 54.79 55.93 1ffu n ASP 83 Cb 0.32 -0.40 -0.13 0.00 -0.02 0.00 0.00 41.12 40.89 1ffu n ASP 83 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ffu n LEU 84 N -1.67 0.26 -0.06 0.64 4.32 -0.67 -4.52 117.00 115.30 1ffu n LEU 84 Ca 0.06 0.11 -0.09 0.00 -0.02 0.00 0.00 56.01 56.07 1ffu n LEU 84 Cb 0.36 0.09 -0.02 0.00 -1.62 0.00 0.00 43.42 42.23 1ffu n LEU 84 CO 0.29 0.08 0.93 0.11 -1.22 0.00 0.00 177.39 177.58 1ffu h LYS 85 N 0.00 0.21 0.00 3.23 1.57 -1.34 -0.92 116.57 119.33 1ffu h LYS 85 Ca -0.12 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1ffu h LYS 85 Cb 1.30 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1ffu h LYS 85 CO 0.01 0.14 0.16 -1.35 -0.57 0.00 0.00 179.45 177.84 1ffu h PRO 86 N 0.22 0.00 -0.20 3.15 0.11 -1.79 0.19 132.00 133.68 1ffu h PRO 86 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1ffu h PRO 86 Cb 0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.16 1ffu h PRO 86 CO -0.09 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.98 1ffu n LEU 87 N -2.96 2.72 -3.76 2.35 4.77 -0.95 -4.97 117.00 114.20 1ffu n LEU 87 Ca -0.02 -1.38 -0.27 0.00 -0.03 0.00 0.00 56.01 54.31 1ffu n LEU 87 Cb 0.21 -0.13 0.05 0.00 -2.33 0.00 0.00 43.42 41.23 1ffu n LEU 87 CO 0.17 0.58 0.16 0.29 -1.33 0.00 0.00 177.39 177.25 1ffu n LYS 88 N 0.93 -6.61 -0.01 3.23 5.02 0.67 -4.92 118.16 116.46 1ffu n LYS 88 Ca 0.12 0.71 0.01 0.00 -2.02 0.00 0.00 58.31 57.13 1ffu n LYS 88 Cb 0.44 -5.66 0.02 0.00 -0.02 0.00 0.00 35.03 29.80 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 -4.80 1.66 0.15 -0.35 4.77 -0.39 -4.59 117.00 113.45 1ffu n LEU 89 Ca 0.01 -1.52 0.12 0.00 -0.03 0.00 0.00 56.01 54.59 1ffu n LEU 89 Cb 0.55 -0.02 0.52 0.00 -2.33 0.00 0.00 43.42 42.14 1ffu n LEU 89 CO 0.70 0.41 0.86 1.12 -1.33 0.00 0.00 177.39 179.15 1ffu h HIS 90 N 0.33 0.00 -3.88 -1.77 2.07 -1.85 -3.42 115.15 106.63 1ffu h HIS 90 Ca 0.00 0.00 -0.38 0.00 -2.85 0.00 0.00 60.37 57.14 1ffu h HIS 90 Cb 0.31 0.00 -0.21 0.00 2.57 0.00 0.00 27.41 30.09 1ffu h HIS 90 CO 0.02 0.00 -0.76 -1.58 -3.07 0.00 0.00 177.93 172.53 1ffu s TRP 91 N -3.38 1.14 0.02 6.12 0.52 -1.26 -0.19 118.94 121.91 1ffu s TRP 91 Ca 0.03 -0.50 -0.04 0.00 0.02 0.00 0.00 56.10 55.61 1ffu s TRP 91 Cb 0.09 -0.64 -0.01 0.00 -1.15 0.00 0.00 33.47 31.76 1ffu s TRP 91 CO 0.37 0.04 0.05 0.00 0.02 0.00 0.00 176.95 177.43 1ffu s MET 92 N -1.96 0.45 0.41 4.98 0.23 -0.19 -4.85 119.30 118.37 1ffu s MET 92 Ca -0.01 -0.63 -0.24 0.00 -1.03 0.00 0.00 55.69 53.78 1ffu s MET 92 Cb -0.09 0.17 -0.09 0.00 -1.53 0.00 0.00 34.83 33.30 1ffu s MET 92 CO 0.02 -0.10 1.10 -1.25 -2.03 0.00 0.00 175.02 172.76 1ffu s PRO 93 N -1.91 4.07 0.33 3.16 0.04 -1.26 -0.56 135.00 138.86 1ffu s PRO 93 Ca -0.11 1.65 0.08 0.00 0.04 0.00 0.00 61.00 62.66 1ffu s PRO 93 Cb -0.06 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.88 1ffu s PRO 93 CO -0.02 -0.25 0.11 0.95 0.04 0.00 0.00 177.00 177.83 1ffu s THR 94 N -1.57 2.99 0.41 1.26 -4.23 -0.54 -4.85 115.64 109.12 1ffu s THR 94 Ca 0.58 -1.76 0.29 0.00 -1.18 0.00 0.00 61.69 59.63 1ffu s THR 94 Cb -0.26 -2.94 0.31 0.00 1.34 0.00 0.00 72.50 70.95 1ffu s THR 94 CO 0.32 -0.20 2.08 -0.07 -0.54 0.00 0.00 174.62 176.21 1ffu h LEU 95 N 1.61 0.00 0.00 4.79 3.38 -1.86 -2.14 115.31 121.09 1ffu h LEU 95 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 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 0.64 0.10 0.00 0.00 0.09 0.00 0.00 178.44 179.27 1ffu n ALA 96 N -2.26 2.31 -0.26 1.53 0.00 -1.25 -4.68 120.51 115.90 1ffu n ALA 96 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1ffu n ALA 96 Cb 0.23 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 1.12 0.77 2.36 0.00 0.00 -0.81 -4.89 105.19 103.76 1ffu n GLY 97 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 1.19 -4.40 1.61 2.03 -1.26 -4.69 116.55 111.04 1ffu n ASP 98 Ca 0.00 -1.89 -0.29 0.00 0.52 0.00 0.00 54.79 53.13 1ffu n ASP 98 Cb 0.00 -0.28 -0.13 0.00 -0.72 0.00 0.00 41.12 39.99 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 -1.28 2.34 0.03 5.18 -7.23 -1.26 -1.47 120.40 116.70 1ffu s VAL 99 Ca 0.37 -1.70 0.06 0.00 -1.81 0.00 0.00 61.98 58.90 1ffu s VAL 99 Cb -0.03 -2.03 -0.02 0.00 0.56 0.00 0.00 36.38 34.86 1ffu s VAL 99 CO 0.24 0.11 -0.17 0.00 -0.31 0.00 0.00 175.10 174.97 1ffu s ALA 100 N -1.05 1.43 0.07 1.32 0.00 0.27 -4.61 121.76 119.19 1ffu s ALA 100 Ca 0.14 -0.87 -0.31 0.00 0.00 0.00 0.00 51.96 50.93 1ffu s ALA 100 Cb -0.10 -0.28 -0.06 0.00 0.00 0.00 0.00 23.12 22.67 1ffu s ALA 100 CO 0.06 0.31 1.29 0.00 0.00 0.00 0.00 175.76 177.43 1ffu s ALA 101 N -0.69 3.49 -0.07 0.00 0.00 -1.26 -1.03 121.76 122.20 1ffu s ALA 101 Ca 0.05 0.94 -0.19 0.00 0.00 0.00 0.00 51.96 52.76 1ffu s ALA 101 Cb -0.08 -3.50 -0.30 0.00 0.00 0.00 0.00 23.12 19.25 1ffu s ALA 101 CO 0.01 -0.56 0.75 0.28 0.00 0.00 0.00 175.76 176.23 1ffu h VAL 102 N 4.48 1.30 -3.55 0.00 2.07 -0.82 -3.45 116.25 116.27 1ffu h VAL 102 Ca -0.41 -2.48 -0.29 0.00 0.82 0.00 0.00 66.70 64.33 1ffu h VAL 102 Cb 1.21 2.98 -0.33 0.00 -1.52 0.00 0.00 31.29 33.63 1ffu h VAL 102 CO 0.84 0.71 -0.73 -0.76 0.02 0.00 0.00 177.57 177.65 1ffu s LEU 103 N -7.73 1.23 -0.01 2.57 1.43 -1.22 -4.72 118.68 110.23 1ffu s LEU 103 Ca -0.16 0.03 -0.33 0.00 -1.03 0.00 0.00 54.13 52.63 1ffu s LEU 103 Cb 0.02 -0.07 -0.12 0.00 0.03 0.00 0.00 46.19 46.05 1ffu s LEU 103 CO 0.81 -0.11 1.84 0.00 0.23 0.00 0.00 176.35 179.12 1ffu n ALA 104 N 4.01 1.19 -1.43 4.21 0.00 0.80 -4.67 120.51 124.61 1ffu n ALA 104 Ca -0.25 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1ffu n ALA 104 Cb 0.52 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.45 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 6.14 0.00 0.15 0.00 2.03 -1.26 -4.49 116.55 119.13 1ffu n ASP 105 Ca 0.21 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.60 1ffu n ASP 105 Cb 0.32 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.79 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 -3.07 -0.67 5.08 -1.92 -3.43 114.58 110.57 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 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 1ffu h GLU 106 CO 0.00 0.15 0.19 -1.59 -1.00 0.00 0.00 179.01 176.76 1ffu s LYS 107 N -3.16 1.72 -0.09 2.33 -2.85 -1.26 -1.72 119.74 114.71 1ffu s LYS 107 Ca 0.03 -0.97 0.00 0.00 -1.00 0.00 0.00 55.97 54.03 1ffu s LYS 107 Cb 0.07 0.59 -0.03 0.00 -2.06 0.00 0.00 37.83 36.41 1ffu s LYS 107 CO 0.73 -0.78 -0.09 0.14 0.10 0.00 0.00 175.35 175.45 1ffu s VAL 108 N -3.92 3.50 -0.43 1.79 -7.23 0.09 -4.74 120.40 109.46 1ffu s VAL 108 Ca 0.11 -0.53 0.21 0.00 -1.81 0.00 0.00 61.98 59.96 1ffu s VAL 108 Cb -0.05 -2.45 -0.29 0.00 0.56 0.00 0.00 36.38 34.16 1ffu s VAL 108 CO 0.05 0.56 0.64 1.41 -0.31 0.00 0.00 175.10 177.46 1ffu n HIS 109 N 2.74 0.00 -3.58 2.82 -0.00 -1.26 -2.77 115.22 113.17 1ffu n HIS 109 Ca -0.18 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.38 1ffu n HIS 109 Cb 0.53 -0.28 -0.06 0.00 -0.00 0.00 0.00 29.99 30.17 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 -3.25 -0.51 0.34 4.41 -0.71 -0.76 -3.78 117.98 113.72 1ffu s PHE 110 Ca -0.01 0.79 -0.29 0.00 -1.04 0.00 0.00 56.93 56.38 1ffu s PHE 110 Cb 0.14 0.34 -0.11 0.00 -1.21 0.00 0.00 43.02 42.18 1ffu s PHE 110 CO 0.87 -0.58 1.45 -1.14 -1.34 0.00 0.00 175.22 174.48 1ffu s GLN 111 N -1.56 4.19 -0.36 1.99 0.74 -1.20 -2.32 119.66 121.14 1ffu s GLN 111 Ca -0.10 2.45 0.00 0.00 0.05 0.00 0.00 55.36 57.76 1ffu s GLN 111 Cb -0.01 -3.02 0.00 0.00 1.10 0.00 0.00 33.01 31.08 1ffu s GLN 111 CO 0.06 -0.44 0.00 -1.33 -0.55 0.00 0.00 175.29 173.02 1ffu n MET 112 N 0.95 -0.32 -2.32 1.67 2.81 0.19 -4.88 117.12 115.21 1ffu n MET 112 Ca 0.02 0.54 -0.34 0.00 -1.81 0.00 0.00 57.70 56.11 1ffu n MET 112 Cb 0.40 -4.15 -0.01 0.00 -0.71 0.00 0.00 33.22 28.75 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 -1.97 3.50 -0.29 0.03 0.74 -0.98 -4.48 119.66 116.21 1ffu s GLN 113 Ca 0.00 1.44 -0.29 0.00 0.05 0.00 0.00 55.36 56.56 1ffu s GLN 113 Cb 0.00 -2.04 -0.02 0.00 1.10 0.00 0.00 33.01 32.05 1ffu s GLN 113 CO 0.00 -0.69 1.74 -1.21 -0.55 0.00 0.00 175.29 174.58 1ffu s GLU 114 N -3.42 3.50 -0.22 1.67 8.01 -1.26 -1.06 118.70 125.91 1ffu s GLU 114 Ca 0.69 1.52 0.02 0.00 0.01 0.00 0.00 54.97 57.20 1ffu s GLU 114 Cb -0.19 -4.14 -0.14 0.00 -4.31 0.00 0.00 34.13 25.34 1ffu s GLU 114 CO 0.26 -1.66 -0.19 0.28 0.01 0.00 0.00 175.26 173.96 1ffu n VAL 115 N 7.09 1.26 -3.58 2.63 0.31 0.03 -0.14 118.33 125.93 1ffu n VAL 115 Ca 0.22 -0.48 -0.11 0.00 -0.01 0.00 0.00 64.34 63.96 1ffu n VAL 115 Cb 0.46 -1.28 -0.03 0.00 -0.91 0.00 0.00 33.84 32.08 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 -2.44 -1.24 0.13 3.52 0.00 -0.96 -4.28 121.76 116.50 1ffu s ALA 116 Ca -0.29 0.13 0.07 0.00 0.00 0.00 0.00 51.96 51.86 1ffu s ALA 116 Cb 0.08 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 1ffu s ALA 116 CO 0.50 -0.76 -0.16 0.96 0.00 0.00 0.00 175.76 176.30 1ffu s ILE 117 N -3.80 1.54 0.05 0.00 -4.36 -0.34 0.11 121.20 114.39 1ffu s ILE 117 Ca 0.04 -1.76 0.05 0.00 -0.26 0.00 0.00 60.65 58.73 1ffu s ILE 117 Cb -0.01 -1.63 -0.02 0.00 1.25 0.00 0.00 42.46 42.05 1ffu s ILE 117 CO -0.09 -0.33 -0.14 0.68 0.24 0.00 0.00 174.94 175.29 1ffu s VAL 118 N -1.97 1.14 -0.09 8.37 -7.23 -0.15 -0.79 120.40 119.67 1ffu s VAL 118 Ca 0.11 -1.07 0.04 0.00 -1.81 0.00 0.00 61.98 59.24 1ffu s VAL 118 Cb -0.06 -1.04 0.00 0.00 0.56 0.00 0.00 36.38 35.84 1ffu s VAL 118 CO 0.04 -0.03 -0.22 -0.63 -0.31 0.00 0.00 175.10 173.95 1ffu s ILE 119 N -0.93 1.93 0.24 -0.62 1.09 -0.47 -1.50 121.20 120.95 1ffu s ILE 119 Ca 0.01 -0.95 -0.03 0.00 -1.10 0.00 0.00 60.65 58.59 1ffu s ILE 119 Cb -0.08 -1.68 -0.03 0.00 -1.06 0.00 0.00 42.46 39.61 1ffu s ILE 119 CO 0.01 0.53 0.26 0.00 -0.10 0.00 0.00 174.94 175.65 1ffu s ALA 120 N 0.37 0.92 0.53 9.38 0.00 0.90 -0.50 121.76 133.36 1ffu s ALA 120 Ca -0.18 -1.56 0.19 0.00 0.00 0.00 0.00 51.96 50.42 1ffu s ALA 120 Cb -0.18 1.31 1.36 0.00 0.00 0.00 0.00 23.12 25.62 1ffu s ALA 120 CO 0.08 -0.68 2.14 -0.44 0.00 0.00 0.00 175.76 176.86 1ffu h ASP 121 N 2.42 0.00 -5.04 0.00 3.32 -1.55 0.42 116.42 115.99 1ffu h ASP 121 Ca -0.31 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.76 1ffu h ASP 121 Cb 1.25 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.75 1ffu h ASP 121 CO 0.45 0.00 0.18 1.51 -1.72 0.00 0.00 179.24 179.66 1ffu s ASP 122 N -6.80 -0.16 0.58 6.45 1.47 -1.26 -4.48 116.67 112.47 1ffu s ASP 122 Ca -0.05 -0.77 0.38 0.00 1.18 0.00 0.00 52.55 53.29 1ffu s ASP 122 Cb 0.17 0.73 1.79 0.00 -0.34 0.00 0.00 42.92 45.28 1ffu s ASP 122 CO 0.66 -1.38 2.13 0.08 0.68 0.00 0.00 175.17 177.34 1ffu h ARG 123 N 2.04 0.00 -0.00 2.11 0.11 -1.90 -1.31 114.38 115.43 1ffu h ARG 123 Ca -0.22 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.82 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 0.28 0.00 -0.12 1.88 0.10 0.00 0.00 179.97 182.11 1ffu h TYR 124 N 0.00 0.13 -0.27 4.08 -1.99 -1.98 -1.82 116.97 115.11 1ffu h TYR 124 Ca 0.00 -0.07 -0.10 0.00 2.00 0.00 0.00 58.73 60.56 1ffu h TYR 124 Cb 0.28 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.98 1ffu h TYR 124 CO 0.00 0.85 -0.26 0.82 -0.00 0.00 0.00 178.16 179.57 1ffu h ILE 125 N -0.64 1.27 -0.04 -2.88 2.04 -1.95 -2.59 117.51 112.73 1ffu h ILE 125 Ca -0.01 -1.31 -0.00 0.00 1.00 0.00 0.00 64.86 64.54 1ffu h ILE 125 Cb 0.88 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1ffu h ILE 125 CO 0.02 0.42 0.02 0.00 0.00 0.00 0.00 178.15 178.61 1ffu h ALA 126 N 1.26 0.05 -1.00 1.87 0.00 -1.28 0.91 119.26 121.06 1ffu h ALA 126 Ca 0.06 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1ffu h ALA 126 Cb 0.70 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1ffu h ALA 126 CO 0.05 -0.43 0.65 0.00 0.00 0.00 0.00 179.25 179.53 1ffu h ALA 127 N 0.96 1.37 -0.15 0.00 0.00 -1.18 -1.33 119.26 118.93 1ffu h ALA 127 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1ffu h ALA 127 Cb 0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1ffu h ALA 127 CO -0.00 0.49 0.07 -0.44 0.00 0.00 0.00 179.25 179.37 1ffu h ASP 128 N 1.22 0.20 -0.59 0.00 3.32 -1.04 -2.57 116.42 116.96 1ffu h ASP 128 Ca 0.42 -0.12 0.10 0.00 0.02 0.00 0.00 57.03 57.45 1ffu h ASP 128 Cb 0.10 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1ffu h ASP 128 CO -0.15 0.26 0.40 0.00 -1.72 0.00 0.00 179.24 178.02 1ffu h ALA 129 N 0.94 2.06 -0.36 3.45 0.00 0.05 -1.25 119.26 124.15 1ffu h ALA 129 Ca 0.05 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1ffu h ALA 129 Cb 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1ffu h ALA 129 CO -0.01 -0.19 -0.06 0.28 0.00 0.00 0.00 179.25 179.27 1ffu h VAL 130 N 0.37 1.27 -0.11 0.00 2.07 -0.88 -2.79 116.25 116.19 1ffu h VAL 130 Ca 0.27 -1.11 -0.08 0.00 0.82 0.00 0.00 66.70 66.60 1ffu h VAL 130 Cb 0.58 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1ffu h VAL 130 CO -0.07 0.37 -0.29 -0.33 0.02 0.00 0.00 177.57 177.27 1ffu h GLU 131 N 0.48 0.20 0.00 1.57 4.39 -1.02 -2.65 114.58 117.55 1ffu h GLU 131 Ca 0.09 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1ffu h GLU 131 Cb 0.56 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1ffu h GLU 131 CO 0.03 0.48 0.00 0.00 -1.16 0.00 0.00 179.01 178.36 1ffu h ALA 132 N 1.53 1.00 -2.05 3.43 0.00 -1.14 -3.42 119.26 118.61 1ffu h ALA 132 Ca 0.03 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.33 1ffu h ALA 132 Cb 0.60 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.28 1ffu h ALA 132 CO 0.04 0.00 0.46 0.08 0.00 0.00 0.00 179.25 179.83 1ffu s VAL 133 N -3.29 4.62 -0.04 0.00 1.01 -1.00 -4.30 120.40 117.41 1ffu s VAL 133 Ca 0.06 0.78 -0.14 0.00 0.00 0.00 0.00 61.98 62.68 1ffu s VAL 133 Cb 0.10 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 1ffu s VAL 133 CO 0.48 -0.63 0.37 -0.54 0.00 0.00 0.00 175.10 174.78 1ffu s LYS 134 N 3.38 3.92 -0.04 2.72 1.02 -1.23 -4.96 119.74 124.56 1ffu s LYS 134 Ca 0.34 0.32 0.02 0.00 0.02 0.00 0.00 55.97 56.67 1ffu s LYS 134 Cb -0.12 -3.25 0.01 0.00 -0.52 0.00 0.00 37.83 33.95 1ffu s LYS 134 CO 0.21 0.63 -0.08 0.08 -0.92 0.00 0.00 175.35 175.27 1ffu s VAL 135 N -0.82 0.73 -0.15 3.17 1.01 -1.26 -0.98 120.40 122.10 1ffu s VAL 135 Ca 0.22 -0.29 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 1ffu s VAL 135 Cb -0.16 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1ffu s VAL 135 CO 0.11 0.25 0.09 -1.61 0.00 0.00 0.00 175.10 173.94 1ffu s GLU 136 N 0.47 3.73 0.11 2.72 2.02 -0.46 -5.02 118.70 122.27 1ffu s GLU 136 Ca -0.07 -0.27 0.04 0.00 0.02 0.00 0.00 54.97 54.69 1ffu s GLU 136 Cb -0.11 -3.19 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 1ffu s GLU 136 CO 0.01 0.48 -0.10 0.71 0.02 0.00 0.00 175.26 176.38 1ffu s TYR 137 N -0.21 1.12 -0.33 1.61 2.02 -1.26 -1.35 117.35 118.95 1ffu s TYR 137 Ca 0.09 -0.70 -0.03 0.00 -0.37 0.00 0.00 57.07 56.06 1ffu s TYR 137 Cb -0.12 -0.60 0.06 0.00 -0.40 0.00 0.00 41.96 40.90 1ffu s TYR 137 CO 0.01 0.02 0.06 -0.51 -1.57 0.00 0.00 175.55 173.56 1ffu s ASP 138 N -2.70 5.04 0.44 2.29 1.01 -0.06 -4.89 116.67 117.80 1ffu s ASP 138 Ca 0.09 -1.43 -0.26 0.00 0.71 0.00 0.00 52.55 51.66 1ffu s ASP 138 Cb -0.01 -1.76 -0.09 0.00 1.01 0.00 0.00 42.92 42.07 1ffu s ASP 138 CO -0.00 -0.34 1.43 -1.61 0.21 0.00 0.00 175.17 174.86 1ffu s GLU 139 N 1.25 3.73 0.16 8.23 2.02 -1.26 -0.96 118.70 131.87 1ffu s GLU 139 Ca -0.01 2.43 0.09 0.00 0.02 0.00 0.00 54.97 57.49 1ffu s GLU 139 Cb -0.20 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.30 1ffu s GLU 139 CO -0.01 -0.78 -0.19 -0.51 0.02 0.00 0.00 175.26 173.78 1ffu s LEU 140 N -2.65 2.42 0.13 1.80 1.43 0.05 -4.87 118.68 116.99 1ffu s LEU 140 Ca 0.60 -0.84 -0.32 0.00 -1.03 0.00 0.00 54.13 52.54 1ffu s LEU 140 Cb -0.44 -0.88 -0.12 0.00 0.03 0.00 0.00 46.19 44.78 1ffu s LEU 140 CO 0.57 -0.00 1.75 -0.81 0.23 0.00 0.00 176.35 178.08 1ffu n PRO 141 N 0.39 2.56 -2.51 1.29 -0.04 -1.26 -4.61 135.00 130.82 1ffu n PRO 141 Ca -0.14 0.93 -0.33 0.00 -0.04 0.00 0.00 63.50 63.92 1ffu n PRO 141 Cb 0.56 -2.77 -0.04 0.00 -0.04 0.00 0.00 33.50 31.21 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 2.06 4.38 -0.19 0.52 1.01 -1.26 -4.88 120.40 122.03 1ffu s VAL 142 Ca 0.81 1.27 -0.00 0.00 0.00 0.00 0.00 61.98 64.05 1ffu s VAL 142 Cb -0.56 -3.64 0.05 0.00 0.00 0.00 0.00 36.38 32.23 1ffu s VAL 142 CO 0.38 -0.53 -0.05 -0.69 0.00 0.00 0.00 175.10 174.21 1ffu s VAL 143 N -2.43 1.23 -0.00 2.92 1.01 -1.26 -4.99 120.40 116.86 1ffu s VAL 143 Ca 0.61 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.76 1ffu s VAL 143 Cb -0.11 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1ffu s VAL 143 CO 0.25 0.02 0.03 2.30 0.00 0.00 0.00 175.10 177.71 1ffu n ILE 144 N 4.81 0.02 -4.29 2.22 -5.35 -1.26 -0.83 119.36 114.68 1ffu n ILE 144 Ca -0.12 -0.04 -0.34 0.00 -0.27 0.00 0.00 62.75 61.98 1ffu n ILE 144 Cb 0.46 0.26 -0.12 0.00 -1.74 0.00 0.00 39.64 38.50 1ffu n ILE 144 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1ffu s ASP 145 N -2.34 4.92 0.26 7.28 -1.08 -1.26 -4.96 116.67 119.49 1ffu s ASP 145 Ca -0.01 -0.11 -0.01 0.00 -0.52 0.00 0.00 52.55 51.90 1ffu s ASP 145 Cb 0.01 -1.81 0.49 0.00 -1.46 0.00 0.00 42.92 40.15 1ffu s ASP 145 CO 0.07 0.15 1.80 -0.65 0.52 0.00 0.00 175.17 177.07 1ffu h PRO 146 N 6.84 0.78 -0.33 4.34 0.11 -1.95 -0.47 132.00 141.33 1ffu h PRO 146 Ca -0.33 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.69 1ffu h PRO 146 Cb 1.19 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1ffu h PRO 146 CO 0.64 0.52 0.04 0.82 -0.21 0.00 0.00 178.00 179.80 1ffu h ILE 147 N 0.81 1.24 0.00 4.15 1.08 -1.98 -2.54 117.51 120.26 1ffu h ILE 147 Ca 0.45 -0.87 -0.03 0.00 -0.39 0.00 0.00 64.86 64.02 1ffu h ILE 147 Cb 0.50 1.18 -0.00 0.00 -3.07 0.00 0.00 36.82 35.42 1ffu h ILE 147 CO -0.29 0.29 -0.15 0.44 -0.69 0.00 0.00 178.15 177.75 1ffu h ASP 148 N 0.37 0.00 0.52 1.72 3.45 -1.85 -2.82 116.42 117.81 1ffu h ASP 148 Ca 0.10 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.48 1ffu h ASP 148 Cb 0.38 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.14 1ffu h ASP 148 CO 0.01 0.15 -0.35 0.00 -1.57 0.00 0.00 179.24 177.48 1ffu h ALA 149 N 1.85 1.23 -0.11 3.45 0.00 -0.66 -3.14 119.26 121.88 1ffu h ALA 149 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ffu h ALA 149 Cb 0.44 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ffu h ALA 149 CO 0.02 0.44 0.00 1.28 0.00 0.00 0.00 179.25 180.99 1ffu n LEU 150 N -3.84 2.09 -4.77 0.00 4.77 -1.06 -4.67 117.00 109.51 1ffu n LEU 150 Ca -0.01 -0.78 -0.37 0.00 -0.03 0.00 0.00 56.01 54.81 1ffu n LEU 150 Cb 0.42 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1ffu n LEU 150 CO 0.37 0.39 0.86 -0.54 -1.33 0.00 0.00 177.39 177.14 1ffu s LYS 151 N -1.87 3.61 0.22 3.23 1.02 -1.19 -4.94 119.74 119.82 1ffu s LYS 151 Ca 0.34 1.88 -0.10 0.00 0.02 0.00 0.00 55.97 58.11 1ffu s LYS 151 Cb 0.20 -2.37 0.32 0.00 -0.52 0.00 0.00 37.83 35.47 1ffu s LYS 151 CO 0.30 -0.70 1.66 -1.35 -0.92 0.00 0.00 175.35 174.34 1ffu h PRO 152 N 1.90 0.11 -0.03 -1.68 0.11 -1.92 -0.41 132.00 130.08 1ffu h PRO 152 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1ffu h PRO 152 Cb 1.26 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1ffu h PRO 152 CO 0.59 0.07 0.00 -0.40 -0.21 0.00 0.00 178.00 178.06 1ffu n ASP 153 N -5.30 0.30 -4.76 -2.05 5.68 -1.26 -4.90 116.55 104.26 1ffu n ASP 153 Ca 0.10 -1.53 -0.41 0.00 -0.50 0.00 0.00 54.79 52.45 1ffu n ASP 153 Cb 0.38 -0.02 -0.01 0.00 -1.14 0.00 0.00 41.12 40.32 1ffu n ASP 153 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ffu s ALA 154 N -1.96 3.65 0.67 2.12 0.00 -0.17 -4.94 121.76 121.13 1ffu s ALA 154 Ca 0.26 1.49 -0.17 0.00 0.00 0.00 0.00 51.96 53.54 1ffu s ALA 154 Cb 0.12 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1ffu s ALA 154 CO 0.20 -0.92 1.28 -1.25 0.00 0.00 0.00 175.76 175.07 1ffu s PRO 155 N -1.04 2.44 -0.24 0.00 0.04 -1.26 -4.95 135.00 129.99 1ffu s PRO 155 Ca 0.58 2.01 -0.27 0.00 0.04 0.00 0.00 61.00 63.37 1ffu s PRO 155 Cb -0.45 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.25 1ffu s PRO 155 CO 0.52 -1.67 0.93 0.08 0.04 0.00 0.00 177.00 176.90 1ffu s VAL 156 N -1.51 4.75 -0.14 -0.36 1.01 -1.26 -4.93 120.40 117.96 1ffu s VAL 156 Ca 0.81 1.76 -0.10 0.00 0.00 0.00 0.00 61.98 64.45 1ffu s VAL 156 Cb -0.36 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 31.76 1ffu s VAL 156 CO 0.41 -0.15 -0.11 -0.07 0.00 0.00 0.00 175.10 175.18 1ffu h LEU 157 N 9.36 0.00 -7.73 3.92 3.38 -1.92 -3.42 115.31 118.89 1ffu h LEU 157 Ca -0.21 -0.07 -0.74 0.00 0.09 0.00 0.00 57.88 56.96 1ffu h LEU 157 Cb 1.08 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.65 1ffu h LEU 157 CO 0.93 0.81 1.32 -0.13 0.09 0.00 0.00 178.44 181.45 1ffu s ARG 158 N -2.18 4.07 0.31 1.13 1.81 -1.26 -4.77 118.95 118.05 1ffu s ARG 158 Ca -0.15 -2.55 0.26 0.00 -1.72 0.00 0.00 55.73 51.57 1ffu s ARG 158 Cb 0.02 -5.05 0.99 0.00 -0.45 0.00 0.00 34.95 30.46 1ffu s ARG 158 CO 0.24 -1.76 1.77 0.93 -0.68 0.00 0.00 175.30 175.80 1ffu h GLU 159 N 7.23 0.00 -0.15 3.54 5.08 -1.96 -3.04 114.58 125.28 1ffu h GLU 159 Ca 0.31 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.54 1ffu h GLU 159 Cb 0.88 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1ffu h GLU 159 CO 1.23 0.00 -0.47 0.38 -1.00 0.00 0.00 179.01 179.16 1ffu h ASP 160 N 0.00 0.41 -0.88 1.42 2.03 -2.00 -3.04 116.42 114.36 1ffu h ASP 160 Ca 0.00 -0.19 -0.55 0.00 -0.73 0.00 0.00 57.03 55.56 1ffu h ASP 160 Cb 0.48 -0.11 -0.29 0.00 -0.83 0.00 0.00 39.33 38.58 1ffu h ASP 160 CO 0.00 0.82 0.45 0.00 -1.03 0.00 0.00 179.24 179.48 1ffu n LEU 161 N -3.99 6.59 -4.70 0.15 -0.00 -1.15 -4.97 117.00 108.93 1ffu n LEU 161 Ca -0.02 -4.12 -0.42 0.00 -0.00 0.00 0.00 56.01 51.45 1ffu n LEU 161 Cb 0.53 -0.81 -0.03 0.00 -0.00 0.00 0.00 43.42 43.12 1ffu n LEU 161 CO 0.44 1.43 0.92 0.00 -0.00 0.00 0.00 177.39 180.18 1ffu s ALA 162 N -3.59 3.44 0.00 1.47 0.00 -1.15 -3.01 121.76 118.92 1ffu s ALA 162 Ca 0.58 0.71 0.00 0.00 0.00 0.00 0.00 51.96 53.26 1ffu s ALA 162 Cb 0.47 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1ffu s ALA 162 CO 0.03 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.58 1ffu n GLY 163 N 3.30 0.69 3.57 0.00 0.00 -1.26 -5.07 105.19 106.42 1ffu n GLY 163 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.88 3.85 0.00 1.61 1.02 -1.16 -4.95 119.74 119.22 1ffu s LYS 164 Ca 0.00 -0.38 0.27 0.00 0.02 0.00 0.00 55.97 55.88 1ffu s LYS 164 Cb 0.00 -3.65 0.93 0.00 -0.52 0.00 0.00 37.83 34.59 1ffu s LYS 164 CO 0.00 -0.22 1.67 0.25 -0.92 0.00 0.00 175.35 176.13 1ffu n THR 165 N 5.05 0.00 -3.99 2.17 -2.24 -1.26 -4.87 114.28 109.14 1ffu n THR 165 Ca -0.14 -0.17 -0.09 0.00 -2.27 0.00 0.00 64.05 61.38 1ffu n THR 165 Cb 0.52 0.40 -0.08 0.00 -2.10 0.00 0.00 70.33 69.06 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 -2.27 0.24 0.00 3.42 1.04 -1.26 -1.84 113.70 113.02 1ffu s SER 166 Ca 0.31 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.85 1ffu s SER 166 Cb 0.20 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1ffu s SER 166 CO 0.43 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1ffu n GLY 167 N -0.05 6.07 0.18 7.32 0.00 0.28 -4.82 105.19 114.16 1ffu n GLY 167 Ca -0.11 -1.61 0.14 0.00 0.00 0.00 0.00 46.02 44.43 1ffu n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ffu h ALA 168 N 1.00 1.00 -0.16 4.61 0.00 -1.89 -3.28 119.26 120.54 1ffu h ALA 168 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1ffu h ALA 168 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.62 1ffu h ALA 168 CO 0.00 0.00 -0.69 0.72 0.00 0.00 0.00 179.25 179.28 1ffu n HIS 169 N -2.65 0.57 0.00 0.00 8.25 -1.26 -5.05 115.22 115.07 1ffu n HIS 169 Ca 0.03 -1.48 0.00 0.00 -0.26 0.00 0.00 57.72 56.01 1ffu n HIS 169 Cb 0.36 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 -0.72 -0.79 3.76 -1.41 0.00 -1.24 -4.56 105.19 100.23 1ffu n GLY 170 Ca 0.20 -2.21 -0.38 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.24 3.58 -0.20 1.61 0.04 -1.26 -0.56 135.00 137.96 1ffu s PRO 171 Ca 0.00 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.07 1ffu s PRO 171 Cb 0.00 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 32.11 1ffu s PRO 171 CO 0.00 -0.78 -0.11 1.03 0.04 0.00 0.00 177.00 177.18 1ffu s ARG 172 N -2.67 3.22 0.29 4.56 0.52 -0.77 -4.65 118.95 119.45 1ffu s ARG 172 Ca 0.65 -0.71 0.24 0.00 -0.52 0.00 0.00 55.73 55.38 1ffu s ARG 172 Cb -0.35 -2.81 0.32 0.00 0.52 0.00 0.00 34.95 32.63 1ffu s ARG 172 CO 0.43 -0.18 1.43 0.93 0.02 0.00 0.00 175.30 177.93 1ffu h GLU 173 N 7.97 0.00 -3.85 3.54 5.08 -1.87 -3.44 114.58 122.01 1ffu h GLU 173 Ca -0.42 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.81 1ffu h GLU 173 Cb 1.16 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.23 1ffu h GLU 173 CO 0.61 0.00 -0.53 -1.58 -1.00 0.00 0.00 179.01 176.51 1ffu s HIS 174 N -3.23 0.23 0.39 4.33 5.04 -1.26 -5.02 115.29 115.77 1ffu s HIS 174 Ca 0.05 -0.57 0.39 0.00 -1.54 0.00 0.00 55.06 53.40 1ffu s HIS 174 Cb 0.09 -0.16 1.98 0.00 0.04 0.00 0.00 32.58 34.53 1ffu s HIS 174 CO 0.70 -0.37 2.18 1.12 -2.34 0.00 0.00 174.74 176.03 1ffu h HIS 175 N 3.58 0.00 -0.02 3.88 2.07 -1.94 -1.12 115.15 121.60 1ffu h HIS 175 Ca -0.33 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.19 1ffu h HIS 175 Cb 1.18 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.16 1ffu h HIS 175 CO 0.54 0.00 -0.03 0.09 -3.07 0.00 0.00 177.93 175.46 1ffu n ASN 176 N -2.96 2.46 -4.68 3.10 3.02 -1.26 -4.70 115.26 110.24 1ffu n ASN 176 Ca -0.02 -1.73 -0.41 0.00 -0.03 0.00 0.00 54.58 52.39 1ffu n ASN 176 Cb 0.13 0.04 -0.04 0.00 -0.61 0.00 0.00 39.78 39.30 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 -1.57 3.47 -0.21 3.10 2.46 -0.42 -0.28 115.29 121.83 1ffu s HIS 177 Ca 0.21 1.30 -0.21 0.00 0.47 0.00 0.00 55.06 56.82 1ffu s HIS 177 Cb 0.15 -2.99 -0.19 0.00 -0.13 0.00 0.00 32.58 29.43 1ffu s HIS 177 CO 0.25 -0.16 0.19 -0.89 -2.47 0.00 0.00 174.74 171.66 1ffu n ILE 178 N 4.48 1.53 -3.70 0.89 5.41 0.84 -4.72 119.36 124.09 1ffu n ILE 178 Ca 0.04 -0.04 -0.01 0.00 1.00 0.00 0.00 62.75 63.73 1ffu n ILE 178 Cb 0.49 -2.04 -0.01 0.00 -0.71 0.00 0.00 39.64 37.38 1ffu n ILE 178 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 1ffu s PHE 179 N -2.37 -0.08 -0.04 1.39 -0.12 -1.17 -4.79 117.98 110.80 1ffu s PHE 179 Ca -0.29 -0.14 -0.01 0.00 -0.05 0.00 0.00 56.93 56.44 1ffu s PHE 179 Cb 0.06 0.60 0.03 0.00 -0.63 0.00 0.00 43.02 43.08 1ffu s PHE 179 CO 0.59 -0.58 0.04 0.99 -0.05 0.00 0.00 175.22 176.21 1ffu s THR 180 N -2.86 -0.02 0.04 -4.49 2.01 -1.26 -1.44 115.64 107.62 1ffu s THR 180 Ca 0.14 0.34 0.05 0.00 0.31 0.00 0.00 61.69 62.53 1ffu s THR 180 Cb 0.01 -0.20 -0.02 0.00 0.01 0.00 0.00 72.50 72.30 1ffu s THR 180 CO -0.00 0.17 -0.16 0.86 -0.69 0.00 0.00 174.62 174.81 1ffu s TRP 181 N 1.91 1.36 0.10 4.92 -0.00 0.25 -4.95 118.94 122.53 1ffu s TRP 181 Ca 0.02 -0.36 -0.08 0.00 -0.00 0.00 0.00 56.10 55.68 1ffu s TRP 181 Cb -0.12 -0.80 -0.00 0.00 -0.00 0.00 0.00 33.47 32.54 1ffu s TRP 181 CO -0.03 0.05 0.19 0.20 -0.00 0.00 0.00 176.95 177.36 1ffu s GLY 182 N -1.16 0.16 0.03 5.86 0.00 -1.26 -0.14 107.32 110.80 1ffu s GLY 182 Ca 0.03 -0.68 -0.19 0.00 0.00 0.00 0.00 44.72 43.88 1ffu s GLY 182 CO 0.01 -0.83 0.42 0.00 0.00 0.00 0.00 173.10 172.70 1ffu s ALA 183 N -3.88 -1.05 0.00 3.20 0.00 -1.03 -5.01 121.76 114.00 1ffu s ALA 183 Ca 0.07 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.41 1ffu s ALA 183 Cb 0.05 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.46 1ffu s ALA 183 CO -0.10 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.64 1ffu n GLY 184 N 0.62 0.48 3.51 0.00 0.00 -1.26 -1.88 105.19 106.65 1ffu n GLY 184 Ca -0.19 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.44 6.33 -0.00 1.61 -1.08 -0.46 -4.86 116.67 117.76 1ffu s ASP 185 Ca 0.00 -0.42 -0.24 0.00 -0.52 0.00 0.00 52.55 51.37 1ffu s ASP 185 Cb 0.00 -2.37 -0.16 0.00 -1.46 0.00 0.00 42.92 38.93 1ffu s ASP 185 CO 0.00 -1.01 1.15 0.50 0.52 0.00 0.00 175.17 176.33 1ffu h LYS 186 N 9.09 -0.44 -0.66 4.34 1.63 -1.90 -2.02 116.57 126.62 1ffu h LYS 186 Ca -0.26 0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.60 1ffu h LYS 186 Cb 1.08 0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 32.77 1ffu h LYS 186 CO 1.00 -0.11 0.40 0.00 -3.45 0.00 0.00 179.45 177.29 1ffu h ALA 187 N -0.38 0.86 -0.52 5.00 0.00 -1.97 -0.60 119.26 121.65 1ffu h ALA 187 Ca -0.05 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1ffu h ALA 187 Cb 0.53 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1ffu h ALA 187 CO 0.08 0.14 -0.02 0.00 0.00 0.00 0.00 179.25 179.45 1ffu h ALA 188 N 1.30 0.70 -0.23 0.00 0.00 -1.98 -2.25 119.26 116.80 1ffu h ALA 188 Ca 0.27 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ffu h ALA 188 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ffu h ALA 188 CO -0.12 0.53 0.07 1.15 0.00 0.00 0.00 179.25 180.88 1ffu h THR 189 N 0.80 1.19 -0.81 0.00 2.02 -0.97 -2.65 112.91 112.49 1ffu h THR 189 Ca 0.15 -0.61 0.07 0.00 0.77 0.00 0.00 66.41 66.78 1ffu h THR 189 Cb 0.55 1.17 -0.05 0.00 -1.74 0.00 0.00 68.15 68.08 1ffu h THR 189 CO 0.03 0.20 0.53 0.44 0.37 0.00 0.00 175.52 177.08 1ffu h ASP 190 N 0.19 0.76 -0.67 4.18 3.32 -1.05 -1.96 116.42 121.20 1ffu h ASP 190 Ca 0.07 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1ffu h ASP 190 Cb 0.24 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1ffu h ASP 190 CO -0.00 0.49 0.29 0.00 -1.72 0.00 0.00 179.24 178.29 1ffu h ALA 191 N 1.57 0.86 -0.22 3.45 0.00 -1.07 -0.19 119.26 123.65 1ffu h ALA 191 Ca 0.35 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1ffu h ALA 191 Cb 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1ffu h ALA 191 CO -0.13 0.46 0.03 0.28 0.00 0.00 0.00 179.25 179.89 1ffu h VAL 192 N 0.94 1.23 0.00 0.00 2.07 -1.05 -2.97 116.25 116.47 1ffu h VAL 192 Ca 0.22 -0.79 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 1ffu h VAL 192 Cb 0.17 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1ffu h VAL 192 CO -0.02 0.25 -0.25 -0.26 0.02 0.00 0.00 177.57 177.31 1ffu h PHE 193 N 0.17 0.00 -0.20 1.57 -1.00 -1.29 0.55 116.94 116.74 1ffu h PHE 193 Ca 0.07 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.76 1ffu h PHE 193 Cb 0.34 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 1ffu h PHE 193 CO 0.02 0.25 -0.24 0.00 -1.61 0.00 0.00 178.31 176.74 1ffu h ALA 194 N 1.75 1.23 0.00 2.45 0.00 -0.87 -3.33 119.26 120.50 1ffu h ALA 194 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ffu h ALA 194 Cb 0.52 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ffu h ALA 194 CO 0.03 0.50 0.00 0.09 0.00 0.00 0.00 179.25 179.88 1ffu n ASN 195 N -4.15 0.84 -4.76 0.00 3.02 -1.13 -5.08 115.26 104.01 1ffu n ASN 195 Ca -0.01 -0.95 -0.40 0.00 -0.03 0.00 0.00 54.58 53.19 1ffu n ASN 195 Cb 0.37 0.09 0.01 0.00 -0.61 0.00 0.00 39.78 39.65 1ffu n ASN 195 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ffu n ALA 196 N -0.09 2.07 -0.07 5.41 0.00 0.17 -4.95 120.51 123.05 1ffu n ALA 196 Ca 0.00 0.27 -0.12 0.00 0.00 0.00 0.00 53.44 53.59 1ffu n ALA 196 Cb 0.02 -2.39 0.01 0.00 0.00 0.00 0.00 19.45 17.09 1ffu n ALA 196 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ffu h PRO 197 N 2.41 0.79 -5.49 0.00 0.13 -1.90 -3.43 132.00 124.51 1ffu h PRO 197 Ca -0.51 -0.44 -0.67 0.00 -0.87 0.00 0.00 66.00 63.52 1ffu h PRO 197 Cb 1.27 0.03 -0.27 0.00 0.13 0.00 0.00 31.00 32.15 1ffu h PRO 197 CO 0.61 1.07 -0.79 0.08 -0.23 0.00 0.00 178.00 178.75 1ffu s VAL 198 N -4.26 2.88 -0.06 1.56 1.01 -0.46 -4.99 120.40 116.08 1ffu s VAL 198 Ca -0.10 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 1ffu s VAL 198 Cb 0.11 -2.18 0.04 0.00 0.00 0.00 0.00 36.38 34.35 1ffu s VAL 198 CO 0.87 0.54 0.13 -0.89 0.00 0.00 0.00 175.10 175.75 1ffu s THR 199 N 0.18 -0.11 0.03 3.92 2.01 -1.26 -1.44 115.64 118.96 1ffu s THR 199 Ca -0.09 0.24 0.07 0.00 0.31 0.00 0.00 61.69 62.23 1ffu s THR 199 Cb -0.15 -0.23 -0.02 0.00 0.01 0.00 0.00 72.50 72.10 1ffu s THR 199 CO 0.05 0.10 -0.20 0.68 -0.69 0.00 0.00 174.62 174.56 1ffu s VAL 200 N 1.51 1.64 -0.01 3.82 -7.23 -0.69 -5.01 120.40 114.43 1ffu s VAL 200 Ca -0.05 -1.10 0.02 0.00 -1.81 0.00 0.00 61.98 59.04 1ffu s VAL 200 Cb -0.12 -1.41 -0.00 0.00 0.56 0.00 0.00 36.38 35.41 1ffu s VAL 200 CO -0.05 0.28 -0.06 -0.55 -0.31 0.00 0.00 175.10 174.41 1ffu s SER 201 N -0.97 0.70 -0.13 4.85 0.15 -1.26 -1.21 113.70 115.84 1ffu s SER 201 Ca 0.07 -0.11 -0.06 0.00 0.70 0.00 0.00 55.95 56.56 1ffu s SER 201 Cb -0.08 -0.11 0.05 0.00 -1.71 0.00 0.00 66.02 64.17 1ffu s SER 201 CO 0.01 0.06 0.29 -1.58 1.20 0.00 0.00 173.24 173.22 1ffu s GLN 202 N -0.03 0.24 -0.10 5.44 2.00 0.23 -5.01 119.66 122.44 1ffu s GLN 202 Ca 0.01 0.65 -0.13 0.00 -2.00 0.00 0.00 55.36 53.90 1ffu s GLN 202 Cb -0.03 -0.06 -0.05 0.00 0.80 0.00 0.00 33.01 33.67 1ffu s GLN 202 CO -0.00 -0.19 0.30 -1.58 -0.50 0.00 0.00 175.29 173.32 1ffu s HIS 203 N 1.58 3.58 -0.02 1.67 5.65 -1.26 -0.93 115.29 125.55 1ffu s HIS 203 Ca -0.07 0.72 -0.09 0.00 0.25 0.00 0.00 55.06 55.87 1ffu s HIS 203 Cb -0.10 -2.24 0.01 0.00 -1.18 0.00 0.00 32.58 29.07 1ffu s HIS 203 CO -0.10 0.48 0.19 0.00 -0.65 0.00 0.00 174.74 174.66 1ffu s MET 204 N -0.35 0.46 -0.18 2.88 0.23 0.27 -5.01 119.30 117.60 1ffu s MET 204 Ca 0.19 -0.17 -0.01 0.00 -1.03 0.00 0.00 55.69 54.67 1ffu s MET 204 Cb -0.14 0.20 0.00 0.00 -1.53 0.00 0.00 34.83 33.36 1ffu s MET 204 CO 0.07 -0.11 -0.13 -0.47 -2.03 0.00 0.00 175.02 172.35 1ffu s TYR 205 N -0.96 2.83 -0.59 3.16 5.04 -1.26 -0.54 117.35 125.02 1ffu s TYR 205 Ca -0.10 -1.11 -0.17 0.00 -2.44 0.00 0.00 57.07 53.24 1ffu s TYR 205 Cb -0.05 -1.95 0.12 0.00 0.35 0.00 0.00 41.96 40.43 1ffu s TYR 205 CO 0.02 -0.54 0.62 -0.47 -1.34 0.00 0.00 175.55 173.84 1ffu s TYR 206 N 1.05 3.17 0.48 4.97 6.14 -0.13 -4.41 117.35 128.63 1ffu s TYR 206 Ca -0.01 -1.20 -0.22 0.00 0.64 0.00 0.00 57.07 56.28 1ffu s TYR 206 Cb -0.15 -3.91 -0.08 0.00 0.42 0.00 0.00 41.96 38.24 1ffu s TYR 206 CO -0.03 -1.15 1.04 -2.30 0.64 0.00 0.00 175.55 173.75 1ffu n PRO 207 N 5.67 1.31 -2.05 4.97 -0.02 -1.26 -1.08 135.00 142.54 1ffu n PRO 207 Ca -0.09 0.48 -0.42 0.00 -2.02 0.00 0.00 63.50 61.44 1ffu n PRO 207 Cb 0.42 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 1ffu n PRO 207 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1ffu s ARG 208 N -2.30 4.21 0.33 -0.52 3.52 -1.26 -3.75 118.95 119.18 1ffu s ARG 208 Ca 0.67 2.16 0.03 0.00 -0.13 0.00 0.00 55.73 58.46 1ffu s ARG 208 Cb -0.50 -3.81 -0.05 0.00 -1.56 0.00 0.00 34.95 29.03 1ffu s ARG 208 CO 0.54 -0.76 0.09 0.14 -0.81 0.00 0.00 175.30 174.49 1ffu s VAL 209 N 3.39 0.85 -0.04 7.11 -7.23 -0.37 -2.40 120.40 121.72 1ffu s VAL 209 Ca 0.71 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.91 1ffu s VAL 209 Cb -0.34 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 33.97 1ffu s VAL 209 CO 0.29 0.00 -0.14 -2.28 -0.31 0.00 0.00 175.10 172.66 1ffu s HIS 210 N -3.40 1.50 0.53 2.82 2.46 -1.26 -0.30 115.29 117.64 1ffu s HIS 210 Ca 0.34 -0.45 0.25 0.00 0.47 0.00 0.00 55.06 55.67 1ffu s HIS 210 Cb 0.07 -1.04 1.40 0.00 -0.13 0.00 0.00 32.58 32.88 1ffu s HIS 210 CO 0.15 -0.18 2.00 -1.00 -2.47 0.00 0.00 174.74 173.24 1ffu h PRO 211 N 6.44 0.00 -6.78 2.88 0.13 -1.92 -3.47 132.00 129.28 1ffu h PRO 211 Ca -0.32 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.40 1ffu h PRO 211 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1ffu h PRO 211 CO 0.48 0.00 -0.76 0.00 -0.23 0.00 0.00 178.00 177.49 1ffu s PRO 213 N -5.74 3.50 0.27 0.00 0.04 -1.26 -4.91 135.00 126.90 1ffu s PRO 213 Ca 0.21 1.84 -0.01 0.00 0.04 0.00 0.00 61.00 63.09 1ffu s PRO 213 Cb -0.12 -2.27 0.47 0.00 0.04 0.00 0.00 34.50 32.62 1ffu s PRO 213 CO 0.68 -0.79 1.86 1.25 0.04 0.00 0.00 177.00 180.04 1ffu h LEU 214 N 1.69 0.97 -9.15 -3.56 5.85 -1.90 -3.37 115.31 105.85 1ffu h LEU 214 Ca -0.50 0.03 -0.60 0.00 0.84 0.00 0.00 57.88 57.65 1ffu h LEU 214 Cb 1.26 -0.17 -0.10 0.00 0.37 0.00 0.00 40.66 42.02 1ffu h LEU 214 CO 0.59 0.57 -0.08 -0.70 -0.34 0.00 0.00 178.44 178.48 1ffu s GLU 215 N -6.00 4.20 1.05 1.25 2.12 -1.17 -5.07 118.70 115.08 1ffu s GLU 215 Ca -0.12 0.38 -0.17 0.00 0.36 0.00 0.00 54.97 55.41 1ffu s GLU 215 Cb 0.21 -3.54 0.24 0.00 0.26 0.00 0.00 34.13 31.29 1ffu s GLU 215 CO 0.81 -0.09 1.27 0.95 -0.54 0.00 0.00 175.26 177.65 1ffu s THR 216 N 1.46 1.86 0.56 -1.70 -4.23 -1.26 -4.84 115.64 107.49 1ffu s THR 216 Ca 0.23 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.58 1ffu s THR 216 Cb -0.15 -2.84 -0.05 0.00 1.34 0.00 0.00 72.50 70.79 1ffu s THR 216 CO 0.09 0.00 1.03 0.00 -0.54 0.00 0.00 174.62 175.21 1ffu s GLY 218 N -2.76 -0.41 0.17 0.00 0.00 -1.26 -1.77 107.32 101.29 1ffu s GLY 218 Ca 0.63 1.20 -0.22 0.00 0.00 0.00 0.00 44.72 46.33 1ffu s GLY 218 CO 0.33 0.30 0.59 0.00 0.00 0.00 0.00 173.10 174.32 1ffu s VAL 220 N -3.79 1.06 0.08 0.00 1.01 -0.16 -0.54 120.40 118.06 1ffu s VAL 220 Ca 0.03 -1.55 -0.20 0.00 0.00 0.00 0.00 61.98 60.27 1ffu s VAL 220 Cb -0.01 -1.80 -0.07 0.00 0.00 0.00 0.00 36.38 34.50 1ffu s VAL 220 CO -0.10 -0.67 0.59 0.00 0.00 0.00 0.00 175.10 174.92 1ffu s ALA 221 N 1.49 3.58 -0.26 5.51 0.00 -0.35 -1.03 121.76 130.70 1ffu s ALA 221 Ca 0.10 0.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.10 1ffu s ALA 221 Cb -0.18 -2.66 0.12 0.00 0.00 0.00 0.00 23.12 20.41 1ffu s ALA 221 CO -0.22 0.39 0.28 0.45 0.00 0.00 0.00 175.76 176.66 1ffu s SER 222 N -1.13 1.39 -0.25 0.00 0.15 0.58 -0.95 113.70 113.48 1ffu s SER 222 Ca 0.30 -0.46 -0.12 0.00 0.70 0.00 0.00 55.95 56.37 1ffu s SER 222 Cb -0.20 0.55 -0.05 0.00 -1.71 0.00 0.00 66.02 64.62 1ffu s SER 222 CO 0.20 -0.36 0.23 0.12 1.20 0.00 0.00 173.24 174.63 1ffu s PHE 223 N 2.38 3.28 -0.52 3.44 5.36 -1.26 -0.75 117.98 129.90 1ffu s PHE 223 Ca 0.09 0.27 -0.17 0.00 -0.96 0.00 0.00 56.93 56.15 1ffu s PHE 223 Cb -0.15 -2.39 0.09 0.00 -0.34 0.00 0.00 43.02 40.23 1ffu s PHE 223 CO -0.24 -0.07 0.55 0.34 -1.46 0.00 0.00 175.22 174.34 1ffu s ASP 224 N 1.40 6.19 0.60 6.13 -1.08 -0.62 -4.05 116.67 125.23 1ffu s ASP 224 Ca 0.10 -1.33 0.32 0.00 -0.52 0.00 0.00 52.55 51.12 1ffu s ASP 224 Cb -0.15 -2.25 1.88 0.00 -1.46 0.00 0.00 42.92 40.94 1ffu s ASP 224 CO 0.08 -0.87 2.26 1.55 0.52 0.00 0.00 175.17 178.71 1ffu h PRO 225 N 8.95 0.00 0.21 4.34 0.13 -1.87 0.77 132.00 144.53 1ffu h PRO 225 Ca -0.29 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 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 0.99 0.01 -0.10 0.82 -0.23 0.00 0.00 178.00 179.49 1ffu h ILE 226 N 0.00 0.44 0.00 -3.56 2.04 -1.97 -3.29 117.51 111.17 1ffu h ILE 226 Ca -0.00 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 64.87 1ffu h ILE 226 Cb 0.04 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1ffu h ILE 226 CO 0.00 0.12 0.00 0.29 0.00 0.00 0.00 178.15 178.56 1ffu n LYS 227 N -4.96 0.25 -1.89 2.37 5.02 -1.12 -4.93 118.16 112.90 1ffu n LYS 227 Ca -0.06 0.25 -0.12 0.00 -2.02 0.00 0.00 58.31 56.36 1ffu n LYS 227 Cb 0.21 -1.81 -0.02 0.00 -0.02 0.00 0.00 35.03 33.38 1ffu n LYS 227 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ffu n GLY 228 N 1.10 0.41 3.12 0.72 0.00 0.27 -5.02 105.19 105.78 1ffu n GLY 228 Ca 0.05 -0.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.62 1.29 -0.11 1.61 1.47 -1.09 -4.95 116.67 112.28 1ffu s ASP 229 Ca 0.00 -0.56 -0.11 0.00 1.18 0.00 0.00 52.55 53.06 1ffu s ASP 229 Cb 0.00 -0.02 -0.05 0.00 -0.34 0.00 0.00 42.92 42.51 1ffu s ASP 229 CO 0.00 -0.12 0.25 -0.22 0.68 0.00 0.00 175.17 175.76 1ffu s LEU 230 N -1.57 4.35 -0.09 2.11 2.96 -0.51 -1.59 118.68 124.35 1ffu s LEU 230 Ca -0.05 0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 54.43 1ffu s LEU 230 Cb -0.10 -2.29 0.03 0.00 0.50 0.00 0.00 46.19 44.33 1ffu s LEU 230 CO 0.01 0.28 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.41 1ffu s THR 231 N -0.50 0.59 -0.08 3.68 2.01 0.07 -0.64 115.64 120.78 1ffu s THR 231 Ca 0.17 -0.03 -0.01 0.00 0.31 0.00 0.00 61.69 62.13 1ffu s THR 231 Cb -0.13 -0.71 0.03 0.00 0.01 0.00 0.00 72.50 71.69 1ffu s THR 231 CO 0.06 0.28 -0.03 0.28 -0.69 0.00 0.00 174.62 174.51 1ffu s THR 232 N 1.89 0.58 0.11 -0.82 -1.32 -0.43 -0.30 115.64 115.35 1ffu s THR 232 Ca 0.05 -0.04 -0.26 0.00 -1.21 0.00 0.00 61.69 60.23 1ffu s THR 232 Cb -0.13 -0.68 -0.07 0.00 -1.51 0.00 0.00 72.50 70.12 1ffu s THR 232 CO -0.06 0.28 0.79 -0.31 -2.21 0.00 0.00 174.62 173.11 1ffu s TYR 233 N 1.66 3.83 -0.01 9.09 1.51 -0.20 -1.73 117.35 131.51 1ffu s TYR 233 Ca 0.01 1.59 -0.27 0.00 -1.01 0.00 0.00 57.07 57.39 1ffu s TYR 233 Cb -0.13 -2.82 0.06 0.00 -0.11 0.00 0.00 41.96 38.97 1ffu s TYR 233 CO -0.05 0.39 0.61 -1.50 -1.11 0.00 0.00 175.55 173.89 1ffu s ILE 234 N -0.62 0.01 -1.38 2.71 2.07 -0.45 -0.99 121.20 122.55 1ffu s ILE 234 Ca 0.38 -0.09 -0.15 0.00 -1.41 0.00 0.00 60.65 59.37 1ffu s ILE 234 Cb -0.22 -0.96 0.06 0.00 0.13 0.00 0.00 42.46 41.47 1ffu s ILE 234 CO 0.25 -0.05 2.01 0.35 -1.91 0.00 0.00 174.94 175.59 1ffu n THR 235 N 0.72 3.70 -5.12 4.00 -2.24 -0.85 -4.19 114.28 110.31 1ffu n THR 235 Ca -0.19 -3.54 -0.29 0.00 -2.27 0.00 0.00 64.05 57.76 1ffu n THR 235 Cb 0.58 -2.50 -0.16 0.00 -2.10 0.00 0.00 70.33 66.16 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 3.47 2.67 0.00 3.42 0.15 -1.26 -4.77 113.70 117.39 1ffu s SER 236 Ca 0.49 -0.42 0.22 0.00 0.70 0.00 0.00 55.95 56.94 1ffu s SER 236 Cb 0.10 -0.42 0.68 0.00 -1.71 0.00 0.00 66.02 64.66 1ffu s SER 236 CO -0.02 0.26 1.52 0.00 1.20 0.00 0.00 173.24 176.20 1ffu n GLN 237 N 2.66 1.92 -2.84 5.44 6.02 0.12 -4.35 117.38 126.35 1ffu n GLN 237 Ca -0.16 -1.38 -0.11 0.00 -0.01 0.00 0.00 57.00 55.34 1ffu n GLN 237 Cb 0.52 -1.43 0.03 0.00 1.02 0.00 0.00 30.24 30.39 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 0.61 -0.46 -0.11 -1.58 0.00 -1.26 -1.58 120.51 116.12 1ffu n ALA 238 Ca 0.17 -1.86 0.06 0.00 0.00 0.00 0.00 53.44 51.82 1ffu n ALA 238 Cb 0.40 -1.19 0.39 0.00 0.00 0.00 0.00 19.45 19.06 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 3.73 0.63 -0.26 0.00 0.13 -1.92 -1.72 132.00 132.60 1ffu h PRO 239 Ca -0.09 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 64.95 1ffu h PRO 239 Cb 1.02 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 1ffu h PRO 239 CO 0.32 0.42 -0.04 0.45 -0.23 0.00 0.00 178.00 178.92 1ffu h HIS 240 N 0.65 0.55 -0.88 1.56 3.86 -1.90 -0.28 115.15 118.70 1ffu h HIS 240 Ca 0.26 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.34 1ffu h HIS 240 Cb 0.20 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.49 1ffu h HIS 240 CO -0.00 0.69 0.47 0.28 0.86 0.00 0.00 177.93 180.23 1ffu h VAL 241 N 0.25 1.26 -0.65 2.45 2.07 -1.70 -1.72 116.25 118.21 1ffu h VAL 241 Ca 0.07 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 1ffu h VAL 241 Cb 0.49 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1ffu h VAL 241 CO 0.02 0.30 0.32 0.58 0.02 0.00 0.00 177.57 178.81 1ffu h VAL 242 N 1.24 1.22 -0.24 2.57 2.07 -1.10 -1.17 116.25 120.83 1ffu h VAL 242 Ca 0.31 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 67.25 1ffu h VAL 242 Cb 0.05 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1ffu h VAL 242 CO -0.05 0.25 0.09 -0.09 0.02 0.00 0.00 177.57 177.80 1ffu h ARG 243 N 0.89 0.20 -0.18 1.57 1.12 -0.33 0.50 114.38 118.15 1ffu h ARG 243 Ca 0.22 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.08 1ffu h ARG 243 Cb 0.10 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.01 1ffu h ARG 243 CO -0.03 0.13 0.12 1.15 -3.11 0.00 0.00 179.97 178.23 1ffu h THR 244 N 0.21 1.04 -0.19 0.20 2.02 -1.10 -1.08 112.91 114.01 1ffu h THR 244 Ca 0.10 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 1ffu h THR 244 Cb 0.06 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1ffu h THR 244 CO -0.10 0.04 0.09 0.58 0.37 0.00 0.00 175.52 176.50 1ffu h VAL 245 N 0.24 1.14 -0.99 3.16 2.07 -0.75 -2.60 116.25 118.52 1ffu h VAL 245 Ca 0.07 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.20 1ffu h VAL 245 Cb -0.02 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 1ffu h VAL 245 CO -0.02 0.13 0.66 0.58 0.02 0.00 0.00 177.57 178.94 1ffu h VAL 246 N 0.17 1.26 -0.24 2.57 2.07 0.10 -2.03 116.25 120.15 1ffu h VAL 246 Ca 0.06 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 67.15 1ffu h VAL 246 Cb 0.13 -0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 29.66 1ffu h VAL 246 CO -0.01 0.25 0.06 -1.28 0.02 0.00 0.00 177.57 176.61 1ffu h SER 247 N 1.35 0.04 -0.35 0.57 0.87 -0.97 -1.39 113.55 113.66 1ffu h SER 247 Ca 0.36 0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.84 1ffu h SER 247 Cb -0.15 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1ffu h SER 247 CO -0.08 0.05 -0.22 0.24 -0.53 0.00 0.00 176.83 176.29 1ffu h MET 248 N 0.16 0.85 0.00 2.24 2.86 -1.17 -0.02 114.93 119.85 1ffu h MET 248 Ca 0.11 -0.35 -0.10 0.00 -2.06 0.00 0.00 59.70 57.30 1ffu h MET 248 Cb 0.10 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1ffu h MET 248 CO -0.13 0.98 -0.50 -0.07 1.06 0.00 0.00 176.91 178.26 1ffu h LEU 249 N 0.73 0.00 0.00 1.22 3.38 -1.23 -3.29 115.31 116.13 1ffu h LEU 249 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ffu h LEU 249 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1ffu h LEU 249 CO 0.06 0.50 -1.66 -1.54 0.09 0.00 0.00 178.44 175.88 1ffu n SER 250 N -3.66 0.29 0.00 -0.43 3.41 -0.54 -4.98 113.62 107.71 1ffu n SER 250 Ca -0.01 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 1ffu n SER 250 Cb 0.57 1.58 0.00 0.00 -0.26 0.00 0.00 64.21 66.09 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 1.29 1.61 3.69 5.00 0.00 -0.03 -5.00 105.19 111.75 1ffu n GLY 251 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.47 4.59 0.16 -0.61 1.01 -1.19 -4.97 121.20 116.72 1ffu s ILE 252 Ca 0.00 1.88 -0.34 0.00 0.00 0.00 0.00 60.65 62.19 1ffu s ILE 252 Cb 0.00 -4.21 -0.15 0.00 0.01 0.00 0.00 42.46 38.11 1ffu s ILE 252 CO 0.00 -0.00 1.38 -0.81 0.00 0.00 0.00 174.94 175.51 1ffu n PRO 253 N 5.09 1.60 -0.35 2.79 -0.04 -1.26 -4.59 135.00 138.24 1ffu n PRO 253 Ca 0.10 0.57 0.25 0.00 -0.04 0.00 0.00 63.50 64.38 1ffu n PRO 253 Cb 0.48 -2.22 0.52 0.00 -0.04 0.00 0.00 33.50 32.23 1ffu n PRO 253 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1ffu h GLU 254 N 4.59 0.33 0.00 0.54 4.81 -1.93 0.28 114.58 123.21 1ffu h GLU 254 Ca -0.45 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1ffu h GLU 254 Cb 1.30 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1ffu h GLU 254 CO 0.79 0.22 0.00 0.66 -0.73 0.00 0.00 179.01 179.95 1ffu h SER 255 N 0.34 0.00 -0.74 1.04 4.64 -1.99 -0.83 113.55 116.02 1ffu h SER 255 Ca 0.67 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.99 1ffu h SER 255 Cb 1.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.80 1ffu h SER 255 CO -0.39 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 175.86 1ffu n LYS 256 N -2.66 2.75 -4.52 4.77 4.76 0.97 -4.85 118.16 119.39 1ffu n LYS 256 Ca 0.00 -2.68 -0.33 0.00 -2.87 0.00 0.00 58.31 52.43 1ffu n LYS 256 Cb 0.19 -1.58 -0.15 0.00 -1.84 0.00 0.00 35.03 31.65 1ffu n LYS 256 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1ffu s VAL 257 N -1.02 2.66 -0.20 -0.18 1.01 -0.32 -1.42 120.40 120.94 1ffu s VAL 257 Ca 0.49 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1ffu s VAL 257 Cb 0.26 -2.12 0.04 0.00 0.00 0.00 0.00 36.38 34.56 1ffu s VAL 257 CO 0.33 0.51 -0.11 -0.60 0.00 0.00 0.00 175.10 175.23 1ffu s ARG 258 N 0.83 2.14 -0.15 2.72 3.52 0.19 -4.88 118.95 123.32 1ffu s ARG 258 Ca -0.05 -0.85 -0.03 0.00 -0.13 0.00 0.00 55.73 54.67 1ffu s ARG 258 Cb -0.15 -2.43 -0.02 0.00 -1.56 0.00 0.00 34.95 30.79 1ffu s ARG 258 CO -0.00 -0.40 -0.05 0.42 -0.81 0.00 0.00 175.30 174.45 1ffu s ILE 259 N 1.38 3.72 -0.11 4.11 -1.09 -1.26 -1.31 121.20 126.63 1ffu s ILE 259 Ca -0.01 -0.42 -0.01 0.00 -2.23 0.00 0.00 60.65 57.98 1ffu s ILE 259 Cb -0.16 -2.62 0.04 0.00 -1.58 0.00 0.00 42.46 38.14 1ffu s ILE 259 CO -0.09 0.50 -0.01 0.54 -1.23 0.00 0.00 174.94 174.66 1ffu s VAL 260 N 0.38 0.57 -0.44 2.92 0.11 -0.70 -1.58 120.40 121.66 1ffu s VAL 260 Ca -0.05 -0.16 -0.21 0.00 -2.93 0.00 0.00 61.98 58.62 1ffu s VAL 260 Cb -0.15 -0.79 0.02 0.00 -1.53 0.00 0.00 36.38 33.94 1ffu s VAL 260 CO 0.03 0.15 0.67 -0.44 -3.33 0.00 0.00 175.10 172.19 1ffu s SER 261 N 1.88 6.34 0.00 3.54 0.01 0.79 -1.34 113.70 124.92 1ffu s SER 261 Ca 0.03 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.01 1ffu s SER 261 Cb -0.14 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1ffu s SER 261 CO -0.07 -0.81 0.00 -0.81 0.41 0.00 0.00 173.24 171.97 1ffu n PRO 262 N 6.36 3.47 -2.39 12.44 -0.04 -1.26 -4.45 135.00 149.12 1ffu n PRO 262 Ca -0.01 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 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 7.08 -0.10 3.54 1.01 -0.12 -5.01 116.67 122.06 1ffu s ASP 263 Ca 0.00 2.15 0.02 0.00 0.71 0.00 0.00 52.55 55.43 1ffu s ASP 263 Cb 0.00 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 1ffu s ASP 263 CO 0.00 -0.41 -0.18 -0.63 0.21 0.00 0.00 175.17 174.16 1ffu s ILE 264 N 0.42 2.62 -1.57 0.77 1.01 -1.26 -4.16 121.20 119.03 1ffu s ILE 264 Ca 0.55 -0.83 -0.10 0.00 0.00 0.00 0.00 60.65 60.27 1ffu s ILE 264 Cb -0.31 -2.05 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 1ffu s ILE 264 CO 0.33 0.55 2.82 0.61 0.00 0.00 0.00 174.94 179.25 1ffu n GLY 265 N 3.27 4.39 0.00 6.18 0.00 -1.26 -4.38 105.19 113.39 1ffu n GLY 265 Ca -0.18 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 3.39 -1.55 1.13 -0.02 0.00 -1.04 -3.05 105.19 104.05 1ffu n GLY 266 Ca 0.74 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.22 -0.05 2.80 -0.02 0.00 -1.26 -4.82 105.19 101.61 1ffu n GLY 267 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.41 0.00 0.00 1.61 3.72 -1.26 -1.31 117.46 116.81 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 -2.21 0.00 0.00 -0.94 0.00 0.00 39.48 36.33 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 0.23 2.97 0.25 1.37 0.00 -1.26 0.15 105.19 108.89 1ffu n GLY 269 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.63 1.61 -1.24 -1.51 -3.16 115.58 110.65 1ffu h ASN 270 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.69 1ffu h ASN 270 Cb 0.00 0.00 -0.19 0.00 0.73 0.00 0.00 38.32 38.86 1ffu h ASN 270 CO 0.00 0.17 0.23 0.29 -1.29 0.00 0.00 177.43 176.83 1ffu n LYS 271 N -3.69 2.10 0.01 6.67 5.02 -1.25 -4.53 118.16 122.49 1ffu n LYS 271 Ca -0.02 -3.11 -0.21 0.00 -2.02 0.00 0.00 58.31 52.95 1ffu n LYS 271 Cb 0.29 -1.98 -0.14 0.00 -0.02 0.00 0.00 35.03 33.18 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 1.08 1.06 -4.32 -0.18 2.07 -1.86 0.35 116.25 114.45 1ffu h VAL 272 Ca 0.39 -2.41 -0.48 0.00 0.82 0.00 0.00 66.70 65.02 1ffu h VAL 272 Cb 2.18 2.75 0.08 0.00 -1.52 0.00 0.00 31.29 34.78 1ffu h VAL 272 CO 0.69 0.71 0.36 -0.83 0.02 0.00 0.00 177.57 178.52 1ffu s GLY 273 N -4.93 1.62 -0.26 2.17 0.00 -1.26 -4.63 107.32 100.03 1ffu s GLY 273 Ca -0.19 -0.53 -0.14 0.00 0.00 0.00 0.00 44.72 43.86 1ffu s GLY 273 CO 0.77 -0.14 0.33 -0.42 0.00 0.00 0.00 173.10 173.65 1ffu s ILE 274 N -3.35 5.21 0.10 0.90 1.01 -1.26 -4.98 121.20 118.83 1ffu s ILE 274 Ca 0.59 0.50 0.01 0.00 0.00 0.00 0.00 60.65 61.75 1ffu s ILE 274 Cb -0.11 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1ffu s ILE 274 CO 0.49 0.20 0.24 -0.31 0.00 0.00 0.00 174.94 175.56 1ffu s TYR 275 N 1.82 3.50 0.57 3.97 2.02 -1.26 -4.99 117.35 122.99 1ffu s TYR 275 Ca 0.14 0.20 0.29 0.00 -0.37 0.00 0.00 57.07 57.33 1ffu s TYR 275 Cb -0.15 -1.72 1.46 0.00 -0.40 0.00 0.00 41.96 41.14 1ffu s TYR 275 CO 0.09 0.56 1.88 -1.00 -1.57 0.00 0.00 175.55 175.51 1ffu h PRO 276 N 2.71 0.00 -0.96 -1.71 0.13 -1.87 -0.56 132.00 129.73 1ffu h PRO 276 Ca -0.46 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1ffu h PRO 276 Cb 1.17 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 1ffu h PRO 276 CO 0.73 0.00 0.64 0.78 -0.23 0.00 0.00 178.00 179.92 1ffu h GLY 277 N 0.00 1.36 0.57 1.56 0.00 -1.94 -0.12 103.07 104.50 1ffu h GLY 277 Ca 0.28 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 1ffu h GLY 277 CO -0.00 0.49 -0.00 -0.97 0.00 0.00 0.00 176.54 176.05 1ffu h TYR 278 N 1.30 -0.01 -0.89 5.60 0.05 -1.50 -2.24 116.97 119.28 1ffu h TYR 278 Ca 0.36 -0.00 0.08 0.00 0.05 0.00 0.00 58.73 59.22 1ffu h TYR 278 Cb -0.13 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 37.54 1ffu h TYR 278 CO -0.00 0.41 0.54 0.28 -1.05 0.00 0.00 178.16 178.34 1ffu h VAL 279 N -0.44 0.98 -0.48 -2.88 2.07 -1.43 -1.16 116.25 112.91 1ffu h VAL 279 Ca -0.00 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 1ffu h VAL 279 Cb 0.43 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1ffu h VAL 279 CO 0.00 0.17 0.03 0.00 0.02 0.00 0.00 177.57 177.79 1ffu h ALA 281 N 0.94 0.60 -0.15 0.00 0.00 -0.84 0.27 119.26 120.08 1ffu h ALA 281 Ca 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ffu h ALA 281 Cb 0.46 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1ffu h ALA 281 CO 0.02 0.23 0.09 0.82 0.00 0.00 0.00 179.25 180.41 1ffu h ILE 282 N 0.60 1.03 -0.39 0.00 2.04 -1.12 0.19 117.51 119.85 1ffu h ILE 282 Ca 0.15 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.95 1ffu h ILE 282 Cb 0.24 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1ffu h ILE 282 CO -0.01 0.03 0.25 0.58 0.00 0.00 0.00 178.15 179.01 1ffu h VAL 283 N 0.19 1.08 -0.78 1.67 2.07 -1.09 -0.81 116.25 118.57 1ffu h VAL 283 Ca 0.05 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1ffu h VAL 283 Cb -0.02 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 1ffu h VAL 283 CO -0.02 0.09 0.49 0.00 0.02 0.00 0.00 177.57 178.16 1ffu h ALA 284 N 1.16 0.99 -0.50 1.67 0.00 -0.61 -1.05 119.26 120.93 1ffu h ALA 284 Ca 0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1ffu h ALA 284 Cb -0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1ffu h ALA 284 CO -0.05 0.44 0.20 1.03 0.00 0.00 0.00 179.25 180.87 1ffu h SER 285 N 1.07 0.68 -0.64 0.00 0.87 -0.08 -0.43 113.55 115.01 1ffu h SER 285 Ca 0.28 -0.17 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 1ffu h SER 285 Cb -0.08 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.67 1ffu h SER 285 CO -0.06 0.66 0.21 0.40 -0.53 0.00 0.00 176.83 177.52 1ffu h ILE 286 N 0.66 1.24 -0.10 2.23 2.04 -0.80 0.73 117.51 123.50 1ffu h ILE 286 Ca 0.17 -0.84 -0.23 0.00 1.00 0.00 0.00 64.86 64.95 1ffu h ILE 286 Cb 0.19 0.51 0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1ffu h ILE 286 CO -0.01 0.33 -0.84 0.58 0.00 0.00 0.00 178.15 178.20 1ffu h VAL 287 N 0.98 1.29 -0.01 1.67 2.07 -0.93 -3.28 116.25 118.05 1ffu h VAL 287 Ca 0.22 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 65.66 1ffu h VAL 287 Cb 0.27 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1ffu h VAL 287 CO -0.01 0.65 -0.34 0.18 0.02 0.00 0.00 177.57 178.07 1ffu n LEU 288 N -3.90 1.06 -2.39 2.57 4.77 -0.19 -4.96 117.00 113.96 1ffu n LEU 288 Ca -0.08 -0.29 -0.19 0.00 -0.03 0.00 0.00 56.01 55.42 1ffu n LEU 288 Cb 0.78 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.75 1ffu n LEU 288 CO 0.53 0.21 -0.14 0.61 -1.33 0.00 0.00 177.39 177.26 1ffu n GLY 289 N 1.38 -0.41 3.65 -0.72 0.00 0.23 -4.98 105.19 104.34 1ffu n GLY 289 Ca 0.11 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 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 -5.20 1.54 0.30 1.61 1.70 -1.11 -4.75 118.95 113.04 1ffu s ARG 290 Ca 0.11 -0.79 -0.30 0.00 -0.47 0.00 0.00 55.73 54.28 1ffu s ARG 290 Cb -0.05 0.59 -0.12 0.00 -0.57 0.00 0.00 34.95 34.80 1ffu s ARG 290 CO 0.14 -0.69 1.60 -2.30 -1.08 0.00 0.00 175.30 172.97 1ffu n PRO 291 N -0.41 2.72 -4.15 3.89 -0.02 -1.26 -4.41 135.00 131.36 1ffu n PRO 291 Ca -0.09 0.97 -0.27 0.00 -2.02 0.00 0.00 63.50 62.08 1ffu n PRO 291 Cb 0.62 -2.75 -0.17 0.00 -0.02 0.00 0.00 33.50 31.18 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 -0.07 1.24 -0.13 -1.45 1.01 -0.13 -0.01 120.40 120.87 1ffu s VAL 292 Ca 0.63 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 62.09 1ffu s VAL 292 Cb -0.49 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1ffu s VAL 292 CO 0.49 0.40 0.11 -0.75 0.00 0.00 0.00 175.10 175.35 1ffu s LYS 293 N 1.34 3.51 -0.07 2.72 2.20 0.17 -1.21 119.74 128.40 1ffu s LYS 293 Ca -0.01 -0.21 -0.01 0.00 -0.36 0.00 0.00 55.97 55.38 1ffu s LYS 293 Cb -0.14 -3.15 0.03 0.00 -1.51 0.00 0.00 37.83 33.06 1ffu s LYS 293 CO -0.05 0.65 -0.02 -0.46 -0.36 0.00 0.00 175.35 175.11 1ffu s TRP 294 N -0.68 0.79 -0.13 4.03 -0.00 0.30 -0.91 118.94 122.33 1ffu s TRP 294 Ca 0.13 -0.25 -0.04 0.00 -0.00 0.00 0.00 56.10 55.94 1ffu s TRP 294 Cb -0.12 -0.83 0.05 0.00 -0.00 0.00 0.00 33.47 32.58 1ffu s TRP 294 CO 0.03 -0.32 0.07 0.08 -0.00 0.00 0.00 176.95 176.80 1ffu s VAL 295 N 1.70 -0.00 0.63 5.86 1.01 -1.26 -0.00 120.40 128.34 1ffu s VAL 295 Ca 0.01 -0.02 -0.14 0.00 0.00 0.00 0.00 61.98 61.84 1ffu s VAL 295 Cb -0.13 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.73 1ffu s VAL 295 CO -0.04 -0.11 1.05 -1.83 0.00 0.00 0.00 175.10 174.17 1ffu s GLU 296 N 2.11 3.23 0.47 2.72 -1.05 -0.73 -5.02 118.70 120.44 1ffu s GLU 296 Ca 0.03 1.06 -0.02 0.00 -0.15 0.00 0.00 54.97 55.88 1ffu s GLU 296 Cb -0.15 -2.03 -0.01 0.00 -0.44 0.00 0.00 34.13 31.51 1ffu s GLU 296 CO -0.07 -0.87 0.73 -0.51 0.95 0.00 0.00 175.26 175.49 1ffu s ASP 297 N -3.29 5.92 0.24 0.83 1.01 -1.26 -4.72 116.67 115.39 1ffu s ASP 297 Ca 0.60 0.53 -0.06 0.00 0.71 0.00 0.00 52.55 54.33 1ffu s ASP 297 Cb -0.14 -1.77 0.43 0.00 1.01 0.00 0.00 42.92 42.44 1ffu s ASP 297 CO 0.45 -0.71 1.67 -0.09 0.21 0.00 0.00 175.17 176.70 1ffu h ARG 298 N 0.28 0.21 -0.88 8.23 9.65 -1.97 -0.02 114.38 129.87 1ffu h ARG 298 Ca -0.47 -0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.42 1ffu h ARG 298 Cb 1.24 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 29.73 1ffu h ARG 298 CO 0.59 0.14 0.58 -0.24 2.80 0.00 0.00 179.97 183.84 1ffu h VAL 299 N 0.21 1.21 -0.42 0.20 3.04 -1.95 -1.28 116.25 117.26 1ffu h VAL 299 Ca 0.40 -0.40 -0.13 0.00 -1.01 0.00 0.00 66.70 65.56 1ffu h VAL 299 Cb 0.68 -0.06 -0.01 0.00 -2.01 0.00 0.00 31.29 29.89 1ffu h VAL 299 CO -0.53 0.21 -0.24 -0.33 -1.01 0.00 0.00 177.57 175.67 1ffu h GLU 300 N 1.16 0.91 -0.04 4.17 5.08 -1.35 -0.77 114.58 123.74 1ffu h GLU 300 Ca 0.33 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1ffu h GLU 300 Cb -0.10 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1ffu h GLU 300 CO -0.08 1.07 0.01 -0.97 -1.00 0.00 0.00 179.01 178.04 1ffu h ASN 301 N 0.73 0.06 -0.51 1.42 -1.24 -0.79 0.10 115.58 115.36 1ffu h ASN 301 Ca 0.09 -0.23 -0.08 0.00 0.71 0.00 0.00 56.30 56.79 1ffu h ASN 301 Cb 0.81 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.82 1ffu h ASN 301 CO 0.07 0.27 0.01 0.40 -1.29 0.00 0.00 177.43 176.89 1ffu h ILE 302 N -0.16 1.26 0.08 2.57 2.04 -1.26 -2.64 117.51 119.39 1ffu h ILE 302 Ca 0.01 -1.08 -0.26 0.00 1.00 0.00 0.00 64.86 64.54 1ffu h ILE 302 Cb 0.24 0.82 0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1ffu h ILE 302 CO 0.00 0.39 -1.06 0.28 0.00 0.00 0.00 178.15 177.76 1ffu h SER 303 N 0.87 0.79 0.00 1.72 0.02 -1.05 -3.42 113.55 112.48 1ffu h SER 303 Ca 0.16 -0.81 -0.01 0.00 -0.84 0.00 0.00 61.79 60.29 1ffu h SER 303 Cb 0.50 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 1ffu h SER 303 CO 0.02 1.51 -1.51 0.35 -1.14 0.00 0.00 176.83 176.07 1ffu n THR 304 N -3.91 0.05 -2.13 -2.27 -2.24 0.35 -4.65 114.28 99.48 1ffu n THR 304 Ca -0.13 -0.26 -0.27 0.00 -2.27 0.00 0.00 64.05 61.13 1ffu n THR 304 Cb 0.90 0.18 0.08 0.00 -2.10 0.00 0.00 70.33 69.39 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 -2.71 2.18 -0.22 4.28 -4.23 -1.00 -4.64 115.64 109.31 1ffu s THR 305 Ca -0.04 -0.21 -0.38 0.00 -1.18 0.00 0.00 61.69 59.88 1ffu s THR 305 Cb 0.07 -2.98 -0.14 0.00 1.34 0.00 0.00 72.50 70.79 1ffu s THR 305 CO 0.45 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 176.33 1ffu n ALA 306 N -3.07 0.21 -2.26 3.99 0.00 -1.26 -4.87 120.51 113.25 1ffu n ALA 306 Ca 0.09 0.34 -0.15 0.00 0.00 0.00 0.00 53.44 53.72 1ffu n ALA 306 Cb 0.60 -2.33 0.09 0.00 0.00 0.00 0.00 19.45 17.82 1ffu n ALA 306 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1ffu n PHE 307 N 5.93 -3.32 -4.04 0.00 1.16 -1.25 -4.53 117.46 111.41 1ffu n PHE 307 Ca 0.25 -1.05 -0.10 0.00 -1.87 0.00 0.00 57.45 54.68 1ffu n PHE 307 Cb 0.19 -0.52 -0.11 0.00 -1.61 0.00 0.00 39.48 37.42 1ffu n PHE 307 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1ffu s ALA 308 N -3.27 0.42 0.00 1.98 0.00 0.58 -1.20 121.76 120.27 1ffu s ALA 308 Ca 0.45 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1ffu s ALA 308 Cb -0.02 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.22 1ffu s ALA 308 CO 0.30 -0.14 0.00 0.54 0.00 0.00 0.00 175.76 176.46 1ffu n ARG 309 N 1.22 0.00 -2.71 0.00 5.12 -1.06 -1.24 116.66 117.99 1ffu n ARG 309 Ca -0.21 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.63 1ffu n ARG 309 Cb 0.56 0.00 0.03 0.00 -1.16 0.00 0.00 32.46 31.89 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 5.99 -2.70 -4.51 0.55 -0.08 -0.24 -4.78 116.55 110.78 1ffu n ASP 310 Ca 0.00 -0.23 -0.34 0.00 -1.51 0.00 0.00 54.79 52.71 1ffu n ASP 310 Cb 0.00 -2.30 -0.12 0.00 2.34 0.00 0.00 41.12 41.04 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 3.08 -0.50 -0.67 1.51 -0.90 -2.38 117.35 114.36 1ffu s TYR 311 Ca 0.09 -0.26 -0.14 0.00 -1.01 0.00 0.00 57.07 55.75 1ffu s TYR 311 Cb -0.04 -2.04 0.10 0.00 -0.11 0.00 0.00 41.96 39.87 1ffu s TYR 311 CO 0.29 -0.07 0.42 -1.01 -1.11 0.00 0.00 175.55 174.07 1ffu s HIS 312 N 0.62 3.28 0.03 2.71 3.76 -0.48 -0.95 115.29 124.27 1ffu s HIS 312 Ca -0.00 -1.27 0.01 0.00 -0.15 0.00 0.00 55.06 53.65 1ffu s HIS 312 Cb -0.14 -3.47 -0.04 0.00 1.11 0.00 0.00 32.58 30.04 1ffu s HIS 312 CO 0.02 -0.93 0.08 -1.64 -0.85 0.00 0.00 174.74 171.42 1ffu s MET 313 N 1.56 2.98 -0.38 1.40 1.00 0.29 -1.53 119.30 124.63 1ffu s MET 313 Ca 0.04 -0.58 0.02 0.00 0.00 0.00 0.00 55.69 55.17 1ffu s MET 313 Cb -0.27 -2.79 0.11 0.00 0.00 0.00 0.00 34.83 31.88 1ffu s MET 313 CO 0.04 0.61 0.14 -0.51 0.00 0.00 0.00 175.02 175.29 1ffu s ASP 314 N -2.02 4.22 0.12 3.03 1.01 -0.16 -0.56 116.67 122.31 1ffu s ASP 314 Ca 0.26 -2.22 -0.12 0.00 0.71 0.00 0.00 52.55 51.17 1ffu s ASP 314 Cb -0.12 -1.26 -0.06 0.00 1.01 0.00 0.00 42.92 42.49 1ffu s ASP 314 CO 0.17 -0.34 0.49 -0.83 0.21 0.00 0.00 175.17 174.86 1ffu s GLY 315 N 0.84 2.40 0.01 0.21 0.00 -0.11 -2.04 107.32 108.63 1ffu s GLY 315 Ca 0.13 -0.24 -0.00 0.00 0.00 0.00 0.00 44.72 44.60 1ffu s GLY 315 CO -0.10 0.01 -0.01 -0.54 0.00 0.00 0.00 173.10 172.45 1ffu s GLU 316 N -1.97 0.20 -0.01 2.90 2.02 -0.48 -0.60 118.70 120.76 1ffu s GLU 316 Ca 0.36 -0.36 0.00 0.00 0.02 0.00 0.00 54.97 54.99 1ffu s GLU 316 Cb -0.14 0.07 0.01 0.00 0.10 0.00 0.00 34.13 34.17 1ffu s GLU 316 CO 0.19 -0.03 0.00 -1.17 0.02 0.00 0.00 175.26 174.27 1ffu s LEU 317 N -0.89 1.63 -0.07 1.80 2.96 -0.35 -2.45 118.68 121.31 1ffu s LEU 317 Ca -0.10 -0.00 0.04 0.00 -0.22 0.00 0.00 54.13 53.85 1ffu s LEU 317 Cb -0.06 -0.08 -0.02 0.00 0.50 0.00 0.00 46.19 46.54 1ffu s LEU 317 CO -0.01 -0.04 -0.19 0.00 -1.32 0.00 0.00 176.35 174.79 1ffu s ALA 318 N 0.43 2.44 0.26 5.97 0.00 -0.36 -1.71 121.76 128.79 1ffu s ALA 318 Ca -0.04 -1.00 -0.21 0.00 0.00 0.00 0.00 51.96 50.72 1ffu s ALA 318 Cb -0.06 -0.88 0.03 0.00 0.00 0.00 0.00 23.12 22.21 1ffu s ALA 318 CO -0.01 0.44 0.69 0.00 0.00 0.00 0.00 175.76 176.88 1ffu s ALA 319 N -0.30 -1.23 0.20 0.00 0.00 -0.52 0.91 121.76 120.84 1ffu s ALA 319 Ca 0.01 -0.22 -0.09 0.00 0.00 0.00 0.00 51.96 51.67 1ffu s ALA 319 Cb -0.13 0.86 -0.07 0.00 0.00 0.00 0.00 23.12 23.79 1ffu s ALA 319 CO 0.03 -0.99 0.51 0.95 0.00 0.00 0.00 175.76 176.26 1ffu s THR 320 N -3.90 4.98 0.28 0.00 -4.23 -0.66 -1.36 115.64 110.76 1ffu s THR 320 Ca 0.10 0.40 0.07 0.00 -1.18 0.00 0.00 61.69 61.08 1ffu s THR 320 Cb -0.05 -3.62 0.07 0.00 1.34 0.00 0.00 72.50 70.24 1ffu s THR 320 CO 0.04 -0.02 1.07 1.55 -0.54 0.00 0.00 174.62 176.72 1ffu h PRO 321 N 2.68 0.00 -0.03 3.99 0.13 -1.94 0.14 132.00 136.97 1ffu h PRO 321 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ffu h PRO 321 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ffu h PRO 321 CO 0.70 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.07 1ffu n ASP 322 N -2.03 1.46 0.00 1.44 5.75 -1.26 -4.92 116.55 116.99 1ffu n ASP 322 Ca -0.00 -1.50 0.00 0.00 -0.01 0.00 0.00 54.79 53.27 1ffu n ASP 322 Cb 0.59 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 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 1.16 0.31 3.63 6.12 0.00 0.48 -5.01 105.19 111.89 1ffu n GLY 323 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1ffu n GLY 323 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ffu s LYS 324 N -0.91 3.79 0.13 1.61 2.47 -1.23 -4.84 119.74 120.76 1ffu s LYS 324 Ca 0.00 1.91 -0.30 0.00 -1.56 0.00 0.00 55.97 56.02 1ffu s LYS 324 Cb 0.00 -4.10 -0.07 0.00 -1.46 0.00 0.00 37.83 32.20 1ffu s LYS 324 CO 0.00 -1.31 1.23 0.42 0.16 0.00 0.00 175.35 175.85 1ffu s ILE 325 N 5.40 3.68 -0.05 5.43 1.01 -1.26 -1.65 121.20 133.76 1ffu s ILE 325 Ca 0.78 1.31 0.13 0.00 0.00 0.00 0.00 60.65 62.88 1ffu s ILE 325 Cb -0.30 -3.84 -0.20 0.00 0.01 0.00 0.00 42.46 38.14 1ffu s ILE 325 CO 0.32 0.16 0.23 0.18 0.00 0.00 0.00 174.94 175.82 1ffu n LEU 326 N 3.18 0.00 -3.51 2.97 4.77 0.26 -4.63 117.00 120.03 1ffu n LEU 326 Ca 0.07 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.97 1ffu n LEU 326 Cb 0.45 0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 1ffu n LEU 326 CO 0.56 0.10 0.69 -0.83 -1.33 0.00 0.00 177.39 176.58 1ffu s GLY 327 N -3.92 -0.46 -0.03 -0.72 0.00 -1.00 -3.61 107.32 97.57 1ffu s GLY 327 Ca -0.06 0.97 0.01 0.00 0.00 0.00 0.00 44.72 45.65 1ffu s GLY 327 CO 0.57 0.32 -0.02 -2.27 0.00 0.00 0.00 173.10 171.70 1ffu s LEU 328 N -2.50 1.25 -0.07 0.66 2.96 -0.58 -1.23 118.68 119.17 1ffu s LEU 328 Ca 0.05 -0.06 0.00 0.00 -0.22 0.00 0.00 54.13 53.90 1ffu s LEU 328 Cb -0.01 -0.30 0.02 0.00 0.50 0.00 0.00 46.19 46.40 1ffu s LEU 328 CO -0.09 -0.08 -0.05 -0.60 -1.32 0.00 0.00 176.35 174.21 1ffu s ARG 329 N 0.94 1.07 -0.01 1.98 3.52 -1.02 -1.54 118.95 123.90 1ffu s ARG 329 Ca -0.11 -0.13 0.04 0.00 -0.13 0.00 0.00 55.73 55.41 1ffu s ARG 329 Cb -0.14 -1.15 -0.01 0.00 -1.56 0.00 0.00 34.95 32.09 1ffu s ARG 329 CO -0.01 -0.18 -0.14 0.08 -0.81 0.00 0.00 175.30 174.24 1ffu s VAL 330 N 1.39 1.08 -0.07 7.11 1.01 -0.33 -1.39 120.40 129.20 1ffu s VAL 330 Ca -0.03 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 1ffu s VAL 330 Cb -0.13 -0.91 0.03 0.00 0.00 0.00 0.00 36.38 35.36 1ffu s VAL 330 CO -0.03 0.30 -0.03 0.20 0.00 0.00 0.00 175.10 175.53 1ffu s ASN 331 N -0.35 1.56 0.08 3.32 -0.87 -0.86 -1.55 114.94 116.27 1ffu s ASN 331 Ca 0.05 -0.15 0.08 0.00 -1.57 0.00 0.00 52.86 51.28 1ffu s ASN 331 Cb -0.05 -0.54 -0.03 0.00 -0.02 0.00 0.00 41.25 40.60 1ffu s ASN 331 CO -0.00 -0.14 -0.22 -0.69 -2.57 0.00 0.00 177.10 173.48 1ffu s VAL 332 N 1.61 1.78 -0.23 1.60 1.01 0.54 -0.99 120.40 125.72 1ffu s VAL 332 Ca 0.00 -1.44 0.02 0.00 0.00 0.00 0.00 61.98 60.56 1ffu s VAL 332 Cb -0.13 -1.58 0.04 0.00 0.00 0.00 0.00 36.38 34.71 1ffu s VAL 332 CO -0.04 0.07 -0.14 -0.69 0.00 0.00 0.00 175.10 174.30 1ffu s VAL 333 N -1.00 2.16 -0.21 2.92 1.01 -0.58 -1.39 120.40 123.31 1ffu s VAL 333 Ca 0.08 -1.36 -0.10 0.00 0.00 0.00 0.00 61.98 60.61 1ffu s VAL 333 Cb -0.10 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 1ffu s VAL 333 CO 0.03 0.19 0.12 0.00 0.00 0.00 0.00 175.10 175.45 1ffu s ALA 334 N 1.18 3.62 -0.50 5.51 0.00 0.31 -1.38 121.76 130.50 1ffu s ALA 334 Ca -0.03 -0.74 -0.18 0.00 0.00 0.00 0.00 51.96 51.00 1ffu s ALA 334 Cb -0.17 -2.16 0.06 0.00 0.00 0.00 0.00 23.12 20.85 1ffu s ALA 334 CO -0.08 0.09 0.58 0.34 0.00 0.00 0.00 175.76 176.69 1ffu s ASP 335 N 0.51 6.21 0.00 0.00 -1.08 -1.00 -0.55 116.67 120.76 1ffu s ASP 335 Ca 0.07 -0.98 0.23 0.00 -0.52 0.00 0.00 52.55 51.35 1ffu s ASP 335 Cb -0.12 -2.27 0.17 0.00 -1.46 0.00 0.00 42.92 39.24 1ffu s ASP 335 CO -0.00 -0.85 1.19 1.41 0.52 0.00 0.00 175.17 177.44 1ffu n HIS 336 N 5.99 0.00 -2.61 -5.34 8.25 -0.85 -4.88 115.22 115.78 1ffu n HIS 336 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1ffu n HIS 336 Cb 0.45 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.52 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 -1.87 0.31 -1.41 0.00 -1.25 -3.97 105.19 98.41 1ffu n GLY 337 Ca 0.09 -1.62 -0.14 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.58 -4.21 4.61 0.00 0.18 -2.73 119.26 116.54 1ffu h ALA 338 Ca 0.00 -0.09 -0.69 0.00 0.00 0.00 0.00 54.91 54.13 1ffu h ALA 338 Cb 0.00 0.39 -0.25 0.00 0.00 0.00 0.00 17.79 17.93 1ffu h ALA 338 CO 0.00 -0.86 -0.85 -0.06 0.00 0.00 0.00 179.25 177.49 1ffu s PHE 339 N -6.06 2.43 -0.79 0.00 0.08 -1.26 -4.78 117.98 107.61 1ffu s PHE 339 Ca -0.16 -0.34 -0.22 0.00 0.12 0.00 0.00 56.93 56.33 1ffu s PHE 339 Cb 0.06 -1.45 0.08 0.00 -0.57 0.00 0.00 43.02 41.14 1ffu s PHE 339 CO 0.64 0.15 1.11 0.34 -0.10 0.00 0.00 175.22 177.36 1ffu s ASP 340 N -1.18 6.34 -0.25 1.36 2.15 -1.26 -4.40 116.67 119.43 1ffu s ASP 340 Ca 0.12 -1.28 0.10 0.00 0.43 0.00 0.00 52.55 51.92 1ffu s ASP 340 Cb -0.10 -2.45 0.46 0.00 -0.30 0.00 0.00 42.92 40.53 1ffu s ASP 340 CO 0.03 -1.39 1.34 0.00 -0.17 0.00 0.00 175.17 174.97 1ffu n ALA 341 N 7.73 4.05 -2.19 3.66 0.00 -1.26 -4.11 120.51 128.39 1ffu n ALA 341 Ca 0.09 -3.26 -0.43 0.00 0.00 0.00 0.00 53.44 49.85 1ffu n ALA 341 Cb 0.48 -0.54 -0.02 0.00 0.00 0.00 0.00 19.45 19.36 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 9.01 1.79 -3.60 0.00 0.00 -1.26 -3.84 120.51 122.60 1ffu n ALA 343 Ca 0.19 0.34 -0.03 0.00 0.00 0.00 0.00 53.44 53.94 1ffu n ALA 343 Cb 0.47 -2.52 -0.02 0.00 0.00 0.00 0.00 19.45 17.38 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 2.53 -0.12 0.52 0.00 1.01 -1.26 -4.65 116.67 114.69 1ffu s ASP 344 Ca 0.83 -0.04 -0.21 0.00 0.71 0.00 0.00 52.55 53.84 1ffu s ASP 344 Cb -0.56 0.16 -0.06 0.00 1.01 0.00 0.00 42.92 43.46 1ffu s ASP 344 CO 0.40 -0.27 1.16 -2.84 0.21 0.00 0.00 175.17 173.83 1ffu s PRO 345 N -2.45 3.46 0.56 8.23 0.02 -1.26 -4.79 135.00 138.76 1ffu s PRO 345 Ca 0.10 1.73 0.26 0.00 0.02 0.00 0.00 61.00 63.12 1ffu s PRO 345 Cb 0.00 -2.16 1.47 0.00 0.02 0.00 0.00 34.50 33.83 1ffu s PRO 345 CO -0.04 -0.79 2.01 1.79 -0.33 0.00 0.00 177.00 179.63 1ffu h THR 346 N 1.43 0.61 -0.03 0.99 1.35 -1.48 -1.55 112.91 114.22 1ffu h THR 346 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1ffu h THR 346 Cb 1.26 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1ffu h THR 346 CO 0.58 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 176.14 1ffu n LYS 347 N -4.12 1.51 -3.66 4.72 5.02 -1.26 -4.58 118.16 115.79 1ffu n LYS 347 Ca 0.07 -0.75 -0.28 0.00 -2.02 0.00 0.00 58.31 55.33 1ffu n LYS 347 Cb 0.53 -1.47 -0.11 0.00 -0.02 0.00 0.00 35.03 33.96 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 -1.97 2.24 -0.69 2.13 0.40 -0.59 -4.94 117.98 114.57 1ffu s PHE 348 Ca 0.39 -2.73 0.14 0.00 -0.60 0.00 0.00 56.93 54.13 1ffu s PHE 348 Cb 0.20 -1.82 0.66 0.00 0.51 0.00 0.00 43.02 42.57 1ffu s PHE 348 CO 0.33 -0.71 1.43 -0.35 0.70 0.00 0.00 175.22 176.62 1ffu n PRO 349 N 2.67 0.08 -0.32 0.24 -0.04 -1.26 -0.99 135.00 135.38 1ffu n PRO 349 Ca 0.21 0.46 0.08 0.00 -0.04 0.00 0.00 63.50 64.20 1ffu n PRO 349 Cb 0.40 -1.70 0.14 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.63 2.63 -0.98 0.55 0.00 -1.26 -5.05 120.51 114.77 1ffu n ALA 350 Ca 0.01 -2.65 0.00 0.00 0.00 0.00 0.00 53.44 50.80 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 -1.13 3.00 2.20 0.00 0.00 -0.16 -2.73 105.19 106.37 1ffu n GLY 351 Ca 0.15 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 6.78 0.30 0.99 4.77 1.00 -4.70 117.00 126.13 1ffu n LEU 352 Ca 0.00 -4.36 0.17 0.00 -0.03 0.00 0.00 56.01 51.79 1ffu n LEU 352 Cb 0.00 -0.79 0.97 0.00 -2.33 0.00 0.00 43.42 41.27 1ffu n LEU 352 CO 0.00 1.61 1.14 0.15 -1.33 0.00 0.00 177.39 178.97 1ffu h PHE 353 N 1.96 0.00 0.00 -1.77 3.57 -1.64 -2.30 116.94 116.76 1ffu h PHE 353 Ca 0.53 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.03 1ffu h PHE 353 Cb 1.14 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.88 1ffu h PHE 353 CO 1.27 0.00 0.00 -2.39 -2.23 0.00 0.00 178.31 174.96 1ffu n HIS 354 N -3.67 0.00 -0.07 0.41 1.44 -1.26 -1.80 115.22 110.27 1ffu n HIS 354 Ca -0.02 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.80 1ffu n HIS 354 Cb 0.12 -0.05 0.29 0.00 0.12 0.00 0.00 29.99 30.47 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 0.02 0.80 0.72 0.61 0.00 -0.87 -4.38 119.36 116.26 1ffu n ILE 355 Ca 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 62.75 61.91 1ffu n ILE 355 Cb 0.11 0.65 0.24 0.00 0.00 0.00 0.00 39.64 40.64 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 -3.40 113.55 112.91 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 0.29 1.25 0.79 -0.77 0.00 -0.48 -3.22 105.19 103.05 1ffu n GLY 358 Ca 0.01 -0.67 0.04 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.20 2.22 -4.55 1.61 7.64 -1.26 -4.81 113.62 114.27 1ffu n SER 359 Ca 0.00 -2.15 -0.32 0.00 1.01 0.00 0.00 58.87 57.41 1ffu n SER 359 Cb 0.00 -0.35 -0.11 0.00 -1.01 0.00 0.00 64.21 62.74 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 -1.64 2.81 -1.19 1.43 2.02 -1.20 -1.31 117.35 118.27 1ffu s TYR 360 Ca 0.22 -0.09 -0.20 0.00 -0.37 0.00 0.00 57.07 56.63 1ffu s TYR 360 Cb 0.14 -1.59 0.05 0.00 -0.40 0.00 0.00 41.96 40.16 1ffu s TYR 360 CO 0.12 0.32 1.66 0.34 -1.57 0.00 0.00 175.55 176.42 1ffu s ASP 361 N -1.29 6.58 -0.31 2.29 -1.08 -0.41 -4.82 116.67 117.63 1ffu s ASP 361 Ca 0.16 -2.02 -0.13 0.00 -0.52 0.00 0.00 52.55 50.04 1ffu s ASP 361 Cb -0.11 -2.58 -0.03 0.00 -1.46 0.00 0.00 42.92 38.74 1ffu s ASP 361 CO 0.06 -1.43 0.25 -0.63 0.52 0.00 0.00 175.17 173.93 1ffu s ILE 362 N 5.02 5.27 0.41 4.11 1.01 -1.26 -4.93 121.20 130.84 1ffu s ILE 362 Ca 0.53 0.01 0.11 0.00 0.00 0.00 0.00 60.65 61.29 1ffu s ILE 362 Cb 0.02 -3.66 0.18 0.00 0.01 0.00 0.00 42.46 39.01 1ffu s ILE 362 CO 0.02 0.08 1.96 1.55 0.00 0.00 0.00 174.94 178.55 1ffu h PRO 363 N 8.42 0.17 -3.55 2.79 0.13 -1.82 -3.36 132.00 134.78 1ffu h PRO 363 Ca -0.32 -0.03 -0.30 0.00 -0.87 0.00 0.00 66.00 64.47 1ffu h PRO 363 Cb 1.17 -0.03 -0.34 0.00 0.13 0.00 0.00 31.00 31.93 1ffu h PRO 363 CO 0.61 0.30 -0.73 1.03 -0.23 0.00 0.00 178.00 178.98 1ffu s ARG 364 N -4.77 -0.00 0.16 0.86 0.52 -1.24 -4.79 118.95 109.69 1ffu s ARG 364 Ca -0.05 0.17 -0.17 0.00 -0.52 0.00 0.00 55.73 55.16 1ffu s ARG 364 Cb 0.16 -0.27 0.03 0.00 0.52 0.00 0.00 34.95 35.39 1ffu s ARG 364 CO 0.72 -0.16 0.46 0.00 0.02 0.00 0.00 175.30 176.34 1ffu s ALA 365 N 1.03 -0.92 -0.28 2.13 0.00 -1.26 -1.52 121.76 120.94 1ffu s ALA 365 Ca -0.09 -0.14 -0.18 0.00 0.00 0.00 0.00 51.96 51.55 1ffu s ALA 365 Cb -0.13 0.79 0.09 0.00 0.00 0.00 0.00 23.12 23.88 1ffu s ALA 365 CO -0.03 -0.72 0.76 -1.58 0.00 0.00 0.00 175.76 174.18 1ffu s HIS 366 N -3.84 -0.92 0.21 0.00 5.04 -0.59 -1.36 115.29 113.83 1ffu s HIS 366 Ca 0.07 1.90 0.10 0.00 -1.54 0.00 0.00 55.06 55.58 1ffu s HIS 366 Cb 0.00 0.53 -0.05 0.00 0.04 0.00 0.00 32.58 33.11 1ffu s HIS 366 CO -0.07 -0.46 -0.19 0.00 -2.34 0.00 0.00 174.74 171.69 1ffu s SER 368 N -3.05 -0.13 -0.09 0.00 0.15 -0.59 -2.47 113.70 107.51 1ffu s SER 368 Ca 0.22 0.91 0.03 0.00 0.70 0.00 0.00 55.95 57.80 1ffu s SER 368 Cb -0.05 1.21 -0.02 0.00 -1.71 0.00 0.00 66.02 65.46 1ffu s SER 368 CO 0.09 -0.23 -0.17 -0.69 1.20 0.00 0.00 173.24 173.44 1ffu s VAL 369 N 2.56 2.75 -0.23 4.45 1.01 0.80 -0.34 120.40 131.39 1ffu s VAL 369 Ca -0.01 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.19 1ffu s VAL 369 Cb -0.12 -2.10 0.05 0.00 0.00 0.00 0.00 36.38 34.22 1ffu s VAL 369 CO -0.12 0.55 -0.10 -0.75 0.00 0.00 0.00 175.10 174.69 1ffu s LYS 370 N -0.03 2.08 0.07 2.72 2.20 -0.49 -0.58 119.74 125.71 1ffu s LYS 370 Ca -0.05 -1.11 -0.20 0.00 -0.36 0.00 0.00 55.97 54.25 1ffu s LYS 370 Cb -0.14 -2.69 -0.07 0.00 -1.51 0.00 0.00 37.83 33.42 1ffu s LYS 370 CO 0.04 -0.52 0.59 0.20 -0.36 0.00 0.00 175.35 175.30 1ffu s GLY 371 N 1.25 2.68 0.06 5.54 0.00 -0.52 -0.53 107.32 115.80 1ffu s GLY 371 Ca -0.06 0.05 0.04 0.00 0.00 0.00 0.00 44.72 44.76 1ffu s GLY 371 CO -0.07 0.54 -0.11 -1.34 0.00 0.00 0.00 173.10 172.12 1ffu s VAL 372 N -0.96 0.84 0.33 1.40 -7.23 0.29 -0.11 120.40 114.96 1ffu s VAL 372 Ca 0.30 -1.24 -0.22 0.00 -1.81 0.00 0.00 61.98 59.01 1ffu s VAL 372 Cb -0.19 -0.89 -0.10 0.00 0.56 0.00 0.00 36.38 35.76 1ffu s VAL 372 CO 0.19 -0.33 0.87 -0.31 -0.31 0.00 0.00 175.10 175.21 1ffu s TYR 373 N -1.43 3.52 0.16 2.82 2.02 0.61 -2.02 117.35 123.04 1ffu s TYR 373 Ca -0.05 1.57 -0.15 0.00 -0.37 0.00 0.00 57.07 58.06 1ffu s TYR 373 Cb -0.09 -2.78 0.03 0.00 -0.40 0.00 0.00 41.96 38.71 1ffu s TYR 373 CO 0.01 0.13 0.42 0.95 -1.57 0.00 0.00 175.55 175.49 1ffu s THR 374 N -1.82 0.05 -1.37 -0.71 -4.23 -1.03 -4.87 115.64 101.68 1ffu s THR 374 Ca 0.53 -0.78 -0.14 0.00 -1.18 0.00 0.00 61.69 60.12 1ffu s THR 374 Cb -0.14 -1.42 -0.01 0.00 1.34 0.00 0.00 72.50 72.27 1ffu s THR 374 CO 0.19 -0.25 2.30 0.59 -0.54 0.00 0.00 174.62 176.91 1ffu n ASN 375 N -0.26 4.51 -4.11 3.99 5.03 -0.01 -0.14 115.26 124.27 1ffu n ASN 375 Ca -0.13 -2.75 -0.10 0.00 0.87 0.00 0.00 54.58 52.47 1ffu n ASN 375 Cb 0.63 -1.54 -0.09 0.00 -1.02 0.00 0.00 39.78 37.76 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 3.30 1.09 0.49 3.52 1.02 -1.25 -4.55 119.74 123.37 1ffu s LYS 376 Ca 0.52 -1.41 -0.22 0.00 0.02 0.00 0.00 55.97 54.88 1ffu s LYS 376 Cb 0.15 0.30 -0.07 0.00 -0.52 0.00 0.00 37.83 37.68 1ffu s LYS 376 CO -0.05 -0.35 1.16 0.00 -0.92 0.00 0.00 175.35 175.19 1ffu s ALA 377 N -4.05 2.87 1.04 5.17 0.00 -1.26 -0.67 121.76 124.84 1ffu s ALA 377 Ca 0.26 0.92 -0.12 0.00 0.00 0.00 0.00 51.96 53.02 1ffu s ALA 377 Cb 0.06 -3.39 0.21 0.00 0.00 0.00 0.00 23.12 20.00 1ffu s ALA 377 CO 0.04 -0.74 1.07 -2.14 0.00 0.00 0.00 175.76 174.00 1ffu s PRO 378 N -2.91 0.09 0.00 0.00 0.02 -1.26 -4.50 135.00 126.44 1ffu s PRO 378 Ca 0.67 0.97 0.00 0.00 0.02 0.00 0.00 61.00 62.66 1ffu s PRO 378 Cb -0.28 -1.66 0.00 0.00 0.02 0.00 0.00 34.50 32.58 1ffu s PRO 378 CO 0.33 -3.08 0.00 0.41 -0.33 0.00 0.00 177.00 174.33 1ffu n GLY 379 N 0.08 0.51 0.00 0.52 0.00 -1.25 -3.74 105.19 101.30 1ffu n GLY 379 Ca 0.06 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 3.45 3.36 -0.02 0.00 -0.34 -3.96 105.19 107.68 1ffu n GLY 380 Ca 0.00 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.78 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 4.48 -0.07 1.61 1.01 -1.25 -2.56 120.40 123.62 1ffu s VAL 381 Ca 0.00 -0.90 -0.31 0.00 0.00 0.00 0.00 61.98 60.77 1ffu s VAL 381 Cb 0.00 -3.51 0.13 0.00 0.00 0.00 0.00 36.38 33.00 1ffu s VAL 381 CO 0.00 -0.23 1.38 0.00 0.00 0.00 0.00 175.10 176.25 1ffu s ALA 382 N 1.53 -2.50 0.00 5.51 0.00 -1.26 -4.54 121.76 120.51 1ffu s ALA 382 Ca 0.02 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.63 1ffu s ALA 382 Cb -0.19 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.39 1ffu s ALA 382 CO 0.06 -1.09 0.00 0.98 0.00 0.00 0.00 175.76 175.71 1ffu n TYR 383 N -0.63 0.00 -1.93 0.00 4.19 0.39 -4.71 117.16 114.47 1ffu n TYR 383 Ca -0.05 0.00 0.05 0.00 3.31 0.00 0.00 57.90 61.21 1ffu n TYR 383 Cb 0.62 -0.43 0.13 0.00 0.49 0.00 0.00 39.34 40.16 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 1.43 -1.95 2.98 7.64 -1.26 -4.98 113.62 117.49 1ffu n SER 386 Ca 0.00 -3.14 -0.01 0.00 1.01 0.00 0.00 58.87 56.73 1ffu n SER 386 Cb 0.00 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 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 -0.50 -0.79 -1.20 1.43 3.72 -1.26 -4.26 117.46 114.59 1ffu n PHE 387 Ca 0.14 0.30 -0.07 0.00 -0.05 0.00 0.00 57.45 57.76 1ffu n PHE 387 Cb 0.86 -2.40 -0.03 0.00 -0.94 0.00 0.00 39.48 36.97 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 -1.40 -1.07 0.16 -1.08 5.12 -1.26 -0.00 116.66 117.13 1ffu n ARG 388 Ca -0.00 0.66 0.02 0.00 -1.93 0.00 0.00 57.85 56.59 1ffu n ARG 388 Cb 0.51 -4.66 0.27 0.00 -1.16 0.00 0.00 32.46 27.43 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 1.25 -0.21 1.55 2.07 -1.83 -2.67 116.25 116.41 1ffu h VAL 389 Ca -0.14 -1.72 0.03 0.00 0.82 0.00 0.00 66.70 65.69 1ffu h VAL 389 Cb 0.75 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 1ffu h VAL 389 CO 0.21 0.47 0.05 0.71 0.02 0.00 0.00 177.57 179.03 1ffu h THR 390 N 0.00 0.92 -0.24 2.57 1.35 -1.90 0.31 112.91 115.92 1ffu h THR 390 Ca -0.00 -0.05 -0.08 0.00 -0.55 0.00 0.00 66.41 65.73 1ffu h THR 390 Cb 0.91 0.77 -0.01 0.00 -1.73 0.00 0.00 68.15 68.09 1ffu h THR 390 CO 0.06 0.02 -0.20 -0.33 -0.25 0.00 0.00 175.52 174.83 1ffu h GLU 391 N 0.13 0.43 0.00 4.72 3.07 -1.92 -1.70 114.58 119.31 1ffu h GLU 391 Ca 0.09 -0.14 -0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1ffu h GLU 391 Cb 0.08 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 1ffu h GLU 391 CO -0.12 0.61 -0.00 0.00 -1.40 0.00 0.00 179.01 178.10 1ffu h ALA 392 N 1.40 -0.01 -0.40 3.43 0.00 -1.07 -1.20 119.26 121.42 1ffu h ALA 392 Ca 0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1ffu h ALA 392 Cb 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1ffu h ALA 392 CO 0.04 -0.34 0.16 0.28 0.00 0.00 0.00 179.25 179.38 1ffu h VAL 393 N -0.33 1.20 -0.90 0.00 2.07 -0.91 -1.90 116.25 115.48 1ffu h VAL 393 Ca -0.00 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 66.92 1ffu h VAL 393 Cb 0.32 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1ffu h VAL 393 CO 0.00 0.22 0.59 0.22 0.02 0.00 0.00 177.57 178.62 1ffu h TYR 394 N 0.49 1.13 0.73 1.57 3.20 -1.32 -1.68 116.97 121.10 1ffu h TYR 394 Ca 0.13 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 1ffu h TYR 394 Cb 0.19 -0.38 0.01 0.00 1.54 0.00 0.00 36.73 38.08 1ffu h TYR 394 CO -0.00 0.72 -0.35 1.25 -1.64 0.00 0.00 178.16 178.13 1ffu h LEU 395 N 1.22 -0.83 -0.32 2.82 7.12 -0.93 -2.16 115.31 122.23 1ffu h LEU 395 Ca 0.33 0.01 0.01 0.00 0.13 0.00 0.00 57.88 58.36 1ffu h LEU 395 Cb -0.14 0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 40.19 1ffu h LEU 395 CO -0.07 -0.52 0.20 -0.29 -0.13 0.00 0.00 178.44 177.62 1ffu h ILE 396 N -1.10 1.05 -0.54 4.05 6.09 -1.26 -1.80 117.51 124.01 1ffu h ILE 396 Ca -0.10 -0.14 -0.08 0.00 -1.37 0.00 0.00 64.86 63.18 1ffu h ILE 396 Cb 0.78 0.61 -0.02 0.00 0.47 0.00 0.00 36.82 38.66 1ffu h ILE 396 CO 0.17 0.07 0.03 -0.33 -3.07 0.00 0.00 178.15 175.02 1ffu h GLU 397 N 0.40 0.89 -0.45 2.19 4.39 -1.37 -0.10 114.58 120.53 1ffu h GLU 397 Ca 0.12 -0.24 -0.08 0.00 0.34 0.00 0.00 59.36 59.51 1ffu h GLU 397 Cb -0.02 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 1ffu h GLU 397 CO -0.05 0.87 -0.02 0.00 -1.16 0.00 0.00 179.01 178.65 1ffu h ARG 398 N 0.83 0.80 -0.74 2.33 2.47 -1.26 -2.53 114.38 116.28 1ffu h ARG 398 Ca 0.16 -0.26 -0.06 0.00 -1.26 0.00 0.00 59.98 58.56 1ffu h ARG 398 Cb 0.45 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.68 1ffu h ARG 398 CO 0.02 0.87 0.24 0.52 0.56 0.00 0.00 179.97 182.18 1ffu h MET 399 N 0.64 1.14 -0.09 0.04 2.86 -0.93 -1.00 114.93 117.60 1ffu h MET 399 Ca 0.12 -0.24 -0.05 0.00 -2.06 0.00 0.00 59.70 57.47 1ffu h MET 399 Cb 0.52 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1ffu h MET 399 CO 0.03 0.97 -0.19 0.28 1.06 0.00 0.00 176.91 179.05 1ffu h VAL 400 N 1.09 1.18 -0.24 -2.22 2.07 -0.94 0.50 116.25 117.71 1ffu h VAL 400 Ca 0.24 -0.85 -0.18 0.00 0.82 0.00 0.00 66.70 66.73 1ffu h VAL 400 Cb 0.29 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1ffu h VAL 400 CO -0.01 0.25 -0.55 0.44 0.02 0.00 0.00 177.57 177.72 1ffu h ASP 401 N 0.13 0.82 -0.28 0.57 3.32 -0.94 0.15 116.42 120.18 1ffu h ASP 401 Ca 0.02 -0.44 -0.03 0.00 0.02 0.00 0.00 57.03 56.60 1ffu h ASP 401 Cb 0.42 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1ffu h ASP 401 CO 0.03 1.20 0.05 0.58 -1.72 0.00 0.00 179.24 179.38 1ffu h VAL 402 N 0.56 1.23 -0.12 -1.35 2.07 -0.57 -1.39 116.25 116.68 1ffu h VAL 402 Ca 0.01 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1ffu h VAL 402 Cb 1.14 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1ffu h VAL 402 CO 0.11 0.25 0.07 0.25 0.02 0.00 0.00 177.57 178.28 1ffu h LEU 403 N 0.28 0.13 -1.14 2.57 5.85 -0.79 -1.95 115.31 120.27 1ffu h LEU 403 Ca 0.09 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1ffu h LEU 403 Cb 0.33 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 1ffu h LEU 403 CO 0.00 0.09 0.59 0.00 -0.34 0.00 0.00 178.44 178.79 1ffu h ALA 404 N 1.04 1.43 0.00 1.25 0.00 -0.87 -2.18 119.26 119.94 1ffu h ALA 404 Ca 0.04 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1ffu h ALA 404 Cb -0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1ffu h ALA 404 CO -0.01 0.48 -0.59 1.96 0.00 0.00 0.00 179.25 181.09 1ffu h GLN 405 N 1.12 0.00 -0.11 0.00 4.20 -0.90 0.36 115.11 119.78 1ffu h GLN 405 Ca 0.35 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.86 1ffu h GLN 405 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1ffu h GLN 405 CO -0.10 0.59 -0.77 -0.22 -0.67 0.00 0.00 178.83 177.66 1ffu h LYS 406 N 0.00 0.60 -0.00 1.46 3.64 -0.84 -2.97 116.57 118.46 1ffu h LYS 406 Ca -0.01 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1ffu h LYS 406 Cb 1.07 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1ffu h LYS 406 CO 0.08 1.12 -0.14 1.28 -2.27 0.00 0.00 179.45 179.52 1ffu n LEU 407 N -3.88 0.53 -3.32 5.20 4.77 -0.87 -4.91 117.00 114.52 1ffu n LEU 407 Ca -0.06 -0.01 -0.23 0.00 -0.03 0.00 0.00 56.01 55.68 1ffu n LEU 407 Cb 0.74 -0.19 0.06 0.00 -2.33 0.00 0.00 43.42 41.70 1ffu n LEU 407 CO 0.51 0.10 0.15 -3.20 -1.33 0.00 0.00 177.39 173.62 1ffu n ASN 408 N -0.96 -6.23 -4.77 -1.43 5.15 -0.23 -4.99 115.26 101.81 1ffu n ASN 408 Ca 0.13 -0.44 -0.32 0.00 -0.60 0.00 0.00 54.58 53.36 1ffu n ASN 408 Cb 0.29 -4.93 -0.07 0.00 -0.53 0.00 0.00 39.78 34.55 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 -6.06 2.94 0.26 1.20 1.75 0.11 -5.01 119.30 114.49 1ffu s MET 409 Ca 0.47 -0.61 -0.30 0.00 -1.25 0.00 0.00 55.69 54.00 1ffu s MET 409 Cb -0.21 -2.77 -0.11 0.00 2.84 0.00 0.00 34.83 34.59 1ffu s MET 409 CO 0.58 0.60 1.53 0.34 -0.65 0.00 0.00 175.02 177.43 1ffu s ASP 410 N -2.07 6.50 0.51 1.11 2.15 -1.26 -4.45 116.67 119.16 1ffu s ASP 410 Ca 0.26 2.81 0.34 0.00 0.43 0.00 0.00 52.55 56.39 1ffu s ASP 410 Cb -0.12 -2.63 1.68 0.00 -0.30 0.00 0.00 42.92 41.55 1ffu s ASP 410 CO 0.18 -0.82 2.03 0.11 -0.17 0.00 0.00 175.17 176.50 1ffu h LYS 411 N 5.13 0.00 0.08 4.34 1.57 -1.96 -1.46 116.57 124.27 1ffu h LYS 411 Ca -0.46 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 57.97 1ffu h LYS 411 Cb 1.22 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.50 1ffu h LYS 411 CO 0.80 0.00 -2.00 0.00 -0.57 0.00 0.00 179.45 177.69 1ffu n ALA 412 N -1.98 1.09 -0.20 3.86 0.00 -1.26 -3.92 120.51 118.10 1ffu n ALA 412 Ca -0.01 -0.70 -0.08 0.00 0.00 0.00 0.00 53.44 52.65 1ffu n ALA 412 Cb 0.16 -0.65 0.02 0.00 0.00 0.00 0.00 19.45 18.98 1ffu n ALA 412 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ffu h GLU 413 N 0.05 0.86 0.00 0.00 4.81 -1.82 -1.47 114.58 117.00 1ffu h GLU 413 Ca -0.41 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 58.61 1ffu h GLU 413 Cb 2.03 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 31.26 1ffu h GLU 413 CO 0.07 0.74 -0.24 0.97 -0.73 0.00 0.00 179.01 179.81 1ffu h ILE 414 N 0.79 0.79 0.09 2.32 2.10 -1.47 -2.12 117.51 120.01 1ffu h ILE 414 Ca 0.19 -0.96 -0.18 0.00 1.08 0.00 0.00 64.86 64.99 1ffu h ILE 414 Cb 0.20 1.59 0.02 0.00 -1.09 0.00 0.00 36.82 37.53 1ffu h ILE 414 CO -0.02 0.23 -0.76 0.03 -1.08 0.00 0.00 178.15 176.55 1ffu h ARG 415 N 0.00 0.36 0.00 2.19 3.08 -1.57 -3.02 114.38 115.41 1ffu h ARG 415 Ca -0.00 -0.51 -0.00 0.00 0.07 0.00 0.00 59.98 59.54 1ffu h ARG 415 Cb 0.57 0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 1ffu h ARG 415 CO 0.03 1.20 -0.02 0.00 -1.07 0.00 0.00 179.97 180.11 1ffu h ALA 416 N 0.18 1.45 0.00 0.04 0.00 -1.06 0.06 119.26 119.93 1ffu h ALA 416 Ca -0.12 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 1ffu h ALA 416 Cb 1.54 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1ffu h ALA 416 CO 0.15 0.02 -0.77 -0.22 0.00 0.00 0.00 179.25 178.43 1ffu h LYS 417 N 0.00 0.00 -0.00 0.00 1.63 -1.39 -3.35 116.57 113.46 1ffu h LYS 417 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1ffu h LYS 417 Cb 0.05 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1ffu h LYS 417 CO 0.00 0.77 -0.48 0.09 -3.45 0.00 0.00 179.45 176.39 1ffu n ASN 418 N -3.35 0.94 -4.63 4.20 3.02 -0.36 -4.94 115.26 110.14 1ffu n ASN 418 Ca 0.01 -0.97 -0.42 0.00 -0.03 0.00 0.00 54.58 53.17 1ffu n ASN 418 Cb 0.82 0.79 0.01 0.00 -0.61 0.00 0.00 39.78 40.79 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 -0.86 1.48 -2.25 3.10 3.72 -0.14 -1.28 117.46 121.23 1ffu n PHE 419 Ca 0.04 0.57 -0.42 0.00 -0.05 0.00 0.00 57.45 57.58 1ffu n PHE 419 Cb 0.23 -2.28 -0.03 0.00 -0.94 0.00 0.00 39.48 36.47 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 -1.21 3.79 0.55 4.37 1.01 -0.43 -4.57 121.20 124.72 1ffu s ILE 420 Ca 0.61 1.15 -0.19 0.00 0.00 0.00 0.00 60.65 62.22 1ffu s ILE 420 Cb -0.57 -3.74 -0.06 0.00 0.01 0.00 0.00 42.46 38.10 1ffu s ILE 420 CO 0.58 -0.01 1.13 -0.13 0.00 0.00 0.00 174.94 176.52 1ffu s ARG 421 N 2.46 3.31 0.32 2.79 0.52 -1.26 -4.66 118.95 122.43 1ffu s ARG 421 Ca 0.63 1.62 0.07 0.00 -0.52 0.00 0.00 55.73 57.53 1ffu s ARG 421 Cb -0.30 -2.00 0.77 0.00 0.52 0.00 0.00 34.95 33.94 1ffu s ARG 421 CO 0.26 -0.88 1.79 -0.22 0.02 0.00 0.00 175.30 176.27 1ffu h LYS 422 N 1.15 0.72 0.00 3.54 3.64 -1.93 0.45 116.57 124.13 1ffu h LYS 422 Ca -0.50 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1ffu h LYS 422 Cb 1.26 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1ffu h LYS 422 CO 0.57 0.47 0.00 0.39 -2.27 0.00 0.00 179.45 178.61 1ffu n GLU 423 N -4.71 0.07 0.00 1.90 4.71 -1.26 -2.92 120.64 118.42 1ffu n GLU 423 Ca 0.22 0.27 0.13 0.00 -0.01 0.00 0.00 57.16 57.77 1ffu n GLU 423 Cb 0.57 -1.62 0.41 0.00 -1.01 0.00 0.00 31.44 29.79 1ffu n GLU 423 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1ffu n GLN 424 N -1.75 0.17 -3.03 3.49 6.02 0.15 -4.87 117.38 117.55 1ffu n GLN 424 Ca 0.04 -0.08 -0.39 0.00 -0.01 0.00 0.00 57.00 56.56 1ffu n GLN 424 Cb 0.22 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.92 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 -2.88 3.87 -0.06 1.08 0.08 -1.15 -2.82 117.98 116.09 1ffu s PHE 425 Ca 0.15 1.56 -0.30 0.00 0.12 0.00 0.00 56.93 58.47 1ffu s PHE 425 Cb 0.18 -2.71 -0.05 0.00 -0.57 0.00 0.00 43.02 39.87 1ffu s PHE 425 CO 0.61 0.51 1.57 -1.25 -0.10 0.00 0.00 175.22 176.56 1ffu s PRO 426 N -1.23 4.20 -0.17 0.24 0.04 -1.26 -5.00 135.00 131.82 1ffu s PRO 426 Ca 0.36 2.10 -0.12 0.00 0.04 0.00 0.00 61.00 63.37 1ffu s PRO 426 Cb -0.22 -3.90 -0.05 0.00 0.04 0.00 0.00 34.50 30.37 1ffu s PRO 426 CO 0.25 -0.80 0.23 -0.47 0.04 0.00 0.00 177.00 176.25 1ffu s TYR 427 N 3.76 3.46 -0.27 0.56 5.04 -0.74 -4.89 117.35 124.28 1ffu s TYR 427 Ca 0.70 0.51 -0.10 0.00 -2.44 0.00 0.00 57.07 55.74 1ffu s TYR 427 Cb -0.32 -2.25 -0.05 0.00 0.35 0.00 0.00 41.96 39.70 1ffu s TYR 427 CO 0.27 0.31 0.16 0.99 -1.34 0.00 0.00 175.55 175.94 1ffu s THR 428 N 0.27 5.10 0.77 4.34 2.01 -1.26 0.08 115.64 126.95 1ffu s THR 428 Ca 0.14 0.10 -0.09 0.00 0.31 0.00 0.00 61.69 62.14 1ffu s THR 428 Cb -0.12 -3.42 0.08 0.00 0.01 0.00 0.00 72.50 69.05 1ffu s THR 428 CO 0.02 0.27 1.11 0.42 -0.69 0.00 0.00 174.62 175.75 1ffu s THR 429 N 1.70 2.14 0.17 -0.82 -4.23 -0.28 -4.90 115.64 109.42 1ffu s THR 429 Ca 0.07 -0.15 0.27 0.00 -1.18 0.00 0.00 61.69 60.70 1ffu s THR 429 Cb -0.16 -2.99 0.27 0.00 1.34 0.00 0.00 72.50 70.97 1ffu s THR 429 CO 0.09 0.00 1.83 0.06 -0.54 0.00 0.00 174.62 176.06 1ffu h GLN 430 N -0.87 0.00 -0.01 3.99 3.07 -1.87 0.39 115.11 119.81 1ffu h GLN 430 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.29 1ffu h GLN 430 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.87 1ffu h GLN 430 CO 0.60 0.00 -0.60 1.19 0.09 0.00 0.00 178.83 180.11 1ffu n PHE 431 N -2.52 0.00 -0.03 0.06 3.72 -1.26 -4.41 117.46 113.03 1ffu n PHE 431 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1ffu n PHE 431 Cb 0.13 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 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 1.44 0.41 3.78 1.37 0.00 0.13 -4.74 105.19 107.57 1ffu n GLY 432 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.06 3.54 -0.54 1.61 0.08 -1.26 -4.79 117.98 114.55 1ffu s PHE 433 Ca 0.00 1.73 -0.03 0.00 0.12 0.00 0.00 56.93 58.75 1ffu s PHE 433 Cb 0.00 -3.03 0.14 0.00 -0.57 0.00 0.00 43.02 39.56 1ffu s PHE 433 CO 0.00 -0.16 0.35 -2.00 -0.10 0.00 0.00 175.22 173.32 1ffu s GLU 434 N -2.13 2.36 0.09 0.44 2.12 -1.26 -1.12 118.70 119.20 1ffu s GLU 434 Ca 0.52 -2.25 -0.31 0.00 0.36 0.00 0.00 54.97 53.29 1ffu s GLU 434 Cb -0.21 -3.68 -0.10 0.00 0.26 0.00 0.00 34.13 30.39 1ffu s GLU 434 CO 0.27 -1.14 1.89 0.66 -0.54 0.00 0.00 175.26 176.40 1ffu n TYR 435 N 3.92 2.58 -0.06 5.30 4.02 0.11 -4.83 117.16 128.21 1ffu n TYR 435 Ca 0.04 -0.23 -0.11 0.00 -0.01 0.00 0.00 57.90 57.58 1ffu n TYR 435 Cb 0.39 -2.76 -0.05 0.00 -0.02 0.00 0.00 39.34 36.90 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 9.35 0.30 -4.99 7.72 3.04 -1.87 -1.97 116.42 127.99 1ffu h ASP 436 Ca -0.48 -0.27 0.13 0.00 -3.24 0.00 0.00 57.03 53.17 1ffu h ASP 436 Cb 1.23 -0.08 -0.11 0.00 -1.04 0.00 0.00 39.33 39.33 1ffu h ASP 436 CO 0.95 0.49 0.45 -0.94 -2.04 0.00 0.00 179.24 178.15 1ffu s SER 437 N -5.76 -0.29 0.00 4.15 1.04 -1.26 -4.14 113.70 107.44 1ffu s SER 437 Ca -0.14 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1ffu s SER 437 Cb 0.07 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1ffu s SER 437 CO 0.72 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1ffu n GLY 438 N -0.37 0.72 2.75 7.32 0.00 -1.26 -4.88 105.19 109.47 1ffu n GLY 438 Ca -0.08 -0.76 -0.06 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.06 -0.00 1.61 -0.08 -1.26 -4.46 116.55 109.30 1ffu n ASP 439 Ca 0.00 -2.94 -0.09 0.00 -1.51 0.00 0.00 54.79 50.25 1ffu n ASP 439 Cb 0.00 1.70 0.06 0.00 2.34 0.00 0.00 41.12 45.22 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 4.48 0.72 -0.28 -0.67 0.05 -1.97 -3.23 116.97 116.06 1ffu h TYR 440 Ca -0.04 -0.25 -0.01 0.00 0.05 0.00 0.00 58.73 58.48 1ffu h TYR 440 Cb 1.08 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.67 1ffu h TYR 440 CO 0.05 0.98 0.12 0.45 -1.05 0.00 0.00 178.16 178.70 1ffu h HIS 441 N 0.45 0.42 -0.27 4.88 3.86 -1.97 -0.44 115.15 122.09 1ffu h HIS 441 Ca 0.01 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1ffu h HIS 441 Cb 1.07 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.40 1ffu h HIS 441 CO 0.05 0.42 0.15 1.15 0.86 0.00 0.00 177.93 180.55 1ffu h THR 442 N 0.31 1.12 -0.73 2.45 2.02 -2.01 -0.94 112.91 115.14 1ffu h THR 442 Ca 0.09 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1ffu h THR 442 Cb 0.17 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 1ffu h THR 442 CO -0.01 0.12 0.47 0.00 0.37 0.00 0.00 175.52 176.47 1ffu h ALA 443 N 1.02 0.92 0.07 6.16 0.00 -1.55 -1.83 119.26 124.05 1ffu h ALA 443 Ca 0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ffu h ALA 443 Cb 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1ffu h ALA 443 CO -0.02 0.36 -0.03 1.25 0.00 0.00 0.00 179.25 180.81 1ffu h LEU 444 N 0.99 -0.08 -0.74 0.00 5.85 -0.81 -2.34 115.31 118.17 1ffu h LEU 444 Ca 0.26 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.92 1ffu h LEU 444 Cb -0.09 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 40.89 1ffu h LEU 444 CO -0.05 0.11 0.39 0.50 -0.34 0.00 0.00 178.44 179.05 1ffu h LYS 445 N -0.27 0.65 -0.22 1.25 3.64 -0.99 -0.96 116.57 119.67 1ffu h LYS 445 Ca -0.01 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1ffu h LYS 445 Cb 0.23 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 1ffu h LYS 445 CO 0.02 0.43 -0.03 -0.22 -2.27 0.00 0.00 179.45 177.38 1ffu h LYS 446 N 0.67 0.03 -0.33 1.90 3.64 -1.14 -0.92 116.57 120.42 1ffu h LYS 446 Ca 0.36 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.71 1ffu h LYS 446 Cb 0.34 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1ffu h LYS 446 CO -0.25 0.02 0.10 0.28 -2.27 0.00 0.00 179.45 177.33 1ffu h VAL 447 N 0.03 1.21 -0.67 2.00 2.07 -0.85 -0.63 116.25 119.41 1ffu h VAL 447 Ca 0.11 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 66.98 1ffu h VAL 447 Cb 0.15 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1ffu h VAL 447 CO -0.21 0.23 0.42 -0.07 0.02 0.00 0.00 177.57 177.96 1ffu h LEU 448 N 0.38 0.69 -0.30 2.57 3.38 -0.89 -2.22 115.31 118.92 1ffu h LEU 448 Ca 0.11 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1ffu h LEU 448 Cb 0.25 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1ffu h LEU 448 CO -0.00 0.48 -0.05 0.44 0.09 0.00 0.00 178.44 179.40 1ffu h ASP 449 N 0.82 0.57 -0.82 -0.43 3.32 -1.03 -0.42 116.42 118.43 1ffu h ASP 449 Ca 0.27 -0.35 0.12 0.00 0.02 0.00 0.00 57.03 57.09 1ffu h ASP 449 Cb 0.01 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.35 1ffu h ASP 449 CO -0.10 0.78 0.53 0.00 -1.72 0.00 0.00 179.24 178.73 1ffu h ALA 450 N 0.81 1.84 -0.10 3.45 0.00 -0.69 -2.19 119.26 122.38 1ffu h ALA 450 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ffu h ALA 450 Cb 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ffu h ALA 450 CO 0.03 -0.04 0.00 1.33 0.00 0.00 0.00 179.25 180.57 1ffu n VAL 451 N -4.52 0.12 -3.41 0.00 0.24 -0.87 -4.99 118.33 104.91 1ffu n VAL 451 Ca 0.15 -0.56 -0.19 0.00 -2.04 0.00 0.00 64.34 61.69 1ffu n VAL 451 Cb 0.41 1.31 0.06 0.00 -1.47 0.00 0.00 33.84 34.15 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 1.15 -5.26 -0.25 -1.34 -0.08 -0.70 -4.74 116.55 105.33 1ffu n ASP 452 Ca 0.13 -0.77 0.06 0.00 -1.51 0.00 0.00 54.79 52.69 1ffu n ASP 452 Cb 0.51 -4.71 0.18 0.00 2.34 0.00 0.00 41.12 39.44 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 -1.43 0.14 -0.67 -0.67 3.20 -1.38 -0.43 116.97 115.73 1ffu h TYR 453 Ca -0.62 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.29 1ffu h TYR 453 Cb 1.33 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 39.62 1ffu h TYR 453 CO 0.34 -0.16 0.37 -1.00 -1.64 0.00 0.00 178.16 176.06 1ffu h PRO 454 N 0.19 0.92 -0.42 1.82 0.13 -1.90 -1.79 132.00 130.94 1ffu h PRO 454 Ca 0.42 -0.10 -0.06 0.00 -0.87 0.00 0.00 66.00 65.40 1ffu h PRO 454 Cb 0.75 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 31.68 1ffu h PRO 454 CO -0.59 0.68 0.02 0.00 -0.23 0.00 0.00 178.00 177.88 1ffu h ALA 455 N 1.47 1.25 -0.56 -0.56 0.00 -1.45 -0.13 119.26 119.29 1ffu h ALA 455 Ca 0.24 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1ffu h ALA 455 Cb 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1ffu h ALA 455 CO -0.04 0.51 -0.06 -0.07 0.00 0.00 0.00 179.25 179.58 1ffu h LEU 456 N 0.63 1.02 -0.63 0.00 3.38 -0.76 -0.34 115.31 118.61 1ffu h LEU 456 Ca 0.13 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 1ffu h LEU 456 Cb 0.37 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1ffu h LEU 456 CO 0.01 1.11 0.01 0.03 0.09 0.00 0.00 178.44 179.69 1ffu h ARG 457 N 0.91 1.08 -0.60 1.13 2.47 -0.76 -0.05 114.38 118.55 1ffu h ARG 457 Ca 0.15 -0.34 -0.06 0.00 -1.26 0.00 0.00 59.98 58.47 1ffu h ARG 457 Cb 0.62 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.82 1ffu h ARG 457 CO 0.04 1.05 0.15 0.00 0.56 0.00 0.00 179.97 181.76 1ffu h ALA 458 N 1.00 1.12 -0.19 0.04 0.00 -0.76 -1.06 119.26 119.42 1ffu h ALA 458 Ca 0.18 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1ffu h ALA 458 Cb 0.56 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ffu h ALA 458 CO 0.03 0.59 -0.10 1.49 0.00 0.00 0.00 179.25 181.26 1ffu h GLU 459 N 0.90 0.40 -0.54 0.00 4.81 -0.73 -2.53 114.58 116.88 1ffu h GLU 459 Ca 0.19 -0.18 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1ffu h GLU 459 Cb 0.32 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 1ffu h GLU 459 CO -0.00 0.71 0.36 0.37 -0.73 0.00 0.00 179.01 179.71 1ffu h GLN 460 N 0.08 0.64 -0.62 1.92 4.15 -0.75 -1.71 115.11 118.82 1ffu h GLN 460 Ca 0.04 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.33 1ffu h GLN 460 Cb 0.59 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 1ffu h GLN 460 CO 0.03 0.43 0.02 0.00 -1.93 0.00 0.00 178.83 177.37 1ffu h ALA 461 N 1.68 0.83 0.10 3.38 0.00 -1.03 -2.65 119.26 121.58 1ffu h ALA 461 Ca 0.21 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ffu h ALA 461 Cb 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1ffu h ALA 461 CO -0.05 0.66 -0.05 0.00 0.00 0.00 0.00 179.25 179.81 1ffu h ALA 462 N 1.00 -0.14 -0.56 0.00 0.00 -0.89 -2.46 119.26 116.21 1ffu h ALA 462 Ca 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ffu h ALA 462 Cb 0.54 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1ffu h ALA 462 CO 0.03 -0.51 0.31 0.00 0.00 0.00 0.00 179.25 179.08 1ffu h ARG 463 N -0.27 0.76 0.00 0.00 3.08 -1.48 -1.74 114.38 114.73 1ffu h ARG 463 Ca -0.01 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 1ffu h ARG 463 Cb 0.22 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1ffu h ARG 463 CO 0.02 0.56 -0.32 0.00 -1.07 0.00 0.00 179.97 179.16 1ffu h ARG 464 N 0.77 0.00 -0.36 0.04 3.08 -1.35 -2.97 114.38 113.59 1ffu h ARG 464 Ca 0.20 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.15 1ffu h ARG 464 Cb 0.01 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1ffu h ARG 464 CO -0.03 0.32 -0.20 0.00 -1.07 0.00 0.00 179.97 178.99 1ffu h ALA 465 N 1.68 0.98 -2.14 0.04 0.00 -0.83 -3.40 119.26 115.58 1ffu h ALA 465 Ca -0.00 -0.35 -0.62 0.00 0.00 0.00 0.00 54.91 53.94 1ffu h ALA 465 Cb 0.63 -0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.15 1ffu h ALA 465 CO 0.04 0.60 0.36 0.34 0.00 0.00 0.00 179.25 180.60 1ffu s ASP 466 N -6.76 6.50 0.13 0.00 3.68 -1.12 -4.91 116.67 114.19 1ffu s ASP 466 Ca -0.09 0.21 0.14 0.00 2.13 0.00 0.00 52.55 54.94 1ffu s ASP 466 Cb 0.13 -2.39 0.65 0.00 -1.45 0.00 0.00 42.92 39.86 1ffu s ASP 466 CO 0.82 -0.79 1.44 -2.65 0.13 0.00 0.00 175.17 174.12 1ffu n PRO 467 N 6.51 0.07 -0.28 4.34 -0.02 -1.26 -2.32 135.00 142.04 1ffu n PRO 467 Ca 0.03 0.44 0.08 0.00 -2.02 0.00 0.00 63.50 62.03 1ffu n PRO 467 Cb 0.48 -1.68 0.23 0.00 -0.02 0.00 0.00 33.50 32.51 1ffu n PRO 467 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ffu n ASN 468 N -1.83 3.45 -4.66 2.55 5.03 -1.26 -4.97 115.26 113.56 1ffu n ASN 468 Ca 0.01 -2.04 -0.42 0.00 0.87 0.00 0.00 54.58 53.00 1ffu n ASN 468 Cb 0.11 -0.36 -0.03 0.00 -1.02 0.00 0.00 39.78 38.48 1ffu n ASN 468 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1ffu s SER 469 N -1.02 6.56 0.32 6.41 0.15 -0.98 -4.85 113.70 120.30 1ffu s SER 469 Ca 0.35 2.46 0.22 0.00 0.70 0.00 0.00 55.95 59.69 1ffu s SER 469 Cb 0.19 -2.53 1.19 0.00 -1.71 0.00 0.00 66.02 63.15 1ffu s SER 469 CO 0.23 -0.99 1.68 -0.81 1.20 0.00 0.00 173.24 174.55 1ffu n PRO 470 N 7.21 0.14 -4.06 5.44 -0.04 -1.26 -4.74 135.00 137.70 1ffu n PRO 470 Ca 0.18 0.63 -0.11 0.00 -0.04 0.00 0.00 63.50 64.17 1ffu n PRO 470 Cb 0.42 -1.97 -0.11 0.00 -0.04 0.00 0.00 33.50 31.80 1ffu n PRO 470 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ffu s THR 471 N -3.55 0.41 -0.04 0.52 -4.23 -1.26 -2.41 115.64 105.07 1ffu s THR 471 Ca -0.02 -1.22 -0.08 0.00 -1.18 0.00 0.00 61.69 59.19 1ffu s THR 471 Cb 0.06 -0.74 -0.05 0.00 1.34 0.00 0.00 72.50 73.12 1ffu s THR 471 CO 0.21 -0.54 0.24 -0.76 -0.54 0.00 0.00 174.62 173.23 1ffu s LEU 472 N -1.87 4.40 -0.16 4.79 1.43 -0.36 -4.89 118.68 122.01 1ffu s LEU 472 Ca -0.07 0.58 -0.04 0.00 -1.03 0.00 0.00 54.13 53.57 1ffu s LEU 472 Cb -0.06 -2.42 -0.03 0.00 0.03 0.00 0.00 46.19 43.71 1ffu s LEU 472 CO -0.02 0.33 -0.04 -0.32 0.23 0.00 0.00 176.35 176.54 1ffu s MET 473 N -1.37 3.65 -0.02 1.70 -2.45 -1.26 -0.84 119.30 118.72 1ffu s MET 473 Ca 0.22 -0.53 0.05 0.00 -1.25 0.00 0.00 55.69 54.18 1ffu s MET 473 Cb -0.13 -2.93 -0.01 0.00 1.25 0.00 0.00 34.83 33.01 1ffu s MET 473 CO 0.11 0.20 -0.16 0.20 1.05 0.00 0.00 175.02 176.42 1ffu s GLY 474 N 0.47 0.80 -0.11 2.11 0.00 -0.27 -4.15 107.32 106.17 1ffu s GLY 474 Ca -0.03 -0.68 0.02 0.00 0.00 0.00 0.00 44.72 44.03 1ffu s GLY 474 CO 0.03 -0.54 -0.18 -0.42 0.00 0.00 0.00 173.10 171.99 1ffu s ILE 475 N -0.31 1.70 -0.05 0.90 1.01 -1.25 -0.32 121.20 122.89 1ffu s ILE 475 Ca 0.05 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 59.97 1ffu s ILE 475 Cb -0.07 -1.52 -0.02 0.00 0.01 0.00 0.00 42.46 40.86 1ffu s ILE 475 CO -0.00 0.48 -0.20 -0.83 0.00 0.00 0.00 174.94 174.39 1ffu s GLY 476 N 0.78 1.40 -0.05 6.18 0.00 0.19 -4.32 107.32 111.50 1ffu s GLY 476 Ca -0.10 -1.03 -0.00 0.00 0.00 0.00 0.00 44.72 43.58 1ffu s GLY 476 CO 0.01 -0.77 -0.01 -2.27 0.00 0.00 0.00 173.10 170.06 1ffu s LEU 477 N -0.53 0.96 -0.06 0.66 2.96 -1.26 -0.49 118.68 120.92 1ffu s LEU 477 Ca 0.07 -0.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.95 1ffu s LEU 477 Cb -0.11 -0.34 0.01 0.00 0.50 0.00 0.00 46.19 46.24 1ffu s LEU 477 CO 0.01 -0.13 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.07 1ffu s VAL 478 N 1.36 1.34 -0.31 1.68 1.01 0.81 -4.95 120.40 121.34 1ffu s VAL 478 Ca -0.05 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1ffu s VAL 478 Cb -0.13 -1.19 0.09 0.00 0.00 0.00 0.00 36.38 35.16 1ffu s VAL 478 CO -0.02 0.40 0.05 0.42 0.00 0.00 0.00 175.10 175.95 1ffu s THR 479 N 0.46 1.61 0.32 3.92 -4.23 -1.26 -0.36 115.64 116.10 1ffu s THR 479 Ca -0.13 -1.81 0.10 0.00 -1.18 0.00 0.00 61.69 58.68 1ffu s THR 479 Cb -0.15 -2.15 -0.06 0.00 1.34 0.00 0.00 72.50 71.48 1ffu s THR 479 CO 0.04 -0.56 -0.12 0.72 -0.54 0.00 0.00 174.62 174.17 1ffu s PHE 480 N 1.26 2.39 -0.11 3.99 -0.71 -0.74 -4.55 117.98 119.51 1ffu s PHE 480 Ca 0.08 -0.42 -0.00 0.00 -1.04 0.00 0.00 56.93 55.55 1ffu s PHE 480 Cb -0.18 -1.25 0.02 0.00 -1.21 0.00 0.00 43.02 40.40 1ffu s PHE 480 CO -0.15 0.62 -0.09 0.99 -1.34 0.00 0.00 175.22 175.26 1ffu s THR 481 N -2.55 1.07 0.45 -4.49 2.01 -1.26 -1.91 115.64 108.95 1ffu s THR 481 Ca 0.32 -0.33 -0.00 0.00 0.31 0.00 0.00 61.69 61.99 1ffu s THR 481 Cb -0.01 -1.06 -0.01 0.00 0.01 0.00 0.00 72.50 71.43 1ffu s THR 481 CO 0.16 0.37 0.67 -1.61 -0.69 0.00 0.00 174.62 173.53 1ffu s GLU 482 N 1.56 3.14 -0.37 4.92 0.41 0.83 -4.90 118.70 124.28 1ffu s GLU 482 Ca 0.02 -0.41 0.01 0.00 -0.41 0.00 0.00 54.97 54.19 1ffu s GLU 482 Cb -0.13 -2.55 0.12 0.00 -1.78 0.00 0.00 34.13 29.79 1ffu s GLU 482 CO -0.07 -0.23 0.17 0.08 -0.49 0.00 0.00 175.26 174.72 1ffu s VAL 483 N -2.56 1.11 0.07 2.63 1.01 -1.26 -3.59 120.40 117.82 1ffu s VAL 483 Ca 0.47 -1.99 0.09 0.00 0.00 0.00 0.00 61.98 60.55 1ffu s VAL 483 Cb -0.10 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1ffu s VAL 483 CO 0.38 -0.80 -0.25 0.68 0.00 0.00 0.00 175.10 175.12 1ffu s VAL 484 N 0.96 2.00 0.00 2.92 -7.23 -0.01 -4.87 120.40 114.18 1ffu s VAL 484 Ca 0.14 -1.45 0.00 0.00 -1.81 0.00 0.00 61.98 58.86 1ffu s VAL 484 Cb -0.21 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 34.98 1ffu s VAL 484 CO -0.11 0.21 0.00 0.61 -0.31 0.00 0.00 175.10 175.51 1ffu n GLY 485 N 1.50 0.83 3.46 2.32 0.00 -1.25 -0.35 105.19 111.72 1ffu n GLY 485 Ca -0.18 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.35 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 1.17 0.11 4.61 0.00 -1.26 -4.62 120.51 120.51 1ffu n ALA 486 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1ffu n ALA 486 Cb 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 16.86 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 6.46 -0.75 0.89 0.00 0.00 -1.25 -4.72 105.19 105.83 1ffu n GLY 487 Ca 0.40 0.12 -0.09 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 -3.11 0.00 -0.09 1.61 -0.02 -1.21 -3.28 135.00 128.90 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 -0.33 0.60 0.00 -0.02 0.00 0.00 33.50 33.74 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 2.96 0.20 0.16 2.55 4.64 -1.81 1.27 113.55 123.52 1ffu h SER 489 Ca -0.00 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.27 1ffu h SER 489 Cb 0.32 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1ffu h SER 489 CO 0.38 0.10 -0.23 0.07 -0.87 0.00 0.00 176.83 176.28 1ffu h LYS 490 N 0.21 0.13 0.01 4.77 2.10 -1.96 -3.32 116.57 118.52 1ffu h LYS 490 Ca 0.32 -0.04 -0.41 0.00 -2.00 0.00 0.00 60.65 58.52 1ffu h LYS 490 Cb 0.95 -0.01 -0.06 0.00 -0.90 0.00 0.00 32.23 32.20 1ffu h LYS 490 CO -0.06 0.36 -2.33 -0.12 -2.00 0.00 0.00 179.45 175.30 1ffu n MET 491 N -4.22 0.61 -4.66 0.07 0.00 0.23 -4.99 117.12 104.16 1ffu n MET 491 Ca -0.01 0.28 -0.33 0.00 0.00 0.00 0.00 57.70 57.63 1ffu n MET 491 Cb 0.32 -1.55 -0.13 0.00 0.00 0.00 0.00 33.22 31.86 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 -0.08 -0.49 -0.34 0.00 1.47 -1.26 -1.76 116.67 114.21 1ffu s ASP 493 Ca -0.00 0.66 -0.08 0.00 1.18 0.00 0.00 52.55 54.31 1ffu s ASP 493 Cb -0.14 0.67 0.03 0.00 -0.34 0.00 0.00 42.92 43.15 1ffu s ASP 493 CO 0.03 -0.42 0.13 -0.63 0.68 0.00 0.00 175.17 174.96 1ffu s ILE 494 N -0.72 4.01 -1.31 2.11 -1.09 -0.13 -1.34 121.20 122.72 1ffu s ILE 494 Ca -0.08 -1.02 -0.06 0.00 -2.23 0.00 0.00 60.65 57.26 1ffu s ILE 494 Cb -0.03 -3.25 0.04 0.00 -1.58 0.00 0.00 42.46 37.65 1ffu s ILE 494 CO 0.05 -0.17 0.43 0.18 -1.23 0.00 0.00 174.94 174.20 1ffu n LEU 495 N 4.87 -1.75 0.00 2.97 4.77 -1.26 -1.05 117.00 125.55 1ffu n LEU 495 Ca -0.12 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1ffu n LEU 495 Cb 0.45 -2.34 0.00 0.00 -2.33 0.00 0.00 43.42 39.20 1ffu n LEU 495 CO 0.33 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1ffu n GLY 496 N -1.19 2.34 3.63 -0.72 0.00 -1.26 -5.05 105.19 102.94 1ffu n GLY 496 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.64 4.93 0.34 1.61 1.01 -0.21 -4.99 120.40 120.45 1ffu s VAL 497 Ca 0.00 1.26 -0.27 0.00 0.00 0.00 0.00 61.98 62.97 1ffu s VAL 497 Cb 0.00 -4.00 -0.12 0.00 0.00 0.00 0.00 36.38 32.26 1ffu s VAL 497 CO 0.00 -0.01 1.11 0.61 0.00 0.00 0.00 175.10 176.81 1ffu n GLY 498 N 4.04 0.06 2.19 4.51 0.00 -1.26 -0.96 105.19 113.78 1ffu n GLY 498 Ca 0.01 0.28 -0.24 0.00 0.00 0.00 0.00 46.02 46.07 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 0.51 2.78 -1.71 1.61 0.00 -0.72 -4.82 117.12 114.77 1ffu n MET 499 Ca 0.08 -1.72 -0.15 0.00 0.00 0.00 0.00 57.70 55.91 1ffu n MET 499 Cb 0.35 -2.31 0.08 0.00 0.00 0.00 0.00 33.22 31.34 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 2.59 -3.24 -4.00 2.03 1.16 -1.26 -3.76 117.46 110.98 1ffu n PHE 500 Ca 0.56 -1.02 -0.10 0.00 -1.87 0.00 0.00 57.45 55.02 1ffu n PHE 500 Cb 0.61 -0.47 -0.04 0.00 -1.61 0.00 0.00 39.48 37.97 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 -3.55 0.12 0.23 5.98 -1.08 -0.95 -3.73 116.67 113.70 1ffu s ASP 501 Ca 0.41 -1.06 -0.04 0.00 -0.52 0.00 0.00 52.55 51.34 1ffu s ASP 501 Cb -0.02 0.63 -0.03 0.00 -1.46 0.00 0.00 42.92 42.04 1ffu s ASP 501 CO 0.28 -1.23 0.25 -0.94 0.52 0.00 0.00 175.17 174.05 1ffu s SER 502 N -3.07 0.19 -0.21 -0.34 1.04 -1.26 -0.23 113.70 109.83 1ffu s SER 502 Ca 0.23 -1.28 -0.18 0.00 0.48 0.00 0.00 55.95 55.20 1ffu s SER 502 Cb -0.01 0.46 0.05 0.00 0.10 0.00 0.00 66.02 66.62 1ffu s SER 502 CO 0.12 -0.96 0.55 0.00 0.98 0.00 0.00 173.24 173.92 1ffu s GLU 504 N 0.40 1.45 -0.10 0.00 2.12 -0.12 -1.03 118.70 121.42 1ffu s GLU 504 Ca -0.01 -0.25 0.03 0.00 0.36 0.00 0.00 54.97 55.10 1ffu s GLU 504 Cb -0.04 -1.47 -0.01 0.00 0.26 0.00 0.00 34.13 32.87 1ffu s GLU 504 CO -0.01 -0.21 -0.19 0.42 -0.54 0.00 0.00 175.26 174.73 1ffu s ILE 505 N 1.49 2.50 -0.15 -3.70 1.01 -0.41 -1.69 121.20 120.24 1ffu s ILE 505 Ca 0.01 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.78 1ffu s ILE 505 Cb -0.13 -1.99 0.02 0.00 0.01 0.00 0.00 42.46 40.37 1ffu s ILE 505 CO -0.05 0.55 -0.14 -0.60 0.00 0.00 0.00 174.94 174.69 1ffu s ARG 506 N 0.18 2.32 -0.12 2.79 3.52 -0.55 -1.62 118.95 125.47 1ffu s ARG 506 Ca -0.11 -0.58 -0.20 0.00 -0.13 0.00 0.00 55.73 54.70 1ffu s ARG 506 Cb -0.16 -2.14 -0.04 0.00 -1.56 0.00 0.00 34.95 31.05 1ffu s ARG 506 CO 0.06 -0.24 0.57 0.42 -0.81 0.00 0.00 175.30 175.30 1ffu s ILE 507 N 1.47 5.12 0.61 4.11 -1.09 -0.59 -1.88 121.20 128.94 1ffu s ILE 507 Ca 0.05 1.13 -0.08 0.00 -2.23 0.00 0.00 60.65 59.52 1ffu s ILE 507 Cb -0.13 -3.90 -0.00 0.00 -1.58 0.00 0.00 42.46 36.84 1ffu s ILE 507 CO -0.11 0.26 0.95 -1.00 -1.23 0.00 0.00 174.94 173.82 1ffu s HIS 508 N 0.94 3.37 0.43 3.97 3.76 -0.23 -4.52 115.29 123.01 1ffu s HIS 508 Ca 0.30 0.86 0.19 0.00 -0.15 0.00 0.00 55.06 56.26 1ffu s HIS 508 Cb -0.16 -2.75 1.13 0.00 1.11 0.00 0.00 32.58 31.91 1ffu s HIS 508 CO 0.13 -0.82 1.85 -1.35 -0.85 0.00 0.00 174.74 173.70 1ffu h PRO 509 N -0.26 0.35 -0.01 8.40 0.11 -1.88 -1.71 132.00 137.00 1ffu h PRO 509 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ffu h PRO 509 Cb 1.24 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ffu h PRO 509 CO 0.62 0.23 -0.01 0.25 -0.21 0.00 0.00 178.00 178.87 1ffu n THR 510 N -4.49 0.00 0.00 -1.15 -2.24 -1.26 -2.83 114.28 102.31 1ffu n THR 510 Ca 0.19 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1ffu n THR 510 Cb 0.74 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 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 1.18 2.41 3.79 3.38 0.00 -0.64 -4.91 105.19 110.41 1ffu n GLY 511 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.88 2.60 0.09 1.61 1.04 -1.26 -4.74 113.70 112.16 1ffu s SER 512 Ca 0.00 0.56 -0.17 0.00 0.48 0.00 0.00 55.95 56.82 1ffu s SER 512 Cb 0.00 -0.80 0.04 0.00 0.10 0.00 0.00 66.02 65.35 1ffu s SER 512 CO 0.00 -3.08 0.41 0.00 0.98 0.00 0.00 173.24 171.56 1ffu s ALA 513 N -3.47 -0.99 -0.09 5.32 0.00 -1.04 -1.07 121.76 120.43 1ffu s ALA 513 Ca 0.70 0.12 0.04 0.00 0.00 0.00 0.00 51.96 52.81 1ffu s ALA 513 Cb -0.08 0.56 -0.01 0.00 0.00 0.00 0.00 23.12 23.59 1ffu s ALA 513 CO 0.54 -0.57 -0.20 -1.50 0.00 0.00 0.00 175.76 174.02 1ffu s ILE 514 N -3.28 2.43 -0.02 0.00 2.07 -0.79 -0.84 121.20 120.78 1ffu s ILE 514 Ca -0.00 -0.91 0.03 0.00 -1.41 0.00 0.00 60.65 58.36 1ffu s ILE 514 Cb 0.01 -1.95 -0.00 0.00 0.13 0.00 0.00 42.46 40.65 1ffu s ILE 514 CO -0.08 0.56 -0.11 0.00 -1.91 0.00 0.00 174.94 173.40 1ffu s ALA 515 N 0.06 0.96 -0.00 1.50 0.00 0.27 -1.49 121.76 123.06 1ffu s ALA 515 Ca -0.08 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.47 1ffu s ALA 515 Cb -0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 1ffu s ALA 515 CO 0.05 0.19 -0.09 1.03 0.00 0.00 0.00 175.76 176.95 1ffu s ARG 516 N -0.00 0.68 0.32 0.00 0.52 -0.68 -0.36 118.95 119.43 1ffu s ARG 516 Ca -0.00 -0.33 0.05 0.00 -0.52 0.00 0.00 55.73 54.92 1ffu s ARG 516 Cb -0.07 -0.66 -0.06 0.00 0.52 0.00 0.00 34.95 34.68 1ffu s ARG 516 CO 0.00 0.18 0.02 -1.64 0.02 0.00 0.00 175.30 173.88 1ffu s MET 517 N -0.28 1.65 0.00 3.54 -1.94 -1.18 -0.95 119.30 120.14 1ffu s MET 517 Ca 0.03 -1.89 0.18 0.00 -1.71 0.00 0.00 55.69 52.29 1ffu s MET 517 Cb -0.04 -1.02 0.73 0.00 2.01 0.00 0.00 34.83 36.51 1ffu s MET 517 CO -0.00 -0.11 1.52 0.41 -0.01 0.00 0.00 175.02 176.83 1ffu n GLY 518 N -0.68 -0.04 4.01 -0.03 0.00 -0.81 -4.41 105.19 103.23 1ffu n GLY 518 Ca -0.04 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 1ffu n GLY 518 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ffu s THR 519 N -1.82 2.12 -0.27 2.61 -4.23 -1.26 -1.94 115.64 110.86 1ffu s THR 519 Ca 0.28 -0.75 -0.01 0.00 -1.18 0.00 0.00 61.69 60.03 1ffu s THR 519 Cb 0.15 -2.37 0.16 0.00 1.34 0.00 0.00 72.50 71.77 1ffu s THR 519 CO 0.22 0.00 0.46 -0.51 -0.54 0.00 0.00 174.62 174.25 1ffu s ILE 520 N -2.97 -0.74 0.63 2.99 1.10 -1.26 -3.94 121.20 117.00 1ffu s ILE 520 Ca 0.65 -0.07 -0.17 0.00 -0.51 0.00 0.00 60.65 60.55 1ffu s ILE 520 Cb -0.05 -0.90 -0.02 0.00 0.15 0.00 0.00 42.46 41.65 1ffu s ILE 520 CO 0.42 -0.10 1.13 0.28 -2.11 0.00 0.00 174.94 174.57 1ffu s THR 521 N 2.65 3.10 -0.09 4.00 -1.32 -1.26 -4.33 115.64 118.39 1ffu s THR 521 Ca 0.15 0.57 0.13 0.00 -1.21 0.00 0.00 61.69 61.34 1ffu s THR 521 Cb -0.15 -3.13 0.27 0.00 -1.51 0.00 0.00 72.50 67.99 1ffu s THR 521 CO -0.19 -0.25 1.13 0.00 -2.21 0.00 0.00 174.62 173.09 1ffu n GLN 522 N -2.05 0.76 0.00 7.08 3.00 -1.26 -4.59 117.38 120.32 1ffu n GLN 522 Ca 0.11 -2.22 0.00 0.00 -0.01 0.00 0.00 57.00 54.89 1ffu n GLN 522 Cb 0.51 -0.97 0.00 0.00 0.00 0.00 0.00 30.24 29.78 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 -0.61 0.71 0.00 1.08 0.00 -1.26 -2.50 105.19 102.62 1ffu n GLY 523 Ca 0.10 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 0.97 -1.02 1.61 0.00 -1.26 -4.90 117.38 112.78 1ffu n GLN 524 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 1ffu n GLN 524 Cb 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 30.24 29.02 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 0.68 0.62 0.32 2.61 0.00 -1.26 -4.96 105.19 103.20 1ffu n GLY 525 Ca 0.10 -0.77 0.05 0.00 0.00 0.00 0.00 46.02 45.40 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 0.93 0.00 1.61 3.86 -1.98 -0.41 115.15 119.16 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 0.27 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1ffu h HIS 526 CO 0.00 0.36 0.00 1.96 0.86 0.00 0.00 177.93 181.11 1ffu h GLN 527 N 0.84 0.00 0.00 2.45 4.20 -1.94 -0.41 115.11 120.25 1ffu h GLN 527 Ca 0.43 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 59.03 1ffu h GLN 527 Cb 0.43 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1ffu h GLN 527 CO -0.26 0.00 -1.37 2.41 -0.67 0.00 0.00 178.83 178.93 1ffu n THR 528 N -2.69 1.49 -0.08 -0.54 -1.04 -0.30 -4.30 114.28 106.83 1ffu n THR 528 Ca -0.02 0.01 -0.08 0.00 -2.04 0.00 0.00 64.05 61.92 1ffu n THR 528 Cb 0.06 -2.22 -0.01 0.00 -1.82 0.00 0.00 70.33 66.35 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 -0.98 0.96 -0.91 12.58 1.35 -1.08 -1.92 112.91 122.91 1ffu h THR 529 Ca -0.18 -0.09 0.10 0.00 -0.55 0.00 0.00 66.41 65.69 1ffu h THR 529 Cb 1.14 0.67 -0.08 0.00 -1.73 0.00 0.00 68.15 68.16 1ffu h THR 529 CO -0.11 0.05 0.55 1.88 -0.25 0.00 0.00 175.52 177.64 1ffu h TYR 530 N 0.26 1.01 -0.43 4.73 -1.99 -1.31 0.66 116.97 119.90 1ffu h TYR 530 Ca 0.12 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.84 1ffu h TYR 530 Cb 0.07 -0.32 -0.02 0.00 2.00 0.00 0.00 36.73 38.46 1ffu h TYR 530 CO -0.11 0.42 0.09 0.00 -0.00 0.00 0.00 178.16 178.56 1ffu h ALA 531 N 1.48 1.36 -0.38 3.88 0.00 -1.58 -2.54 119.26 121.49 1ffu h ALA 531 Ca 0.44 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 1ffu h ALA 531 Cb 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1ffu h ALA 531 CO -0.24 0.46 -0.26 1.96 0.00 0.00 0.00 179.25 181.16 1ffu h GLN 532 N 0.62 0.78 -0.29 0.00 4.20 -0.13 0.35 115.11 120.63 1ffu h GLN 532 Ca 0.14 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.50 1ffu h GLN 532 Cb 0.26 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1ffu h GLN 532 CO -0.00 0.95 0.10 0.82 -0.67 0.00 0.00 178.83 180.03 1ffu h ILE 533 N 0.67 1.20 -0.25 2.54 2.04 -1.04 -2.78 117.51 119.88 1ffu h ILE 533 Ca 0.08 -0.62 -0.10 0.00 1.00 0.00 0.00 64.86 65.22 1ffu h ILE 533 Cb 0.78 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1ffu h ILE 533 CO 0.06 0.21 -0.26 0.40 0.00 0.00 0.00 178.15 178.56 1ffu h ILE 534 N 0.31 1.27 -0.18 -0.67 2.04 -1.31 -2.72 117.51 116.26 1ffu h ILE 534 Ca 0.09 -1.29 0.01 0.00 1.00 0.00 0.00 64.86 64.68 1ffu h ILE 534 Cb 0.23 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1ffu h ILE 534 CO -0.00 0.41 0.07 0.00 0.00 0.00 0.00 178.15 178.63 1ffu h ALA 535 N 1.29 0.21 -0.31 1.87 0.00 -0.73 -1.17 119.26 120.42 1ffu h ALA 535 Ca 0.06 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1ffu h ALA 535 Cb 0.69 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1ffu h ALA 535 CO 0.05 -0.36 -0.25 1.15 0.00 0.00 0.00 179.25 179.85 1ffu h THR 536 N 0.17 1.27 -0.05 0.00 2.02 -1.45 0.68 112.91 115.56 1ffu h THR 536 Ca 0.08 -1.32 -0.14 0.00 0.77 0.00 0.00 66.41 65.80 1ffu h THR 536 Cb 0.04 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1ffu h THR 536 CO -0.07 0.43 -0.58 -0.33 0.37 0.00 0.00 175.52 175.34 1ffu h GLU 537 N 0.54 0.15 -0.00 6.66 4.39 -1.23 -3.37 114.58 121.72 1ffu h GLU 537 Ca 0.07 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1ffu h GLU 537 Cb 0.72 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1ffu h GLU 537 CO 0.06 0.70 -0.03 1.28 -1.16 0.00 0.00 179.01 179.85 1ffu n LEU 538 N -3.87 0.96 -1.01 1.33 4.77 -0.46 -4.88 117.00 113.83 1ffu n LEU 538 Ca -0.02 -0.88 -0.10 0.00 -0.03 0.00 0.00 56.01 54.99 1ffu n LEU 538 Cb 0.60 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.67 1ffu n LEU 538 CO 0.43 0.22 -0.12 0.61 -1.33 0.00 0.00 177.39 177.20 1ffu n GLY 539 N 0.39 0.34 3.34 -0.72 0.00 0.22 -4.79 105.19 103.97 1ffu n GLY 539 Ca 0.01 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.45 3.02 0.35 -0.61 1.01 -1.19 -4.76 121.20 116.57 1ffu s ILE 540 Ca 0.00 -0.66 -0.27 0.00 0.00 0.00 0.00 60.65 59.72 1ffu s ILE 540 Cb 0.00 -2.28 -0.12 0.00 0.01 0.00 0.00 42.46 40.07 1ffu s ILE 540 CO 0.00 0.51 1.25 -0.81 0.00 0.00 0.00 174.94 175.89 1ffu n PRO 541 N 3.80 2.00 0.28 2.79 -0.04 -1.26 -4.13 135.00 138.44 1ffu n PRO 541 Ca -0.18 0.70 0.14 0.00 -0.04 0.00 0.00 63.50 64.12 1ffu n PRO 541 Cb 0.52 -2.28 0.84 0.00 -0.04 0.00 0.00 33.50 32.54 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 2.38 0.00 -0.48 3.54 4.64 -1.47 -2.75 113.55 119.41 1ffu h SER 542 Ca -0.46 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.85 1ffu h SER 542 Cb 1.29 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.36 1ffu h SER 542 CO 0.62 0.05 0.25 -0.08 -0.87 0.00 0.00 176.83 176.80 1ffu h GLU 543 N 0.00 0.72 -0.69 4.77 4.57 -1.90 -2.68 114.58 119.37 1ffu h GLU 543 Ca -0.00 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1ffu h GLU 543 Cb 0.12 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 1ffu h GLU 543 CO 0.01 0.55 0.00 1.33 -1.18 0.00 0.00 179.01 179.72 1ffu n VAL 544 N -4.38 1.40 -3.43 0.32 0.24 -1.04 -4.73 118.33 106.71 1ffu n VAL 544 Ca 0.04 -1.07 -0.44 0.00 -2.04 0.00 0.00 64.34 60.84 1ffu n VAL 544 Cb 0.12 0.29 -0.06 0.00 -1.47 0.00 0.00 33.84 32.72 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 -1.46 4.88 -0.47 1.34 1.01 -1.01 -2.48 121.20 123.01 1ffu s ILE 545 Ca 0.50 -2.08 -0.28 0.00 0.00 0.00 0.00 60.65 58.78 1ffu s ILE 545 Cb 0.29 -4.11 0.03 0.00 0.01 0.00 0.00 42.46 38.68 1ffu s ILE 545 CO 0.29 -0.90 1.09 -1.10 0.00 0.00 0.00 174.94 174.32 1ffu s GLN 546 N 0.85 3.69 0.04 2.79 -1.52 -0.02 -4.77 119.66 120.72 1ffu s GLN 546 Ca 0.10 0.49 -0.03 0.00 -1.95 0.00 0.00 55.36 53.97 1ffu s GLN 546 Cb -0.21 -3.91 -0.04 0.00 -0.22 0.00 0.00 33.01 28.63 1ffu s GLN 546 CO -0.03 -1.33 0.25 0.14 -0.25 0.00 0.00 175.29 174.07 1ffu s VAL 547 N 4.28 5.34 0.00 1.09 -7.23 -1.26 -0.57 120.40 122.06 1ffu s VAL 547 Ca 0.45 -0.09 -0.07 0.00 -1.81 0.00 0.00 61.98 60.46 1ffu s VAL 547 Cb -0.08 -3.59 0.00 0.00 0.56 0.00 0.00 36.38 33.28 1ffu s VAL 547 CO 0.30 0.24 0.13 -0.70 -0.31 0.00 0.00 175.10 174.76 1ffu s GLU 548 N -2.16 0.47 0.22 4.82 2.12 0.51 -4.87 118.70 119.82 1ffu s GLU 548 Ca 0.32 -0.41 -0.08 0.00 0.36 0.00 0.00 54.97 55.16 1ffu s GLU 548 Cb -0.13 0.20 -0.02 0.00 0.26 0.00 0.00 34.13 34.44 1ffu s GLU 548 CO 0.21 -0.11 0.33 -1.21 -0.54 0.00 0.00 175.26 173.94 1ffu s GLU 549 N -1.39 1.38 0.00 4.30 2.02 -1.26 -3.12 118.70 120.63 1ffu s GLU 549 Ca -0.15 -1.39 0.00 0.00 0.02 0.00 0.00 54.97 53.46 1ffu s GLU 549 Cb -0.08 0.39 0.00 0.00 0.10 0.00 0.00 34.13 34.54 1ffu s GLU 549 CO 0.01 -0.53 0.00 0.41 0.02 0.00 0.00 175.26 175.18 1ffu n GLY 550 N -0.32 1.69 3.27 -1.39 0.00 -1.25 -4.85 105.19 102.33 1ffu n GLY 550 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.25 5.56 0.31 1.61 -1.08 -1.26 -0.15 116.67 118.42 1ffu s ASP 551 Ca 0.00 -1.40 0.21 0.00 -0.52 0.00 0.00 52.55 50.84 1ffu s ASP 551 Cb 0.00 -1.96 1.15 0.00 -1.46 0.00 0.00 42.92 40.65 1ffu s ASP 551 CO 0.00 -0.48 1.65 0.35 0.52 0.00 0.00 175.17 177.21 1ffu n THR 552 N 4.89 1.06 1.07 1.71 -2.24 -0.61 -0.96 114.28 119.19 1ffu n THR 552 Ca -0.10 0.73 0.12 0.00 -2.27 0.00 0.00 64.05 62.53 1ffu n THR 552 Cb 0.44 -1.73 0.34 0.00 -2.10 0.00 0.00 70.33 67.27 1ffu n THR 552 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ffu n SER 553 N -2.24 2.19 0.00 3.42 7.64 -1.26 -4.54 113.62 118.83 1ffu n SER 553 Ca -0.01 -1.76 0.00 0.00 1.01 0.00 0.00 58.87 58.10 1ffu n SER 553 Cb 0.03 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 1ffu n SER 553 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ffu n THR 554 N 0.68 0.00 -2.92 0.44 -2.24 -0.26 -5.09 114.28 104.89 1ffu n THR 554 Ca 0.17 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.60 1ffu n THR 554 Cb 0.43 -0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.54 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 -1.09 3.22 0.78 6.98 0.00 -0.14 -5.01 121.76 126.51 1ffu s ALA 555 Ca 0.00 0.33 -0.12 0.00 0.00 0.00 0.00 51.96 52.16 1ffu s ALA 555 Cb 0.00 -3.02 0.07 0.00 0.00 0.00 0.00 23.12 20.16 1ffu s ALA 555 CO 0.00 0.22 1.13 -1.25 0.00 0.00 0.00 175.76 175.87 1ffu s PRO 556 N -2.53 2.00 0.15 0.00 0.04 -1.26 -4.78 135.00 128.61 1ffu s PRO 556 Ca 0.53 1.43 -0.31 0.00 0.04 0.00 0.00 61.00 62.69 1ffu s PRO 556 Cb -0.14 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 1ffu s PRO 556 CO 0.19 -1.88 1.50 -0.47 0.04 0.00 0.00 177.00 176.38 1ffu s TYR 557 N -2.54 3.13 0.27 0.56 6.14 -1.26 -3.88 117.35 119.77 1ffu s TYR 557 Ca 0.66 0.75 -0.03 0.00 0.64 0.00 0.00 57.07 59.10 1ffu s TYR 557 Cb -0.22 -3.84 -0.02 0.00 0.42 0.00 0.00 41.96 38.31 1ffu s TYR 557 CO 0.52 -3.03 0.33 0.20 0.64 0.00 0.00 175.55 174.20 1ffu s GLY 558 N 1.10 1.40 0.00 8.97 0.00 -1.25 -4.10 107.32 113.45 1ffu s GLY 558 Ca 0.68 -1.53 0.24 0.00 0.00 0.00 0.00 44.72 44.10 1ffu s GLY 558 CO 0.31 -1.13 1.42 1.04 0.00 0.00 0.00 173.10 174.74 1ffu n LEU 559 N -0.44 2.76 0.00 0.66 7.99 -1.23 -4.46 117.00 122.29 1ffu n LEU 559 Ca 0.02 -1.07 0.00 0.00 -0.01 0.00 0.00 56.01 54.95 1ffu n LEU 559 Cb 0.63 -0.11 0.00 0.00 -0.11 0.00 0.00 43.42 43.83 1ffu n LEU 559 CO 0.30 0.53 0.00 0.61 -1.51 0.00 0.00 177.39 177.32 1ffu n GLY 560 N 1.35 -2.81 3.34 -0.72 0.00 -0.82 -4.70 105.19 100.83 1ffu n GLY 560 Ca 0.17 -1.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 1ffu n GLY 560 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ffu s THR 561 N -0.73 3.35 0.00 2.61 2.01 -0.61 -4.67 115.64 117.60 1ffu s THR 561 Ca 0.00 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.49 1ffu s THR 561 Cb 0.00 -2.50 0.00 0.00 0.01 0.00 0.00 72.50 70.01 1ffu s THR 561 CO 0.00 0.45 0.00 0.00 -0.69 0.00 0.00 174.62 174.38 1ffu n TYR 562 N 4.45 0.00 -1.93 4.92 0.18 -1.26 -4.83 117.16 118.68 1ffu n TYR 562 Ca -0.18 0.00 -0.19 0.00 1.88 0.00 0.00 57.90 59.41 1ffu n TYR 562 Cb 0.51 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.42 1ffu n TYR 562 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1ffu n GLY 563 N -0.15 0.76 3.90 -7.48 0.00 -1.26 -2.22 105.19 98.74 1ffu n GLY 563 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.51 -3.89 0.06 1.61 7.64 -1.26 -3.91 113.62 112.36 1ffu n SER 564 Ca -0.20 -0.81 0.12 0.00 1.01 0.00 0.00 58.87 58.98 1ffu n SER 564 Cb 0.64 -3.81 0.08 0.00 -1.01 0.00 0.00 64.21 60.12 1ffu n SER 564 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1ffu n ARG 565 N -4.59 0.38 0.33 1.43 1.85 -0.94 -3.77 116.66 111.35 1ffu n ARG 565 Ca -0.03 0.06 -0.18 0.00 -1.00 0.00 0.00 57.85 56.70 1ffu n ARG 565 Cb 0.56 -1.69 -0.09 0.00 -1.05 0.00 0.00 32.46 30.18 1ffu n ARG 565 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1ffu h SER 566 N 0.00 -1.15 -0.14 2.89 0.02 -1.86 0.71 113.55 114.02 1ffu h SER 566 Ca 0.00 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1ffu h SER 566 Cb 0.81 0.36 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 1ffu h SER 566 CO 0.00 -0.64 0.08 0.74 -1.14 0.00 0.00 176.83 175.88 1ffu h THR 567 N -0.99 1.06 0.55 -2.27 2.02 -1.94 0.52 112.91 111.86 1ffu h THR 567 Ca -0.07 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 1ffu h THR 567 Cb 0.83 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1ffu h THR 567 CO 0.02 0.06 -0.28 -0.65 0.37 0.00 0.00 175.52 175.03 1ffu h PRO 568 N 0.16 -0.73 0.00 6.66 0.11 -1.75 -2.61 132.00 133.84 1ffu h PRO 568 Ca 0.05 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1ffu h PRO 568 Cb 0.02 0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.30 1ffu h PRO 568 CO -0.01 -0.49 -0.26 0.28 -0.21 0.00 0.00 178.00 177.31 1ffu h VAL 569 N -0.76 0.00 -0.69 3.15 2.07 -0.88 -3.28 116.25 115.86 1ffu h VAL 569 Ca -0.07 -0.83 -0.05 0.00 0.82 0.00 0.00 66.70 66.57 1ffu h VAL 569 Cb 0.60 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1ffu h VAL 569 CO 0.11 0.00 0.24 0.00 0.02 0.00 0.00 177.57 177.94 1ffu h ALA 570 N -1.17 1.12 -0.40 1.67 0.00 -1.20 -1.80 119.26 117.48 1ffu h ALA 570 Ca 0.00 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.81 1ffu h ALA 570 Cb 0.26 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1ffu h ALA 570 CO 0.00 0.61 0.28 0.78 0.00 0.00 0.00 179.25 180.92 1ffu h GLY 571 N 1.08 0.10 0.94 0.00 0.00 0.37 0.30 103.07 105.86 1ffu h GLY 571 Ca 0.23 -0.03 -0.23 0.00 0.00 0.00 0.00 47.33 47.30 1ffu h GLY 571 CO -0.01 0.02 -0.97 0.00 0.00 0.00 0.00 176.54 175.58 1ffu h ALA 572 N 1.80 -0.04 -0.79 3.60 0.00 -1.41 -3.01 119.26 119.41 1ffu h ALA 572 Ca 0.19 -0.71 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1ffu h ALA 572 Cb 0.65 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1ffu h ALA 572 CO -0.01 0.50 0.49 0.00 0.00 0.00 0.00 179.25 180.22 1ffu h ALA 573 N 0.21 1.37 -0.17 0.00 0.00 -0.51 -1.19 119.26 118.96 1ffu h ALA 573 Ca -0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1ffu h ALA 573 Cb 1.71 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1ffu h ALA 573 CO 0.19 0.56 0.06 0.82 0.00 0.00 0.00 179.25 180.87 1ffu h ILE 574 N 1.09 1.18 -0.15 0.00 2.04 -1.05 -0.14 117.51 120.48 1ffu h ILE 574 Ca 0.29 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1ffu h ILE 574 Cb -0.06 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1ffu h ILE 574 CO -0.06 0.17 0.05 0.00 0.00 0.00 0.00 178.15 178.31 1ffu h ALA 575 N 0.88 0.19 -0.69 1.87 0.00 -1.33 -0.71 119.26 119.47 1ffu h ALA 575 Ca 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1ffu h ALA 575 Cb 0.21 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1ffu h ALA 575 CO -0.00 -0.20 0.31 -0.07 0.00 0.00 0.00 179.25 179.29 1ffu h LEU 576 N 0.06 0.92 -0.69 0.00 3.38 -1.17 0.14 115.31 117.96 1ffu h LEU 576 Ca 0.05 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1ffu h LEU 576 Cb 0.21 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1ffu h LEU 576 CO -0.00 0.81 0.15 0.00 0.09 0.00 0.00 178.44 179.49 1ffu h ALA 577 N 1.15 0.91 -0.70 1.53 0.00 -0.94 -0.31 119.26 120.90 1ffu h ALA 577 Ca 0.24 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1ffu h ALA 577 Cb 0.15 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1ffu h ALA 577 CO -0.03 0.65 0.35 0.00 0.00 0.00 0.00 179.25 180.22 1ffu h ALA 578 N 1.07 0.90 -0.00 0.00 0.00 -0.59 -2.24 119.26 118.40 1ffu h ALA 578 Ca 0.21 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1ffu h ALA 578 Cb 0.39 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ffu h ALA 578 CO 0.01 0.45 -0.35 0.00 0.00 0.00 0.00 179.25 179.36 1ffu h ARG 579 N 0.97 0.00 -0.76 0.00 3.08 -0.14 0.06 114.38 117.60 1ffu h ARG 579 Ca 0.24 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.23 1ffu h ARG 579 Cb 0.10 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1ffu h ARG 579 CO -0.03 0.35 0.25 0.87 -1.07 0.00 0.00 179.97 180.33 1ffu h LYS 580 N 0.00 1.17 -0.42 0.04 1.57 -0.47 -0.53 116.57 117.93 1ffu h LYS 580 Ca -0.00 -0.25 -0.07 0.00 -1.87 0.00 0.00 60.65 58.46 1ffu h LYS 580 Cb 0.62 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1ffu h LYS 580 CO 0.05 0.99 -0.03 0.82 -0.57 0.00 0.00 179.45 180.70 1ffu h ILE 581 N 1.13 1.27 -0.96 1.86 2.04 -1.05 -2.78 117.51 119.01 1ffu h ILE 581 Ca 0.25 -1.08 0.03 0.00 1.00 0.00 0.00 64.86 65.05 1ffu h ILE 581 Cb 0.30 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 1ffu h ILE 581 CO -0.01 0.37 0.63 -0.74 0.00 0.00 0.00 178.15 178.40 1ffu h HIS 582 N 0.59 1.18 -0.36 1.37 2.76 -0.50 0.14 115.15 120.33 1ffu h HIS 582 Ca 0.11 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 1ffu h HIS 582 Cb 0.53 -0.40 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 1ffu h HIS 582 CO 0.04 0.70 0.16 0.00 -1.30 0.00 0.00 177.93 177.53 1ffu h ALA 583 N 1.43 0.46 -0.25 5.26 0.00 -0.93 -1.47 119.26 123.76 1ffu h ALA 583 Ca 0.37 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 1ffu h ALA 583 Cb -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1ffu h ALA 583 CO -0.11 0.04 -0.26 -0.22 0.00 0.00 0.00 179.25 178.70 1ffu h LYS 584 N 0.44 0.49 -0.71 0.00 3.64 -1.14 -2.42 116.57 116.88 1ffu h LYS 584 Ca 0.12 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1ffu h LYS 584 Cb 0.14 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1ffu h LYS 584 CO -0.01 0.71 0.36 0.00 -2.27 0.00 0.00 179.45 178.24 1ffu h ALA 585 N 1.29 1.31 -0.27 5.00 0.00 -0.38 -0.83 119.26 125.38 1ffu h ALA 585 Ca 0.06 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1ffu h ALA 585 Cb 0.69 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ffu h ALA 585 CO 0.05 0.55 -0.02 -0.09 0.00 0.00 0.00 179.25 179.74 1ffu h ARG 586 N 0.99 0.49 -0.75 0.00 2.43 -0.88 0.20 114.38 116.86 1ffu h ARG 586 Ca 0.25 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1ffu h ARG 586 Cb 0.06 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 1ffu h ARG 586 CO -0.04 0.67 0.48 -0.22 -1.51 0.00 0.00 179.97 179.35 1ffu h LYS 587 N 0.26 1.00 -0.01 0.20 3.64 -1.06 0.48 116.57 121.08 1ffu h LYS 587 Ca 0.07 -0.07 -0.26 0.00 -1.27 0.00 0.00 60.65 59.12 1ffu h LYS 587 Cb 0.47 -0.22 0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1ffu h LYS 587 CO 0.02 0.68 -1.00 0.82 -2.27 0.00 0.00 179.45 177.69 1ffu h ILE 588 N 1.02 1.29 -0.42 2.00 2.04 -0.93 -2.94 117.51 119.57 1ffu h ILE 588 Ca 0.27 -2.22 -0.04 0.00 1.00 0.00 0.00 64.86 63.88 1ffu h ILE 588 Cb -0.09 2.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 1ffu h ILE 588 CO -0.06 0.69 0.10 0.00 0.00 0.00 0.00 178.15 178.88 1ffu h ALA 589 N 0.40 1.39 -0.51 1.87 0.00 -0.02 -2.11 119.26 120.27 1ffu h ALA 589 Ca -0.12 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1ffu h ALA 589 Cb 1.66 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1ffu h ALA 589 CO 0.20 0.44 0.03 0.00 0.00 0.00 0.00 179.25 179.92 1ffu h ALA 590 N 1.50 0.69 -0.57 0.00 0.00 -0.93 -1.25 119.26 118.70 1ffu h ALA 590 Ca 0.14 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1ffu h ALA 590 Cb 0.24 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1ffu h ALA 590 CO -0.00 0.47 0.21 1.25 0.00 0.00 0.00 179.25 181.17 1ffu h HIS 591 N 0.75 0.88 -0.51 0.00 6.17 -1.26 0.14 115.15 121.33 1ffu h HIS 591 Ca 0.15 -0.08 -0.12 0.00 0.71 0.00 0.00 60.37 61.04 1ffu h HIS 591 Cb 0.47 -0.26 -0.02 0.00 2.52 0.00 0.00 27.41 30.13 1ffu h HIS 591 CO 0.04 0.72 -0.15 0.52 0.71 0.00 0.00 177.93 179.77 1ffu h MET 592 N 0.78 0.99 -0.00 5.26 2.86 -1.26 -2.99 114.93 120.57 1ffu h MET 592 Ca 0.19 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1ffu h MET 592 Cb 0.23 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1ffu h MET 592 CO -0.01 1.07 -0.17 1.28 1.06 0.00 0.00 176.91 180.13 1ffu n LEU 593 N -4.16 0.46 -3.53 1.22 4.77 -0.48 -4.96 117.00 110.32 1ffu n LEU 593 Ca 0.01 0.05 -0.21 0.00 -0.03 0.00 0.00 56.01 55.83 1ffu n LEU 593 Cb 0.42 -0.23 0.05 0.00 -2.33 0.00 0.00 43.42 41.33 1ffu n LEU 593 CO 0.46 0.09 -0.01 -0.62 -1.33 0.00 0.00 177.39 175.98 1ffu n GLU 594 N -1.09 -3.81 -4.14 3.23 1.02 0.42 -5.01 120.64 111.26 1ffu n GLU 594 Ca 0.12 0.70 -0.13 0.00 -0.02 0.00 0.00 57.16 57.82 1ffu n GLU 594 Cb 0.30 -5.27 -0.07 0.00 -0.02 0.00 0.00 31.44 26.38 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 -3.50 0.00 0.66 2.62 -7.23 -0.80 -5.05 120.40 107.09 1ffu s VAL 595 Ca 0.21 -1.75 -0.10 0.00 -1.81 0.00 0.00 61.98 58.53 1ffu s VAL 595 Cb -0.05 -2.48 0.01 0.00 0.56 0.00 0.00 36.38 34.43 1ffu s VAL 595 CO 0.79 0.00 1.03 0.21 -0.31 0.00 0.00 175.10 176.82 1ffu s ASN 596 N -3.19 5.56 0.02 4.85 2.47 -1.26 -4.55 114.94 118.84 1ffu s ASN 596 Ca 0.33 1.03 -0.28 0.00 0.42 0.00 0.00 52.86 54.37 1ffu s ASN 596 Cb 0.02 -1.91 -0.16 0.00 -1.45 0.00 0.00 41.25 37.75 1ffu s ASN 596 CO 0.16 -1.22 1.23 -0.33 -3.72 0.00 0.00 177.10 173.22 1ffu h GLU 597 N -0.48 -0.80 -0.01 0.43 5.08 -1.94 -2.90 114.58 113.95 1ffu h GLU 597 Ca -0.45 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1ffu h GLU 597 Cb 1.25 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1ffu h GLU 597 CO 0.63 -0.49 0.00 -1.71 -1.00 0.00 0.00 179.01 176.44 1ffu n ASN 598 N -5.36 0.01 -0.24 1.42 5.15 -1.26 -0.48 115.26 114.51 1ffu n ASN 598 Ca -0.12 -0.46 0.11 0.00 -0.60 0.00 0.00 54.58 53.51 1ffu n ASN 598 Cb 0.35 -0.01 -0.02 0.00 -0.53 0.00 0.00 39.78 39.58 1ffu n ASN 598 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1ffu n ASP 599 N -0.45 1.44 -4.80 1.20 8.00 -1.09 -4.95 116.55 115.89 1ffu n ASP 599 Ca 0.00 -1.19 -0.32 0.00 0.71 0.00 0.00 54.79 53.99 1ffu n ASP 599 Cb 0.00 0.68 -0.07 0.00 -0.02 0.00 0.00 41.12 41.72 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 -2.74 3.95 -0.09 0.64 1.43 0.37 -1.73 118.68 120.51 1ffu s LEU 600 Ca 0.14 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.42 1ffu s LEU 600 Cb 0.17 -2.37 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 1ffu s LEU 600 CO 0.71 0.25 -0.21 -1.81 0.23 0.00 0.00 176.35 175.52 1ffu s ASP 601 N -1.90 3.38 -0.23 2.29 1.01 0.79 -4.90 116.67 117.12 1ffu s ASP 601 Ca 0.25 -0.47 -0.19 0.00 0.71 0.00 0.00 52.55 52.86 1ffu s ASP 601 Cb -0.12 -1.29 -0.03 0.00 1.01 0.00 0.00 42.92 42.49 1ffu s ASP 601 CO 0.16 0.19 0.53 0.86 0.21 0.00 0.00 175.17 177.13 1ffu s TRP 602 N 0.15 3.32 -0.41 4.23 -0.11 -1.26 -0.81 118.94 124.05 1ffu s TRP 602 Ca -0.11 0.73 0.02 0.00 1.22 0.00 0.00 56.10 57.95 1ffu s TRP 602 Cb -0.16 -2.71 0.13 0.00 -1.50 0.00 0.00 33.47 29.22 1ffu s TRP 602 CO 0.06 -0.20 0.20 -2.00 -4.62 0.00 0.00 176.95 170.39 1ffu s GLU 603 N 2.02 1.17 0.00 5.86 2.12 -0.83 -4.99 118.70 124.06 1ffu s GLU 603 Ca 0.23 -1.81 0.00 0.00 0.36 0.00 0.00 54.97 53.75 1ffu s GLU 603 Cb -0.16 -2.29 0.00 0.00 0.26 0.00 0.00 34.13 31.95 1ffu s GLU 603 CO 0.09 -1.12 0.00 0.28 -0.54 0.00 0.00 175.26 173.97 1ffu n VAL 604 N 3.83 0.00 -2.22 3.70 0.31 -1.26 -3.30 118.33 119.39 1ffu n VAL 604 Ca 0.06 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1ffu n VAL 604 Cb 0.36 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.28 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 1.22 0.18 -3.48 4.52 5.75 -1.26 -3.84 116.55 119.64 1ffu n ASP 605 Ca 0.00 -1.89 -0.11 0.00 -0.01 0.00 0.00 54.79 52.78 1ffu n ASP 605 Cb 0.00 -0.09 -0.02 0.00 -1.03 0.00 0.00 41.12 39.98 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 1.27 -0.26 0.11 1.70 -1.21 -3.03 118.95 117.54 1ffu s ARG 606 Ca 0.15 -0.50 -0.05 0.00 -0.47 0.00 0.00 55.73 54.86 1ffu s ARG 606 Cb 0.17 0.56 0.00 0.00 -0.57 0.00 0.00 34.95 35.11 1ffu s ARG 606 CO -0.07 -0.56 0.02 -0.06 -1.08 0.00 0.00 175.30 173.54 1ffu s PHE 607 N -3.68 3.07 0.16 5.89 0.08 -0.38 -1.96 117.98 121.16 1ffu s PHE 607 Ca 0.03 -1.00 0.09 0.00 0.12 0.00 0.00 56.93 56.16 1ffu s PHE 607 Cb -0.01 -2.17 -0.04 0.00 -0.57 0.00 0.00 43.02 40.22 1ffu s PHE 607 CO -0.10 -0.57 -0.11 -1.59 -0.10 0.00 0.00 175.22 172.75 1ffu s LYS 608 N 1.48 2.02 -0.01 0.44 -2.85 0.01 -1.01 119.74 119.81 1ffu s LYS 608 Ca 0.04 -1.23 -0.30 0.00 -1.00 0.00 0.00 55.97 53.47 1ffu s LYS 608 Cb -0.16 -2.16 -0.04 0.00 -2.06 0.00 0.00 37.83 33.41 1ffu s LYS 608 CO -0.00 0.45 1.15 0.08 0.10 0.00 0.00 175.35 177.13 1ffu s VAL 609 N -1.56 4.31 0.05 1.79 1.01 -0.10 -0.15 120.40 125.75 1ffu s VAL 609 Ca 0.23 1.64 -0.34 0.00 0.00 0.00 0.00 61.98 63.51 1ffu s VAL 609 Cb -0.09 -4.05 -0.13 0.00 0.00 0.00 0.00 36.38 32.10 1ffu s VAL 609 CO 0.14 0.06 1.67 0.29 0.00 0.00 0.00 175.10 177.27 1ffu n LYS 610 N 4.55 2.03 -1.01 2.72 5.02 -0.71 -1.14 118.16 129.63 1ffu n LYS 610 Ca 0.09 0.74 -0.00 0.00 -2.02 0.00 0.00 58.31 57.12 1ffu n LYS 610 Cb 0.47 -2.52 -0.00 0.00 -0.02 0.00 0.00 35.03 32.96 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 3.72 0.47 2.83 0.72 0.00 -1.26 -4.96 105.19 106.71 1ffu n GLY 611 Ca 0.19 -0.17 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.17 -0.76 0.42 1.61 -1.08 -0.29 -5.02 116.67 109.39 1ffu s ASP 612 Ca 0.00 -1.65 0.12 0.00 -0.52 0.00 0.00 52.55 50.50 1ffu s ASP 612 Cb 0.00 1.44 0.97 0.00 -1.46 0.00 0.00 42.92 43.87 1ffu s ASP 612 CO 0.00 -0.12 1.99 0.44 0.52 0.00 0.00 175.17 177.99 1ffu h ASP 613 N 5.85 0.42 0.02 -0.34 3.32 -1.93 -2.37 116.42 121.39 1ffu h ASP 613 Ca 0.08 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1ffu h ASP 613 Cb 1.09 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.56 1ffu h ASP 613 CO 0.10 0.26 -0.00 0.77 -1.72 0.00 0.00 179.24 178.65 1ffu h SER 614 N 0.47 0.00 -3.30 6.45 4.64 -1.95 -3.37 113.55 116.49 1ffu h SER 614 Ca 0.27 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 60.85 1ffu h SER 614 Cb 0.43 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.23 1ffu h SER 614 CO -0.08 0.00 -0.36 -0.54 -0.87 0.00 0.00 176.83 174.99 1ffu s LYS 615 N -4.16 2.57 0.15 4.77 1.02 -0.89 -5.05 119.74 118.15 1ffu s LYS 615 Ca -0.05 -1.79 -0.10 0.00 0.02 0.00 0.00 55.97 54.05 1ffu s LYS 615 Cb 0.13 -3.98 0.00 0.00 -0.52 0.00 0.00 37.83 33.46 1ffu s LYS 615 CO 0.42 -1.22 0.31 -0.59 -0.92 0.00 0.00 175.35 173.35 1ffu s PHE 616 N 1.34 0.25 -0.05 3.18 -0.71 -1.26 -0.93 117.98 119.80 1ffu s PHE 616 Ca 0.06 -0.62 -0.02 0.00 -1.04 0.00 0.00 56.93 55.31 1ffu s PHE 616 Cb -0.26 0.02 0.03 0.00 -1.21 0.00 0.00 43.02 41.60 1ffu s PHE 616 CO -0.00 -0.72 0.03 0.15 -1.34 0.00 0.00 175.22 173.34 1ffu s LYS 617 N -3.93 0.22 0.81 1.99 -0.14 -0.18 -4.96 119.74 113.56 1ffu s LYS 617 Ca 0.13 0.26 -0.12 0.00 -1.36 0.00 0.00 55.97 54.88 1ffu s LYS 617 Cb 0.03 -0.71 0.07 0.00 -1.68 0.00 0.00 37.83 35.55 1ffu s LYS 617 CO -0.03 -0.31 1.12 0.95 -0.76 0.00 0.00 175.35 176.32 1ffu s THR 618 N 2.06 2.71 0.51 2.17 -4.23 -1.26 -1.24 115.64 116.35 1ffu s THR 618 Ca 0.05 0.23 0.17 0.00 -1.18 0.00 0.00 61.69 60.96 1ffu s THR 618 Cb -0.12 -3.08 0.26 0.00 1.34 0.00 0.00 72.50 70.89 1ffu s THR 618 CO -0.04 -0.30 2.13 -0.03 -0.54 0.00 0.00 174.62 175.84 1ffu h MET 619 N -1.08 0.00 -0.24 3.99 4.05 -1.85 -0.89 114.93 118.92 1ffu h MET 619 Ca -0.47 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 58.90 1ffu h MET 619 Cb 1.29 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.08 1ffu h MET 619 CO 0.62 0.04 -0.04 0.00 0.23 0.00 0.00 176.91 177.76 1ffu h ALA 620 N 1.96 0.33 -0.52 0.39 0.00 -1.90 0.73 119.26 120.24 1ffu h ALA 620 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ffu h ALA 620 Cb 0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1ffu h ALA 620 CO 0.01 0.11 0.33 -0.44 0.00 0.00 0.00 179.25 179.25 1ffu h ASP 621 N 0.20 0.62 -0.48 0.00 3.32 -1.62 -2.24 116.42 116.21 1ffu h ASP 621 Ca 0.06 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 1ffu h ASP 621 Cb 0.50 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1ffu h ASP 621 CO 0.02 0.48 0.14 0.40 -1.72 0.00 0.00 179.24 178.56 1ffu h ILE 622 N 0.71 1.23 -0.08 0.35 2.04 -1.08 -2.03 117.51 118.65 1ffu h ILE 622 Ca 0.19 -0.79 0.01 0.00 1.00 0.00 0.00 64.86 65.27 1ffu h ILE 622 Cb -0.04 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1ffu h ILE 622 CO -0.04 0.29 0.00 0.00 0.00 0.00 0.00 178.15 178.40 1ffu h ALA 623 N 1.00 0.07 -0.41 1.87 0.00 -0.63 0.25 119.26 121.41 1ffu h ALA 623 Ca 0.15 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1ffu h ALA 623 Cb 0.29 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1ffu h ALA 623 CO -0.00 -0.47 0.24 2.35 0.00 0.00 0.00 179.25 181.37 1ffu h TRP 624 N 0.03 0.44 -0.77 0.00 2.91 -1.25 -1.71 115.95 115.60 1ffu h TRP 624 Ca 0.04 0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.16 1ffu h TRP 624 Cb 0.04 -0.14 -0.05 0.00 -0.51 0.00 0.00 29.16 28.50 1ffu h TRP 624 CO -0.12 0.25 0.51 0.37 -1.03 0.00 0.00 178.44 178.42 1ffu h GLN 625 N 0.48 0.72 -0.23 2.65 5.75 -0.92 0.38 115.11 123.93 1ffu h GLN 625 Ca 0.17 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.60 1ffu h GLN 625 Cb 0.02 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 1ffu h GLN 625 CO -0.08 0.47 0.04 0.00 -2.65 0.00 0.00 178.83 176.61 1ffu h ALA 626 N 1.60 1.63 0.00 3.38 0.00 -0.00 -1.07 119.26 124.80 1ffu h ALA 626 Ca 0.35 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 1ffu h ALA 626 Cb 0.39 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1ffu h ALA 626 CO -0.13 0.28 -1.81 0.66 0.00 0.00 0.00 179.25 178.25 1ffu n TYR 627 N -4.38 0.38 -0.06 0.00 4.02 -0.71 -0.95 117.16 115.46 1ffu n TYR 627 Ca 0.00 0.12 -0.10 0.00 -0.01 0.00 0.00 57.90 57.91 1ffu n TYR 627 Cb 0.17 -0.83 -0.10 0.00 -0.02 0.00 0.00 39.34 38.56 1ffu n TYR 627 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1ffu h HIS 628 N 0.00 -0.01 -1.18 -0.72 2.76 -0.75 -3.46 115.15 111.80 1ffu h HIS 628 Ca -0.17 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 57.94 1ffu h HIS 628 Cb 1.45 0.00 -0.22 0.00 1.55 0.00 0.00 27.41 30.18 1ffu h HIS 628 CO 0.00 0.72 -0.45 -1.14 -1.30 0.00 0.00 177.93 175.77 1ffu s GLN 629 N -2.11 0.62 0.22 5.26 2.00 -0.42 -5.08 119.66 120.14 1ffu s GLN 629 Ca -0.14 0.15 -0.30 0.00 -2.00 0.00 0.00 55.36 53.07 1ffu s GLN 629 Cb -0.02 0.05 -0.09 0.00 0.80 0.00 0.00 33.01 33.75 1ffu s GLN 629 CO 0.51 -1.10 1.33 -1.25 -0.50 0.00 0.00 175.29 174.28 1ffu s PRO 630 N 2.40 4.37 0.68 1.67 0.04 -1.25 -4.72 135.00 138.18 1ffu s PRO 630 Ca 0.12 2.11 -0.17 0.00 0.04 0.00 0.00 61.00 63.10 1ffu s PRO 630 Cb -0.09 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1ffu s PRO 630 CO -0.20 -0.27 1.20 -2.30 0.04 0.00 0.00 177.00 175.48 1ffu n PRO 631 N 2.42 0.87 -1.59 0.56 -0.02 -1.26 -4.84 135.00 131.14 1ffu n PRO 631 Ca 0.06 0.36 -0.50 0.00 -2.02 0.00 0.00 63.50 61.40 1ffu n PRO 631 Cb 0.42 -2.44 -0.05 0.00 -0.02 0.00 0.00 33.50 31.42 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 -2.18 -0.71 -0.88 3.55 0.00 -1.26 -1.67 120.51 117.36 1ffu n ALA 632 Ca 0.15 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1ffu n ALA 632 Cb 0.48 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 2.22 0.55 3.12 0.00 0.00 -1.26 -5.04 105.19 104.78 1ffu n GLY 633 Ca 0.16 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 1.99 0.53 0.99 1.43 -0.67 -5.13 118.68 117.82 1ffu s LEU 634 Ca 0.00 -0.29 -0.18 0.00 -1.03 0.00 0.00 54.13 52.63 1ffu s LEU 634 Cb 0.00 -0.82 -0.06 0.00 0.03 0.00 0.00 46.19 45.34 1ffu s LEU 634 CO 0.00 0.18 1.03 -1.61 0.23 0.00 0.00 176.35 176.18 1ffu s GLU 635 N -0.24 3.64 1.03 1.70 2.02 -1.26 -4.65 118.70 120.94 1ffu s GLU 635 Ca 0.03 1.21 -0.12 0.00 0.02 0.00 0.00 54.97 56.11 1ffu s GLU 635 Cb -0.07 -2.08 0.20 0.00 0.10 0.00 0.00 34.13 32.28 1ffu s GLU 635 CO -0.00 -0.54 1.08 -2.14 0.02 0.00 0.00 175.26 173.68 1ffu s PRO 636 N -3.75 0.19 0.00 0.39 0.02 -1.26 -4.90 135.00 125.69 1ffu s PRO 636 Ca 0.64 0.58 0.00 0.00 0.02 0.00 0.00 61.00 62.24 1ffu s PRO 636 Cb -0.15 -1.70 0.00 0.00 0.02 0.00 0.00 34.50 32.67 1ffu s PRO 636 CO 0.29 -2.91 0.00 0.41 -0.33 0.00 0.00 177.00 174.46 1ffu n GLY 637 N -0.76 0.02 2.90 0.52 0.00 -0.12 -4.96 105.19 102.78 1ffu n GLY 637 Ca 0.05 -1.89 -0.05 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 -1.05 -1.15 0.19 0.99 2.96 -1.26 -4.79 118.68 114.57 1ffu s LEU 638 Ca 0.00 -1.48 -0.15 0.00 -0.22 0.00 0.00 54.13 52.29 1ffu s LEU 638 Cb 0.00 1.63 0.02 0.00 0.50 0.00 0.00 46.19 48.34 1ffu s LEU 638 CO 0.00 -0.12 0.46 -1.83 -1.32 0.00 0.00 176.35 173.54 1ffu s GLU 639 N 1.22 1.33 0.19 1.98 -1.05 -1.26 -1.54 118.70 119.56 1ffu s GLU 639 Ca 0.24 -0.97 -0.22 0.00 -0.15 0.00 0.00 54.97 53.87 1ffu s GLU 639 Cb -0.03 0.48 0.05 0.00 -0.44 0.00 0.00 34.13 34.20 1ffu s GLU 639 CO -0.06 -0.55 0.61 0.00 0.95 0.00 0.00 175.26 176.20 1ffu s ALA 640 N -3.91 -1.43 0.04 -0.84 0.00 -0.64 -4.84 121.76 110.15 1ffu s ALA 640 Ca 0.12 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.34 1ffu s ALA 640 Cb 0.00 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.96 1ffu s ALA 640 CO -0.01 -0.82 -0.07 0.54 0.00 0.00 0.00 175.76 175.40 1ffu s VAL 641 N -3.80 0.48 -0.17 0.00 0.11 -1.26 -1.29 120.40 114.47 1ffu s VAL 641 Ca 0.04 -1.17 -0.08 0.00 -2.93 0.00 0.00 61.98 57.84 1ffu s VAL 641 Cb -0.02 -0.70 0.07 0.00 -1.53 0.00 0.00 36.38 34.21 1ffu s VAL 641 CO -0.08 -0.47 0.39 -2.28 -3.33 0.00 0.00 175.10 169.33 1ffu s HIS 642 N -1.71 -0.64 -0.38 1.54 2.46 -0.20 -4.83 115.29 111.54 1ffu s HIS 642 Ca -0.08 1.31 -0.11 0.00 0.47 0.00 0.00 55.06 56.65 1ffu s HIS 642 Cb -0.08 0.24 0.03 0.00 -0.13 0.00 0.00 32.58 32.64 1ffu s HIS 642 CO -0.01 -0.39 0.22 0.71 -2.47 0.00 0.00 174.74 172.80 1ffu s TYR 643 N 1.92 3.25 -0.33 3.88 1.51 -1.26 -1.96 117.35 124.36 1ffu s TYR 643 Ca -0.06 -0.97 -0.16 0.00 -1.01 0.00 0.00 57.07 54.88 1ffu s TYR 643 Cb -0.10 -2.47 -0.02 0.00 -0.11 0.00 0.00 41.96 39.26 1ffu s TYR 643 CO -0.12 -0.66 0.39 -0.47 -1.11 0.00 0.00 175.55 173.59 1ffu s TYR 644 N 1.56 3.21 -0.50 2.71 5.04 0.68 -4.93 117.35 125.11 1ffu s TYR 644 Ca 0.02 0.10 -0.13 0.00 -2.44 0.00 0.00 57.07 54.62 1ffu s TYR 644 Cb -0.19 -2.70 0.12 0.00 0.35 0.00 0.00 41.96 39.54 1ffu s TYR 644 CO 0.07 -0.41 0.42 0.34 -1.34 0.00 0.00 175.55 174.62 1ffu s ASP 645 N 1.72 5.95 0.35 4.32 2.15 -1.26 -2.23 116.67 127.66 1ffu s ASP 645 Ca 0.14 -1.84 -0.28 0.00 0.43 0.00 0.00 52.55 51.00 1ffu s ASP 645 Cb -0.16 -2.11 -0.12 0.00 -0.30 0.00 0.00 42.92 40.23 1ffu s ASP 645 CO 0.12 -0.77 1.36 -0.81 -0.17 0.00 0.00 175.17 174.89 1ffu n PRO 646 N 5.08 2.29 0.13 4.34 -0.04 -1.26 -4.91 135.00 140.63 1ffu n PRO 646 Ca -0.11 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.16 1ffu n PRO 646 Cb 0.40 -2.43 0.08 0.00 -0.04 0.00 0.00 33.50 31.51 1ffu n PRO 646 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1ffu h PRO 647 N 2.78 0.00 -3.29 0.54 0.13 -1.97 -3.20 132.00 127.00 1ffu h PRO 647 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ffu h PRO 647 Cb 1.27 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.32 1ffu h PRO 647 CO 0.64 0.61 0.07 1.21 -0.23 0.00 0.00 178.00 180.30 1ffu s ASN 648 N -6.56 -0.22 1.01 1.44 2.47 -1.26 -4.89 114.94 106.94 1ffu s ASN 648 Ca 0.02 -0.65 -0.15 0.00 0.42 0.00 0.00 52.86 52.49 1ffu s ASN 648 Cb 0.10 0.64 0.21 0.00 -1.45 0.00 0.00 41.25 40.74 1ffu s ASN 648 CO 0.75 -1.19 1.19 0.49 -3.72 0.00 0.00 177.10 174.62 1ffu n PHE 649 N -0.40 -3.99 -4.72 0.43 3.01 -1.26 -4.83 117.46 105.70 1ffu n PHE 649 Ca -0.05 -1.05 -0.32 0.00 1.01 0.00 0.00 57.45 57.03 1ffu n PHE 649 Cb 0.61 -0.93 -0.12 0.00 -0.01 0.00 0.00 39.48 39.03 1ffu n PHE 649 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1ffu s THR 650 N -3.58 3.18 -0.64 4.37 2.01 0.53 -4.79 115.64 116.72 1ffu s THR 650 Ca 0.68 -0.83 0.05 0.00 0.31 0.00 0.00 61.69 61.90 1ffu s THR 650 Cb -0.02 -2.31 0.18 0.00 0.01 0.00 0.00 72.50 70.36 1ffu s THR 650 CO 0.48 0.49 0.49 -1.22 -0.69 0.00 0.00 174.62 174.16 1ffu n TYR 651 N 1.94 2.45 -1.54 4.92 4.02 -1.26 -0.83 117.16 126.87 1ffu n TYR 651 Ca -0.17 -4.10 -0.30 0.00 -0.01 0.00 0.00 57.90 53.32 1ffu n TYR 651 Cb 0.52 -0.45 0.09 0.00 -0.02 0.00 0.00 39.34 39.49 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 -1.26 2.01 0.29 -0.72 0.04 -1.24 -4.74 135.00 129.39 1ffu s PRO 652 Ca 0.28 0.63 -0.02 0.00 0.04 0.00 0.00 61.00 61.93 1ffu s PRO 652 Cb -0.01 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 1ffu s PRO 652 CO -0.16 -1.67 0.35 -0.59 0.04 0.00 0.00 177.00 174.97 1ffu s PHE 653 N -3.15 1.09 -0.11 0.56 -0.71 -0.81 -0.12 117.98 114.73 1ffu s PHE 653 Ca 0.61 -1.28 -0.30 0.00 -1.04 0.00 0.00 56.93 54.92 1ffu s PHE 653 Cb -0.15 -0.27 0.12 0.00 -1.21 0.00 0.00 43.02 41.51 1ffu s PHE 653 CO 0.54 -0.94 0.97 0.20 -1.34 0.00 0.00 175.22 174.66 1ffu s GLY 654 N -3.20 -0.34 -0.26 1.99 0.00 -0.80 -0.77 107.32 103.93 1ffu s GLY 654 Ca 0.33 1.64 0.03 0.00 0.00 0.00 0.00 44.72 46.72 1ffu s GLY 654 CO 0.18 0.75 -0.10 -0.42 0.00 0.00 0.00 173.10 173.50 1ffu s ILE 655 N -1.91 2.20 -0.13 0.90 1.09 -0.60 -1.79 121.20 120.95 1ffu s ILE 655 Ca 0.01 -1.64 -0.01 0.00 -1.10 0.00 0.00 60.65 57.91 1ffu s ILE 655 Cb -0.01 -2.30 -0.02 0.00 -1.06 0.00 0.00 42.46 39.07 1ffu s ILE 655 CO -0.03 -0.04 -0.09 -0.31 -0.10 0.00 0.00 174.94 174.38 1ffu s TYR 656 N 1.10 2.91 -0.03 3.97 1.51 0.52 -2.03 117.35 125.30 1ffu s TYR 656 Ca -0.09 -0.42 0.03 0.00 -1.01 0.00 0.00 57.07 55.59 1ffu s TYR 656 Cb -0.20 -1.87 -0.00 0.00 -0.11 0.00 0.00 41.96 39.78 1ffu s TYR 656 CO -0.05 -0.07 -0.13 -1.17 -1.11 0.00 0.00 175.55 173.02 1ffu s LEU 657 N 0.20 1.88 0.00 -1.29 0.20 -0.33 -0.13 118.68 119.21 1ffu s LEU 657 Ca -0.05 -0.25 0.01 0.00 0.69 0.00 0.00 54.13 54.52 1ffu s LEU 657 Cb -0.15 -0.72 -0.01 0.00 -0.43 0.00 0.00 46.19 44.89 1ffu s LEU 657 CO 0.04 0.12 -0.04 0.00 -0.29 0.00 0.00 176.35 176.18 1ffu s VAL 659 N -0.25 2.08 0.12 0.00 1.01 -0.31 0.53 120.40 123.58 1ffu s VAL 659 Ca -0.00 -0.99 0.09 0.00 0.00 0.00 0.00 61.98 61.08 1ffu s VAL 659 Cb -0.02 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1ffu s VAL 659 CO -0.00 0.55 -0.22 0.68 0.00 0.00 0.00 175.10 176.11 1ffu s VAL 660 N 0.60 1.90 -0.17 2.92 -7.23 0.57 -0.46 120.40 118.53 1ffu s VAL 660 Ca -0.12 -1.67 0.01 0.00 -1.81 0.00 0.00 61.98 58.38 1ffu s VAL 660 Cb -0.17 -1.74 0.02 0.00 0.56 0.00 0.00 36.38 35.06 1ffu s VAL 660 CO 0.03 -0.06 -0.16 -1.81 -0.31 0.00 0.00 175.10 172.80 1ffu s ASP 661 N -2.08 2.94 -0.19 4.85 1.01 -0.50 -1.11 116.67 121.59 1ffu s ASP 661 Ca 0.10 -0.60 -0.08 0.00 0.71 0.00 0.00 52.55 52.68 1ffu s ASP 661 Cb -0.09 -1.29 -0.04 0.00 1.01 0.00 0.00 42.92 42.50 1ffu s ASP 661 CO 0.05 -0.05 0.09 -0.63 0.21 0.00 0.00 175.17 174.84 1ffu s ILE 662 N 1.40 5.01 -0.42 0.77 1.01 -0.02 -1.26 121.20 127.70 1ffu s ILE 662 Ca 0.04 0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.45 1ffu s ILE 662 Cb -0.13 -3.27 0.03 0.00 0.01 0.00 0.00 42.46 39.09 1ffu s ILE 662 CO -0.11 0.46 1.12 -0.62 0.00 0.00 0.00 174.94 175.78 1ffu s ASP 663 N 0.35 6.74 0.56 3.58 -1.08 0.05 -1.23 116.67 125.64 1ffu s ASP 663 Ca 0.05 0.67 0.30 0.00 -0.52 0.00 0.00 52.55 53.05 1ffu s ASP 663 Cb -0.12 -2.55 1.70 0.00 -1.46 0.00 0.00 42.92 40.49 1ffu s ASP 663 CO -0.01 -1.13 2.17 0.03 0.52 0.00 0.00 175.17 176.76 1ffu h ARG 664 N 8.84 0.00 0.10 4.34 3.08 -1.79 0.43 114.38 129.38 1ffu h ARG 664 Ca -0.22 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.55 1ffu h ARG 664 Cb 1.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.11 1ffu h ARG 664 CO 1.10 0.06 -1.30 0.00 -1.07 0.00 0.00 179.97 178.75 1ffu h ALA 665 N 1.94 0.20 0.00 0.04 0.00 -1.86 0.55 119.26 120.13 1ffu h ALA 665 Ca -0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 54.91 53.91 1ffu h ALA 665 Cb 0.18 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ffu h ALA 665 CO 0.01 1.07 -1.34 0.25 0.00 0.00 0.00 179.25 179.24 1ffu n THR 666 N -3.47 0.12 -0.51 0.00 -2.24 -1.12 -4.71 114.28 102.35 1ffu n THR 666 Ca -0.10 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1ffu n THR 666 Cb 1.02 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 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 2.25 0.75 3.70 3.38 0.00 0.15 -4.63 105.19 110.79 1ffu n GLY 667 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.49 4.30 -0.19 1.61 2.02 -1.24 -4.18 118.70 120.52 1ffu s GLU 668 Ca 0.00 2.03 -0.07 0.00 0.02 0.00 0.00 54.97 56.95 1ffu s GLU 668 Cb 0.00 -3.44 -0.04 0.00 0.10 0.00 0.00 34.13 30.75 1ffu s GLU 668 CO 0.00 -0.52 0.06 0.99 0.02 0.00 0.00 175.26 175.81 1ffu s THR 669 N 1.86 4.68 -0.18 3.63 2.01 -1.26 -0.77 115.64 125.61 1ffu s THR 669 Ca 0.65 -0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.59 1ffu s THR 669 Cb -0.34 -3.12 0.02 0.00 0.01 0.00 0.00 72.50 69.07 1ffu s THR 669 CO 0.29 0.44 -0.19 -0.75 -0.69 0.00 0.00 174.62 173.72 1ffu s LYS 670 N 0.54 3.02 -0.34 4.92 2.47 -0.38 -4.97 119.74 125.00 1ffu s LYS 670 Ca 0.03 -0.82 -0.29 0.00 -1.56 0.00 0.00 55.97 53.33 1ffu s LYS 670 Cb -0.13 -2.59 -0.00 0.00 -1.46 0.00 0.00 37.83 33.64 1ffu s LYS 670 CO 0.01 -0.20 1.47 0.08 0.16 0.00 0.00 175.35 176.88 1ffu s VAL 671 N 1.28 3.87 0.04 4.02 1.01 -1.26 -1.41 120.40 127.95 1ffu s VAL 671 Ca 0.05 0.93 -0.15 0.00 0.00 0.00 0.00 61.98 62.80 1ffu s VAL 671 Cb -0.13 -4.02 -0.33 0.00 0.00 0.00 0.00 36.38 31.90 1ffu s VAL 671 CO -0.12 -0.55 1.05 -0.09 0.00 0.00 0.00 175.10 175.39 1ffu h ARG 672 N 10.64 0.57 -2.38 2.72 2.43 -1.12 -3.48 114.38 123.76 1ffu h ARG 672 Ca -0.29 -0.88 -0.08 0.00 -0.81 0.00 0.00 59.98 57.92 1ffu h ARG 672 Cb 1.12 0.31 -0.20 0.00 -0.42 0.00 0.00 29.97 30.78 1ffu h ARG 672 CO 1.05 1.41 0.00 0.50 -1.51 0.00 0.00 179.97 181.42 1ffu s ARG 673 N -2.75 0.85 -0.16 0.20 3.52 -1.13 -4.99 118.95 114.49 1ffu s ARG 673 Ca -0.09 0.25 -0.04 0.00 -0.13 0.00 0.00 55.73 55.72 1ffu s ARG 673 Cb 0.05 0.40 0.08 0.00 -1.56 0.00 0.00 34.95 33.91 1ffu s ARG 673 CO 0.94 -0.23 0.24 0.12 -0.81 0.00 0.00 175.30 175.56 1ffu s PHE 674 N -0.88 -0.35 -0.21 5.12 2.19 -1.26 -1.17 117.98 121.42 1ffu s PHE 674 Ca -0.09 0.62 -0.04 0.00 0.33 0.00 0.00 56.93 57.75 1ffu s PHE 674 Cb -0.02 -0.19 -0.02 0.00 -1.31 0.00 0.00 43.02 41.48 1ffu s PHE 674 CO 0.06 -0.46 -0.03 -0.47 1.83 0.00 0.00 175.22 176.16 1ffu s TYR 675 N 2.37 2.98 -0.18 10.12 6.14 0.55 -1.77 117.35 137.56 1ffu s TYR 675 Ca 0.04 -0.72 0.01 0.00 0.64 0.00 0.00 57.07 57.05 1ffu s TYR 675 Cb -0.14 -2.09 0.03 0.00 0.42 0.00 0.00 41.96 40.18 1ffu s TYR 675 CO -0.10 -0.41 -0.16 0.00 0.64 0.00 0.00 175.55 175.53 1ffu s ALA 676 N 1.24 2.17 -0.21 3.97 0.00 0.16 -1.19 121.76 127.90 1ffu s ALA 676 Ca 0.03 -1.19 -0.03 0.00 0.00 0.00 0.00 51.96 50.77 1ffu s ALA 676 Cb -0.14 -1.21 -0.01 0.00 0.00 0.00 0.00 23.12 21.76 1ffu s ALA 676 CO -0.00 -0.54 -0.06 -1.17 0.00 0.00 0.00 175.76 173.98 1ffu s LEU 677 N 1.34 2.80 -0.02 0.00 0.20 -0.86 0.09 118.68 122.23 1ffu s LEU 677 Ca 0.02 -0.42 0.08 0.00 0.69 0.00 0.00 54.13 54.50 1ffu s LEU 677 Cb -0.14 -1.70 -0.02 0.00 -0.43 0.00 0.00 46.19 43.89 1ffu s LEU 677 CO -0.11 -0.01 -0.26 -1.81 -0.29 0.00 0.00 176.35 173.88 1ffu s ASP 678 N 1.42 3.03 -0.28 3.68 1.01 -0.60 -1.56 116.67 123.37 1ffu s ASP 678 Ca 0.05 -0.47 0.01 0.00 0.71 0.00 0.00 52.55 52.85 1ffu s ASP 678 Cb -0.14 -0.36 0.08 0.00 1.01 0.00 0.00 42.92 43.51 1ffu s ASP 678 CO -0.04 0.32 0.01 -0.62 0.21 0.00 0.00 175.17 175.04 1ffu s ASP 679 N -0.59 4.09 -0.30 0.27 -1.08 0.05 -3.54 116.67 115.57 1ffu s ASP 679 Ca 0.09 -1.51 0.08 0.00 -0.52 0.00 0.00 52.55 50.69 1ffu s ASP 679 Cb -0.10 -1.20 0.46 0.00 -1.46 0.00 0.00 42.92 40.63 1ffu s ASP 679 CO -0.01 -0.31 1.35 0.00 0.52 0.00 0.00 175.17 176.72 1ffu n GLY 681 N -0.96 1.55 3.67 0.00 0.00 -1.24 -0.67 105.19 107.53 1ffu n GLY 681 Ca 0.36 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 1ffu n GLY 681 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ffu s THR 682 N 0.00 3.01 -0.16 2.61 2.01 -0.73 -4.62 115.64 117.77 1ffu s THR 682 Ca 0.00 0.17 -0.21 0.00 0.31 0.00 0.00 61.69 61.96 1ffu s THR 682 Cb 0.00 -3.11 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 1ffu s THR 682 CO 0.00 -0.01 0.64 -0.13 -0.69 0.00 0.00 174.62 174.43 1ffu s ARG 683 N 3.92 4.28 -0.12 4.92 0.52 -1.26 -4.36 118.95 126.86 1ffu s ARG 683 Ca 0.84 0.67 -0.14 0.00 -0.52 0.00 0.00 55.73 56.58 1ffu s ARG 683 Cb -0.42 -3.53 -0.13 0.00 0.52 0.00 0.00 34.95 31.40 1ffu s ARG 683 CO 0.38 -0.13 0.40 0.82 0.02 0.00 0.00 175.30 176.79 1ffu h ILE 684 N 5.03 0.86 -2.87 1.52 2.04 -1.94 -3.17 117.51 118.98 1ffu h ILE 684 Ca -0.35 -1.62 -0.52 0.00 1.00 0.00 0.00 64.86 63.38 1ffu h ILE 684 Cb 1.16 1.62 -0.40 0.00 -0.74 0.00 0.00 36.82 38.45 1ffu h ILE 684 CO 0.77 0.29 -0.77 0.21 0.00 0.00 0.00 178.15 178.65 1ffu s ASN 685 N -5.84 3.32 0.52 1.72 3.84 -1.26 -0.34 114.94 116.89 1ffu s ASN 685 Ca -0.09 -1.17 0.17 0.00 0.21 0.00 0.00 52.86 51.98 1ffu s ASN 685 Cb -0.01 -0.36 1.27 0.00 -0.55 0.00 0.00 41.25 41.59 1ffu s ASN 685 CO 0.34 -0.42 2.12 1.55 -2.79 0.00 0.00 177.10 177.90 1ffu h PRO 686 N 8.39 0.03 -0.17 0.43 0.13 -1.82 -1.00 132.00 138.00 1ffu h PRO 686 Ca -0.19 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.93 1ffu h PRO 686 Cb 1.04 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1ffu h PRO 686 CO 0.41 0.02 0.04 1.98 -0.23 0.00 0.00 178.00 180.22 1ffu h MET 687 N 0.03 0.27 -0.75 0.86 4.05 -1.88 -0.84 114.93 116.66 1ffu h MET 687 Ca 0.05 -0.06 -0.06 0.00 -0.28 0.00 0.00 59.70 59.34 1ffu h MET 687 Cb 0.15 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.89 1ffu h MET 687 CO -0.00 0.41 0.23 0.82 0.23 0.00 0.00 176.91 178.60 1ffu h ILE 688 N 0.07 1.26 -0.79 1.77 2.04 -1.79 -2.59 117.51 117.49 1ffu h ILE 688 Ca 0.05 -0.93 0.01 0.00 1.00 0.00 0.00 64.86 65.00 1ffu h ILE 688 Cb 0.27 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 1ffu h ILE 688 CO 0.00 0.36 0.52 0.40 0.00 0.00 0.00 178.15 179.43 1ffu h ILE 689 N 1.12 1.19 -0.58 -0.67 2.04 -0.91 -2.14 117.51 117.55 1ffu h ILE 689 Ca 0.24 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1ffu h ILE 689 Cb 0.32 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 1ffu h ILE 689 CO -0.01 0.19 0.31 -0.08 0.00 0.00 0.00 178.15 178.57 1ffu h GLU 690 N 1.05 0.81 -0.63 2.37 4.81 -0.84 -1.80 114.58 120.36 1ffu h GLU 690 Ca 0.29 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1ffu h GLU 690 Cb -0.10 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.09 1ffu h GLU 690 CO -0.07 0.63 0.40 0.78 -0.73 0.00 0.00 179.01 180.02 1ffu h GLY 691 N 0.79 0.89 1.55 1.92 0.00 -1.07 -0.78 103.07 106.36 1ffu h GLY 691 Ca 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1ffu h GLY 691 CO -0.03 0.29 0.21 1.46 0.00 0.00 0.00 176.54 178.47 1ffu h GLN 692 N 0.81 0.59 -0.10 4.80 1.08 -1.04 -0.99 115.11 120.26 1ffu h GLN 692 Ca 0.24 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.35 1ffu h GLN 692 Cb -0.05 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.26 1ffu h GLN 692 CO -0.07 0.46 -0.05 0.82 -0.95 0.00 0.00 178.83 179.04 1ffu h ILE 693 N 0.60 1.32 -0.76 2.54 1.08 -0.45 -1.40 117.51 120.44 1ffu h ILE 693 Ca 0.15 -1.06 0.05 0.00 -0.39 0.00 0.00 64.86 63.61 1ffu h ILE 693 Cb 0.06 1.81 -0.05 0.00 -3.07 0.00 0.00 36.82 35.57 1ffu h ILE 693 CO -0.02 0.30 0.46 0.45 -0.69 0.00 0.00 178.15 178.65 1ffu h HIS 694 N -0.15 0.86 -0.45 1.37 3.86 -0.73 -0.32 115.15 119.60 1ffu h HIS 694 Ca 0.02 0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.12 1ffu h HIS 694 Cb 0.49 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 1ffu h HIS 694 CO 0.07 0.46 -0.24 0.78 0.86 0.00 0.00 177.93 179.85 1ffu h GLY 695 N 0.88 1.03 0.94 2.45 0.00 -1.17 -2.42 103.07 104.78 1ffu h GLY 695 Ca 0.32 -0.95 -0.09 0.00 0.00 0.00 0.00 47.33 46.62 1ffu h GLY 695 CO -0.15 0.86 -0.12 -1.33 0.00 0.00 0.00 176.54 175.80 1ffu h GLY 696 N 0.79 0.74 1.41 4.60 0.00 -0.77 -2.08 103.07 107.76 1ffu h GLY 696 Ca 0.10 -0.64 -0.08 0.00 0.00 0.00 0.00 47.33 46.71 1ffu h GLY 696 CO 0.07 0.58 -0.06 1.41 0.00 0.00 0.00 176.54 178.55 1ffu h LEU 697 N 0.46 0.69 -1.06 3.11 3.38 -1.11 -1.78 115.31 119.00 1ffu h LEU 697 Ca 0.08 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1ffu h LEU 697 Cb 0.64 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1ffu h LEU 697 CO 0.04 0.80 -0.21 0.74 0.09 0.00 0.00 178.44 179.90 1ffu h THR 698 N 0.66 1.25 -0.29 0.22 2.02 -1.33 -0.96 112.91 114.47 1ffu h THR 698 Ca 0.12 -1.14 -0.13 0.00 0.77 0.00 0.00 66.41 66.03 1ffu h THR 698 Cb 0.49 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1ffu h THR 698 CO 0.03 0.36 -0.37 -0.33 0.37 0.00 0.00 175.52 175.57 1ffu h GLU 699 N 0.38 0.66 -0.24 6.66 5.08 -0.93 -1.88 114.58 124.31 1ffu h GLU 699 Ca 0.06 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 1ffu h GLU 699 Cb 0.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1ffu h GLU 699 CO 0.04 0.93 0.10 0.78 -1.00 0.00 0.00 179.01 179.86 1ffu h GLY 700 N 0.99 0.38 0.89 -3.84 0.00 -0.68 0.75 103.07 101.56 1ffu h GLY 700 Ca 0.05 -0.20 0.05 0.00 0.00 0.00 0.00 47.33 47.23 1ffu h GLY 700 CO 0.08 0.19 0.62 -1.82 0.00 0.00 0.00 176.54 175.61 1ffu h TYR 701 N 0.24 1.14 -0.02 5.60 5.03 -1.09 0.53 116.97 128.39 1ffu h TYR 701 Ca 0.08 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.42 1ffu h TYR 701 Cb 0.16 -0.38 -0.00 0.00 1.55 0.00 0.00 36.73 38.06 1ffu h TYR 701 CO -0.01 0.63 0.01 0.00 -1.32 0.00 0.00 178.16 177.47 1ffu h ALA 702 N 1.46 0.02 0.37 1.82 0.00 -0.63 -0.61 119.26 121.70 1ffu h ALA 702 Ca 0.39 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1ffu h ALA 702 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ffu h ALA 702 CO -0.13 -0.43 -0.18 0.28 0.00 0.00 0.00 179.25 178.79 1ffu h VAL 703 N -0.07 0.63 -0.44 0.00 2.07 -0.13 0.50 116.25 118.81 1ffu h VAL 703 Ca 0.01 -0.40 -0.13 0.00 0.82 0.00 0.00 66.70 67.00 1ffu h VAL 703 Cb 0.09 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1ffu h VAL 703 CO -0.00 0.08 -0.24 0.00 0.02 0.00 0.00 177.57 177.43 1ffu h ALA 704 N -0.19 0.74 0.00 1.67 0.00 -0.98 -3.30 119.26 117.20 1ffu h ALA 704 Ca -0.05 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1ffu h ALA 704 Cb 0.50 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ffu h ALA 704 CO 0.08 0.66 -1.01 -1.33 0.00 0.00 0.00 179.25 177.65 1ffu n MET 705 N -4.10 0.41 0.00 0.00 2.00 -0.24 0.63 117.12 115.83 1ffu n MET 705 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 57.70 57.74 1ffu n MET 705 Cb 0.46 -1.68 0.00 0.00 0.00 0.00 0.00 33.22 32.00 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 1.30 0.00 3.76 3.03 0.00 -0.88 -3.30 105.19 109.10 1ffu n GLY 706 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.69 4.58 -0.06 1.61 -0.21 0.11 -4.59 119.66 120.42 1ffu s GLN 707 Ca 0.00 1.83 -0.31 0.00 0.02 0.00 0.00 55.36 56.90 1ffu s GLN 707 Cb 0.00 -3.14 0.11 0.00 1.00 0.00 0.00 33.01 30.98 1ffu s GLN 707 CO 0.00 0.15 1.06 1.14 -2.12 0.00 0.00 175.29 175.53 1ffu s GLN 708 N -1.54 0.62 -0.47 2.91 -2.07 -1.26 -4.47 119.66 113.38 1ffu s GLN 708 Ca 0.46 -0.26 0.06 0.00 -1.82 0.00 0.00 55.36 53.80 1ffu s GLN 708 Cb -0.32 0.26 0.21 0.00 -1.09 0.00 0.00 33.01 32.07 1ffu s GLN 708 CO 0.41 -0.27 0.48 -1.33 -1.32 0.00 0.00 175.29 173.26 1ffu n MET 709 N -0.24 0.88 -2.33 9.60 2.81 -1.01 -4.93 117.12 121.90 1ffu n MET 709 Ca -0.05 -3.55 -0.39 0.00 -1.81 0.00 0.00 57.70 51.90 1ffu n MET 709 Cb 0.60 -1.65 -0.03 0.00 -0.71 0.00 0.00 33.22 31.43 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 -0.92 4.34 -0.01 0.03 0.04 -1.26 -4.89 135.00 132.33 1ffu s PRO 710 Ca 0.34 1.90 0.08 0.00 0.04 0.00 0.00 61.00 63.35 1ffu s PRO 710 Cb 0.09 -2.94 -0.02 0.00 0.04 0.00 0.00 34.50 31.67 1ffu s PRO 710 CO -0.14 -0.09 -0.25 -0.06 0.04 0.00 0.00 177.00 176.50 1ffu s PHE 711 N -1.28 2.37 0.46 0.56 0.40 -1.26 -0.48 117.98 118.76 1ffu s PHE 711 Ca 0.51 -0.40 -0.05 0.00 -0.60 0.00 0.00 56.93 56.38 1ffu s PHE 711 Cb -0.33 -1.50 0.10 0.00 0.51 0.00 0.00 43.02 41.81 1ffu s PHE 711 CO 0.42 0.01 0.63 -0.40 0.70 0.00 0.00 175.22 176.59 1ffu n ASP 712 N 2.31 0.32 0.12 1.36 5.68 -0.94 -4.91 116.55 120.49 1ffu n ASP 712 Ca -0.16 -1.39 0.04 0.00 -0.50 0.00 0.00 54.79 52.78 1ffu n ASP 712 Cb 0.51 -0.46 0.47 0.00 -1.14 0.00 0.00 41.12 40.50 1ffu n ASP 712 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ffu h ALA 713 N -1.35 1.70 -0.01 2.12 0.00 -2.01 -2.07 119.26 117.65 1ffu h ALA 713 Ca -0.21 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1ffu h ALA 713 Cb 0.63 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ffu h ALA 713 CO 0.17 0.23 -0.00 1.04 0.00 0.00 0.00 179.25 180.69 1ffu n GLN 714 N -4.41 1.36 -0.61 0.00 6.02 -1.26 -4.87 117.38 113.60 1ffu n GLN 714 Ca -0.00 -0.55 0.00 0.00 -0.01 0.00 0.00 57.00 56.44 1ffu n GLN 714 Cb 0.15 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.92 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 0.71 3.73 1.08 0.00 -0.78 -4.51 105.19 106.53 1ffu n GLY 715 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.16 7.21 -0.18 1.61 0.01 -1.26 -4.69 114.94 115.48 1ffu s ASN 716 Ca 0.00 2.02 -0.29 0.00 -0.71 0.00 0.00 52.86 53.88 1ffu s ASN 716 Cb 0.00 -2.59 -0.00 0.00 0.41 0.00 0.00 41.25 39.06 1ffu s ASN 716 CO 0.00 -0.32 1.11 -0.22 -1.51 0.00 0.00 177.10 176.17 1ffu s LEU 717 N 0.28 4.16 0.12 0.60 0.20 -1.26 -2.21 118.68 120.57 1ffu s LEU 717 Ca 0.53 1.53 -0.02 0.00 0.69 0.00 0.00 54.13 56.86 1ffu s LEU 717 Cb -0.29 -3.54 -0.05 0.00 -0.43 0.00 0.00 46.19 41.89 1ffu s LEU 717 CO 0.32 -0.66 0.30 -0.76 -0.29 0.00 0.00 176.35 175.27 1ffu s LEU 718 N 3.03 4.30 -1.26 -0.68 1.43 0.37 -4.56 118.68 121.31 1ffu s LEU 718 Ca 0.49 0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 53.96 1ffu s LEU 718 Cb -0.18 -3.12 0.01 0.00 0.03 0.00 0.00 46.19 42.93 1ffu s LEU 718 CO 0.12 0.08 1.01 0.61 0.23 0.00 0.00 176.35 178.40 1ffu n GLY 719 N -0.00 -0.40 1.50 -3.19 0.00 -1.26 -4.17 105.19 97.66 1ffu n GLY 719 Ca -0.04 0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.09 4.43 -4.31 1.61 2.04 -1.26 -3.76 115.26 110.93 1ffu n ASN 720 Ca -0.21 -2.46 -0.21 0.00 -0.44 0.00 0.00 54.58 51.26 1ffu n ASN 720 Cb 0.64 -0.56 -0.10 0.00 -2.53 0.00 0.00 39.78 37.23 1ffu n ASN 720 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1ffu s THR 721 N -1.92 0.84 -1.85 5.53 -4.23 -1.26 -4.25 115.64 108.50 1ffu s THR 721 Ca 0.46 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.13 1ffu s THR 721 Cb 0.30 -2.62 0.42 0.00 1.34 0.00 0.00 72.50 71.94 1ffu s THR 721 CO 0.21 0.00 1.41 0.18 -0.54 0.00 0.00 174.62 175.87 1ffu n LEU 722 N -0.69 0.00 0.00 4.79 4.77 -1.26 -0.25 117.00 124.36 1ffu n LEU 722 Ca -0.03 0.07 -0.03 0.00 -0.03 0.00 0.00 56.01 56.00 1ffu n LEU 722 Cb 0.66 -0.07 0.22 0.00 -2.33 0.00 0.00 43.42 41.90 1ffu n LEU 722 CO 0.39 -0.04 0.79 0.24 -1.33 0.00 0.00 177.39 177.45 1ffu h MET 723 N 0.00 0.52 0.00 3.23 2.86 -1.95 -3.38 114.93 116.21 1ffu h MET 723 Ca 0.00 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1ffu h MET 723 Cb 0.04 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1ffu h MET 723 CO 0.00 0.67 -0.71 -0.25 1.06 0.00 0.00 176.91 177.68 1ffu n ASP 724 N -4.17 3.18 -4.60 1.22 8.00 -0.91 -5.01 116.55 114.26 1ffu n ASP 724 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 1ffu n ASP 724 Cb 0.36 0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 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 -1.71 1.46 0.17 1.24 5.04 0.66 -4.91 117.35 119.30 1ffu s TYR 725 Ca 0.00 0.57 -0.32 0.00 -2.44 0.00 0.00 57.07 54.88 1ffu s TYR 725 Cb 0.00 -4.02 -0.11 0.00 0.35 0.00 0.00 41.96 38.19 1ffu s TYR 725 CO 0.00 -3.59 1.64 0.12 -1.34 0.00 0.00 175.55 172.38 1ffu s PHE 726 N 7.62 2.93 -0.18 4.97 5.36 -1.26 -4.63 117.98 132.79 1ffu s PHE 726 Ca 0.91 0.48 -0.04 0.00 -0.96 0.00 0.00 56.93 57.32 1ffu s PHE 726 Cb -0.28 -4.01 0.09 0.00 -0.34 0.00 0.00 43.02 38.47 1ffu s PHE 726 CO 0.34 -3.81 0.28 -0.51 -1.46 0.00 0.00 175.22 170.06 1ffu s LEU 727 N 1.32 -0.32 0.52 6.12 1.43 -1.26 -4.68 118.68 121.81 1ffu s LEU 727 Ca 0.72 0.25 -0.22 0.00 -1.03 0.00 0.00 54.13 53.86 1ffu s LEU 727 Cb -0.46 0.71 -0.06 0.00 0.03 0.00 0.00 46.19 46.42 1ffu s LEU 727 CO 0.32 -0.28 1.27 -2.16 0.23 0.00 0.00 176.35 175.72 1ffu s PRO 728 N 2.42 3.33 0.55 1.29 0.04 -1.26 -5.05 135.00 136.33 1ffu s PRO 728 Ca 0.05 2.01 0.08 0.00 0.04 0.00 0.00 61.00 63.18 1ffu s PRO 728 Cb -0.14 -2.26 0.06 0.00 0.04 0.00 0.00 34.50 32.20 1ffu s PRO 728 CO -0.11 -0.97 0.60 0.95 0.04 0.00 0.00 177.00 177.51 1ffu s THR 729 N -1.43 1.95 0.61 1.26 -4.23 -1.26 -4.91 115.64 107.63 1ffu s THR 729 Ca 0.70 -1.24 0.29 0.00 -1.18 0.00 0.00 61.69 60.27 1ffu s THR 729 Cb -0.35 -2.19 0.36 0.00 1.34 0.00 0.00 72.50 71.67 1ffu s THR 729 CO 0.41 0.00 1.99 0.00 -0.54 0.00 0.00 174.62 176.48 1ffu h ALA 730 N 0.47 1.84 0.08 3.99 0.00 -1.97 -1.01 119.26 122.67 1ffu h ALA 730 Ca -0.33 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.31 1ffu h ALA 730 Cb 1.29 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.11 1ffu h ALA 730 CO 0.49 -0.46 -1.12 0.28 0.00 0.00 0.00 179.25 178.44 1ffu h VAL 731 N 0.00 1.43 0.00 0.00 2.07 -2.02 -3.32 116.25 114.41 1ffu h VAL 731 Ca 0.12 -2.73 -0.09 0.00 0.82 0.00 0.00 66.70 64.82 1ffu h VAL 731 Cb 0.78 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 33.24 1ffu h VAL 731 CO -0.00 0.81 -0.71 -0.33 0.02 0.00 0.00 177.57 177.36 1ffu h GLU 732 N 0.16 0.00 -6.22 1.57 3.07 -1.58 -3.45 114.58 108.13 1ffu h GLU 732 Ca -0.12 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.17 1ffu h GLU 732 Cb 1.80 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.66 1ffu h GLU 732 CO 0.19 0.30 0.88 0.99 -1.40 0.00 0.00 179.01 179.97 1ffu s THR 733 N -3.04 4.42 0.79 1.13 2.01 -0.79 -4.95 115.64 115.21 1ffu s THR 733 Ca 0.02 1.67 -0.11 0.00 0.31 0.00 0.00 61.69 63.58 1ffu s THR 733 Cb 0.08 -4.23 0.07 0.00 0.01 0.00 0.00 72.50 68.42 1ffu s THR 733 CO 0.76 -0.32 1.09 -2.16 -0.69 0.00 0.00 174.62 173.29 1ffu s PRO 734 N 3.62 2.09 -0.02 4.92 0.04 -1.26 -4.96 135.00 139.43 1ffu s PRO 734 Ca 0.50 1.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.29 1ffu s PRO 734 Cb -0.16 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1ffu s PRO 734 CO 0.14 -1.72 1.17 -1.58 0.04 0.00 0.00 177.00 175.05 1ffu s HIS 735 N -2.93 3.31 0.01 0.56 5.65 -1.26 -5.01 115.29 115.62 1ffu s HIS 735 Ca 0.61 1.30 -0.14 0.00 0.25 0.00 0.00 55.06 57.09 1ffu s HIS 735 Cb -0.17 -3.38 -0.06 0.00 -1.18 0.00 0.00 32.58 27.79 1ffu s HIS 735 CO 0.56 -1.13 0.40 -1.58 -0.65 0.00 0.00 174.74 172.34 1ffu s TRP 736 N 1.79 3.70 -0.18 3.88 0.52 -1.26 -4.51 118.94 122.88 1ffu s TRP 736 Ca 0.56 0.95 -0.03 0.00 0.02 0.00 0.00 56.10 57.60 1ffu s TRP 736 Cb -0.25 -2.26 -0.01 0.00 -1.15 0.00 0.00 33.47 29.80 1ffu s TRP 736 CO 0.24 0.62 -0.07 -1.21 0.02 0.00 0.00 176.95 176.55 1ffu s GLU 737 N -1.23 3.41 0.16 4.98 2.02 -0.73 -5.05 118.70 122.25 1ffu s GLU 737 Ca 0.25 -0.64 0.10 0.00 0.02 0.00 0.00 54.97 54.71 1ffu s GLU 737 Cb -0.16 -2.87 -0.04 0.00 0.10 0.00 0.00 34.13 31.16 1ffu s GLU 737 CO 0.14 -0.02 -0.20 0.95 0.02 0.00 0.00 175.26 176.15 1ffu s THR 738 N 0.99 2.64 0.30 3.63 -4.23 -1.26 0.36 115.64 118.07 1ffu s THR 738 Ca -0.01 -1.75 -0.09 0.00 -1.18 0.00 0.00 61.69 58.66 1ffu s THR 738 Cb -0.15 -2.24 0.00 0.00 1.34 0.00 0.00 72.50 71.46 1ffu s THR 738 CO -0.00 -0.01 0.50 -0.62 -0.54 0.00 0.00 174.62 173.95 1ffu s ASP 739 N -2.42 0.27 0.10 3.99 -1.08 0.11 -4.90 116.67 112.75 1ffu s ASP 739 Ca 0.19 -1.16 -0.26 0.00 -0.52 0.00 0.00 52.55 50.81 1ffu s ASP 739 Cb -0.09 0.64 0.08 0.00 -1.46 0.00 0.00 42.92 42.08 1ffu s ASP 739 CO 0.10 -1.25 0.89 -1.38 0.52 0.00 0.00 175.17 174.05 1ffu s HIS 740 N -3.49 -0.25 0.10 -5.34 -3.43 -1.26 -1.56 115.29 100.06 1ffu s HIS 740 Ca 0.25 0.00 0.00 0.00 -0.80 0.00 0.00 55.06 54.51 1ffu s HIS 740 Cb -0.01 0.60 -0.04 0.00 -1.43 0.00 0.00 32.58 31.70 1ffu s HIS 740 CO 0.13 -0.75 -0.01 0.95 -2.00 0.00 0.00 174.74 173.06 1ffu s THR 741 N -3.30 0.37 -0.37 -5.38 -4.23 -1.23 -4.96 115.64 96.54 1ffu s THR 741 Ca 0.09 -1.89 0.04 0.00 -1.18 0.00 0.00 61.69 58.74 1ffu s THR 741 Cb -0.01 -1.79 0.11 0.00 1.34 0.00 0.00 72.50 72.14 1ffu s THR 741 CO -0.03 -0.75 0.09 -0.69 -0.54 0.00 0.00 174.62 172.70 1ffu s VAL 742 N -3.84 2.27 -0.52 2.29 1.01 -1.26 -4.39 120.40 115.96 1ffu s VAL 742 Ca 0.15 -2.47 0.03 0.00 0.00 0.00 0.00 61.98 59.69 1ffu s VAL 742 Cb 0.07 -2.66 0.13 0.00 0.00 0.00 0.00 36.38 33.92 1ffu s VAL 742 CO -0.04 -0.64 0.26 -0.89 0.00 0.00 0.00 175.10 173.80 1ffu s THR 743 N 0.73 2.66 0.70 3.92 2.01 -1.26 -4.94 115.64 119.45 1ffu s THR 743 Ca 0.12 -3.23 -0.16 0.00 0.31 0.00 0.00 61.69 58.73 1ffu s THR 743 Cb -0.20 -2.85 0.02 0.00 0.01 0.00 0.00 72.50 69.48 1ffu s THR 743 CO -0.07 -0.79 1.26 -2.84 -0.69 0.00 0.00 174.62 171.48 1ffu s PRO 744 N -0.20 2.28 -0.34 4.92 0.02 -1.26 -3.73 135.00 136.70 1ffu s PRO 744 Ca 0.17 1.94 -0.26 0.00 0.02 0.00 0.00 61.00 62.86 1ffu s PRO 744 Cb -0.25 -1.83 0.01 0.00 0.02 0.00 0.00 34.50 32.45 1ffu s PRO 744 CO -0.01 -1.78 0.95 0.45 -0.33 0.00 0.00 177.00 176.28 1ffu s SER 745 N -1.67 6.77 0.26 2.53 0.15 -0.84 -4.76 113.70 116.14 1ffu s SER 745 Ca 0.79 0.77 -0.03 0.00 0.70 0.00 0.00 55.95 58.18 1ffu s SER 745 Cb -0.34 -2.48 0.42 0.00 -1.71 0.00 0.00 66.02 61.91 1ffu s SER 745 CO 0.43 -0.81 1.84 -0.65 1.20 0.00 0.00 173.24 175.25 1ffu h PRO 746 N 8.26 0.93 0.00 5.44 0.11 -1.90 -2.62 132.00 142.20 1ffu h PRO 746 Ca -0.22 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1ffu h PRO 746 Cb 1.08 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1ffu h PRO 746 CO 0.98 0.61 0.00 1.12 -0.21 0.00 0.00 178.00 180.50 1ffu h HIS 747 N 0.95 0.00 -3.53 0.65 2.07 -1.94 -3.46 115.15 109.90 1ffu h HIS 747 Ca 0.42 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 57.42 1ffu h HIS 747 Cb 0.31 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.27 1ffu h HIS 747 CO -0.03 0.00 0.35 -1.58 -3.07 0.00 0.00 177.93 173.60 1ffu s HIS 748 N -3.20 3.78 0.57 6.12 5.04 -0.99 -4.95 115.29 121.65 1ffu s HIS 748 Ca 0.08 1.76 0.32 0.00 -1.54 0.00 0.00 55.06 55.67 1ffu s HIS 748 Cb 0.11 -3.05 1.44 0.00 0.04 0.00 0.00 32.58 31.12 1ffu s HIS 748 CO 0.52 0.17 1.80 -1.35 -2.34 0.00 0.00 174.74 173.53 1ffu h PRO 749 N 5.82 0.00 0.00 2.88 0.11 -1.88 -0.71 132.00 138.22 1ffu h PRO 749 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1ffu h PRO 749 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ffu h PRO 749 CO 0.72 0.00 -0.09 0.44 -0.21 0.00 0.00 178.00 178.86 1ffu n ILE 750 N -3.90 0.71 -1.38 4.15 -5.35 -1.26 -5.00 119.36 107.33 1ffu n ILE 750 Ca 0.17 -0.79 -0.13 0.00 -0.27 0.00 0.00 62.75 61.73 1ffu n ILE 750 Cb 1.01 0.49 -0.06 0.00 -1.74 0.00 0.00 39.64 39.34 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 -0.46 1.30 3.77 3.28 0.00 -0.28 -4.60 105.19 108.20 1ffu n GLY 751 Ca 0.03 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.22 3.46 0.14 4.61 0.00 -1.26 -1.78 121.76 124.71 1ffu s ALA 752 Ca 0.00 0.17 0.08 0.00 0.00 0.00 0.00 51.96 52.21 1ffu s ALA 752 Cb 0.00 -2.84 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 1ffu s ALA 752 CO 0.00 0.19 -0.09 0.15 0.00 0.00 0.00 175.76 176.01 1ffu s LYS 753 N -0.46 2.11 1.04 0.00 1.02 0.15 -4.58 119.74 119.02 1ffu s LYS 753 Ca 0.34 -1.13 -0.12 0.00 0.02 0.00 0.00 55.97 55.07 1ffu s LYS 753 Cb -0.20 -2.25 0.21 0.00 -0.52 0.00 0.00 37.83 35.08 1ffu s LYS 753 CO 0.21 0.47 1.07 0.20 -0.92 0.00 0.00 175.35 176.38 1ffu s GLY 754 N -2.52 1.58 0.00 -3.33 0.00 -1.26 -4.73 107.32 97.06 1ffu s GLY 754 Ca 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.81 1ffu s GLY 754 CO 0.15 0.48 0.00 1.55 0.00 0.00 0.00 173.10 175.28 1ffu n VAL 755 N -4.43 0.00 -0.32 1.40 3.14 -1.26 -4.71 118.33 112.14 1ffu n VAL 755 Ca 0.05 0.00 0.21 0.00 -2.96 0.00 0.00 64.34 61.64 1ffu n VAL 755 Cb 0.55 0.00 0.42 0.00 -1.06 0.00 0.00 33.84 33.75 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 1.73 0.00 1.55 0.00 -1.93 -1.24 119.26 119.37 1ffu h ALA 756 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ffu h ALA 756 Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ffu h ALA 756 CO 0.00 -0.56 -0.42 0.39 0.00 0.00 0.00 179.25 178.66 1ffu n GLU 757 N -5.13 0.07 0.11 0.00 1.02 -1.26 -4.21 120.64 111.23 1ffu n GLU 757 Ca 0.29 0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 57.32 1ffu n GLU 757 Cb 0.90 -1.55 -0.07 0.00 -0.02 0.00 0.00 31.44 30.71 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 -0.29 -0.74 1.62 0.02 -1.59 -0.95 113.55 111.63 1ffu h SER 758 Ca 0.00 0.02 0.12 0.00 -0.84 0.00 0.00 61.79 61.09 1ffu h SER 758 Cb 0.56 0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.14 1ffu h SER 758 CO 0.00 -0.17 0.49 1.55 -1.14 0.00 0.00 176.83 177.55 1ffu h PRO 759 N -0.26 0.54 -0.00 3.45 0.13 -1.73 0.90 132.00 135.02 1ffu h PRO 759 Ca -0.00 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1ffu h PRO 759 Cb 0.24 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.25 1ffu h PRO 759 CO -0.01 0.35 -0.01 1.25 -0.23 0.00 0.00 178.00 179.35 1ffu h HIS 760 N 0.55 0.01 -0.29 1.56 -0.00 -1.56 -1.82 115.15 113.61 1ffu h HIS 760 Ca 0.35 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.71 1ffu h HIS 760 Cb 0.61 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.00 1ffu h HIS 760 CO -0.00 0.62 0.15 0.28 -0.00 0.00 0.00 177.93 178.97 1ffu h VAL 761 N -0.60 1.14 0.06 5.26 2.07 -0.66 -3.24 116.25 120.30 1ffu h VAL 761 Ca -0.00 -0.40 -0.25 0.00 0.82 0.00 0.00 66.70 66.86 1ffu h VAL 761 Cb 0.62 0.88 0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1ffu h VAL 761 CO 0.00 0.15 -1.03 1.23 0.02 0.00 0.00 177.57 177.93 1ffu h GLY 762 N 0.34 0.66 1.22 2.17 0.00 -0.94 -3.36 103.07 103.15 1ffu h GLY 762 Ca 0.10 -1.28 -0.02 0.00 0.00 0.00 0.00 47.33 46.13 1ffu h GLY 762 CO -0.01 1.13 0.39 1.48 0.00 0.00 0.00 176.54 179.53 1ffu h SER 763 N 0.19 0.92 0.21 0.19 4.64 -1.41 -3.19 113.55 115.09 1ffu h SER 763 Ca -0.15 -0.08 0.01 0.00 -0.47 0.00 0.00 61.79 61.10 1ffu h SER 763 Cb 1.72 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 63.54 1ffu h SER 763 CO 0.20 0.75 -0.33 0.40 -0.87 0.00 0.00 176.83 176.98 1ffu h ILE 764 N 1.03 0.31 0.00 0.95 2.04 -1.70 -1.83 117.51 118.31 1ffu h ILE 764 Ca 0.26 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.12 1ffu h ILE 764 Cb 0.04 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1ffu h ILE 764 CO -0.04 0.00 0.00 1.55 0.00 0.00 0.00 178.15 179.66 1ffu h PRO 765 N -0.61 0.00 -0.22 2.37 0.13 -1.76 -2.41 132.00 129.50 1ffu h PRO 765 Ca 0.01 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.96 1ffu h PRO 765 Cb 0.60 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 1ffu h PRO 765 CO -0.14 0.00 -0.60 1.15 -0.23 0.00 0.00 178.00 178.19 1ffu h THR 766 N 0.00 1.30 -0.12 1.56 2.02 -1.33 0.29 112.91 116.62 1ffu h THR 766 Ca 0.00 -1.82 -0.03 0.00 0.77 0.00 0.00 66.41 65.33 1ffu h THR 766 Cb 0.31 1.76 -0.00 0.00 -1.74 0.00 0.00 68.15 68.48 1ffu h THR 766 CO 0.00 0.58 -0.03 -0.26 0.37 0.00 0.00 175.52 176.18 1ffu h PHE 767 N 0.54 0.26 -0.94 3.16 0.04 -0.93 -1.24 116.94 117.82 1ffu h PHE 767 Ca -0.00 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1ffu h PHE 767 Cb 1.19 -0.06 -0.05 0.00 2.20 0.00 0.00 35.95 39.23 1ffu h PHE 767 CO 0.06 0.52 0.59 1.15 -0.60 0.00 0.00 178.31 180.04 1ffu h THR 768 N -0.09 1.25 -0.45 -1.55 2.02 -1.48 -0.28 112.91 112.33 1ffu h THR 768 Ca 0.03 -0.51 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 1ffu h THR 768 Cb 0.44 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 1ffu h THR 768 CO 0.01 0.25 0.22 0.00 0.37 0.00 0.00 175.52 176.37 1ffu h ALA 769 N 1.37 1.53 -0.04 6.16 0.00 -0.72 0.93 119.26 128.48 1ffu h ALA 769 Ca 0.34 -0.10 -0.23 0.00 0.00 0.00 0.00 54.91 54.92 1ffu h ALA 769 Cb -0.10 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 17.52 1ffu h ALA 769 CO -0.07 0.38 -0.89 0.00 0.00 0.00 0.00 179.25 178.67 1ffu h ALA 770 N 1.61 0.16 -0.03 0.00 0.00 -0.21 -1.12 119.26 119.66 1ffu h ALA 770 Ca 0.16 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1ffu h ALA 770 Cb 0.07 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ffu h ALA 770 CO -0.02 0.62 -0.01 0.28 0.00 0.00 0.00 179.25 180.12 1ffu h VAL 771 N 0.34 1.28 -0.72 0.00 2.07 -0.78 -2.73 116.25 115.71 1ffu h VAL 771 Ca -0.10 -0.87 -0.05 0.00 0.82 0.00 0.00 66.70 66.50 1ffu h VAL 771 Cb 1.55 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 33.09 1ffu h VAL 771 CO 0.18 0.23 0.24 0.58 0.02 0.00 0.00 177.57 178.82 1ffu h VAL 772 N -0.28 1.25 0.00 2.57 2.07 -0.91 -1.91 116.25 119.04 1ffu h VAL 772 Ca 0.01 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 1ffu h VAL 772 Cb 0.38 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1ffu h VAL 772 CO 0.00 0.34 -0.07 -0.78 0.02 0.00 0.00 177.57 177.09 1ffu h ASP 773 N 1.05 0.00 0.62 0.57 3.58 -1.16 0.59 116.42 121.68 1ffu h ASP 773 Ca 0.23 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.65 1ffu h ASP 773 Cb 0.27 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 1ffu h ASP 773 CO -0.01 0.07 -0.17 0.00 -2.88 0.00 0.00 179.24 176.25 1ffu h ALA 774 N 1.93 1.15 -0.02 -0.78 0.00 -1.02 -2.53 119.26 117.99 1ffu h ALA 774 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ffu h ALA 774 Cb 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ffu h ALA 774 CO 0.01 0.21 -0.22 1.19 0.00 0.00 0.00 179.25 180.44 1ffu n PHE 775 N -3.51 0.00 -0.26 0.00 3.01 0.03 -4.64 117.46 112.09 1ffu n PHE 775 Ca -0.01 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.56 1ffu n PHE 775 Cb 0.33 0.00 0.37 0.00 -0.01 0.00 0.00 39.48 40.16 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 3.34 1.80 0.00 4.37 0.00 -0.64 -2.10 119.26 126.04 1ffu h ALA 776 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ffu h ALA 776 Cb 0.68 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ffu h ALA 776 CO 0.00 -0.02 0.00 -2.39 0.00 0.00 0.00 179.25 176.84 1ffu n HIS 777 N -4.55 0.00 -0.35 0.00 1.44 -1.26 -1.92 115.22 108.58 1ffu n HIS 777 Ca 0.16 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.92 1ffu n HIS 777 Cb 0.43 -0.26 0.10 0.00 0.12 0.00 0.00 29.99 30.37 1ffu n HIS 777 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 1ffu n VAL 778 N -1.26 1.30 -0.06 0.61 0.24 -0.80 -5.00 118.33 113.36 1ffu n VAL 778 Ca 0.08 -1.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.05 1ffu n VAL 778 Cb 0.12 0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.77 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 -0.38 0.46 3.70 7.63 0.00 -0.81 -5.06 105.19 110.73 1ffu n GLY 779 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.18 3.08 -0.18 1.61 1.01 -1.13 -4.90 120.40 117.72 1ffu s VAL 780 Ca 0.00 0.67 0.17 0.00 0.00 0.00 0.00 61.98 62.82 1ffu s VAL 780 Cb 0.00 -3.43 -0.24 0.00 0.00 0.00 0.00 36.38 32.71 1ffu s VAL 780 CO 0.00 0.03 0.09 0.35 0.00 0.00 0.00 175.10 175.57 1ffu n THR 781 N 4.31 1.23 -3.59 3.92 -2.24 -1.26 -4.24 114.28 112.41 1ffu n THR 781 Ca 0.14 -0.79 -0.13 0.00 -2.27 0.00 0.00 64.05 61.00 1ffu n THR 781 Cb 0.41 -0.46 -0.06 0.00 -2.10 0.00 0.00 70.33 68.12 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 -2.53 -0.56 -0.07 4.78 2.46 -1.26 -4.75 115.29 113.37 1ffu s HIS 782 Ca -0.09 1.16 0.00 0.00 0.47 0.00 0.00 55.06 56.60 1ffu s HIS 782 Cb 0.06 0.38 0.02 0.00 -0.13 0.00 0.00 32.58 32.91 1ffu s HIS 782 CO 0.79 -0.39 -0.04 -0.51 -2.47 0.00 0.00 174.74 172.12 1ffu s LEU 783 N -0.48 1.12 0.47 8.88 1.43 -1.26 -5.10 118.68 123.74 1ffu s LEU 783 Ca -0.02 -0.16 -0.23 0.00 -1.03 0.00 0.00 54.13 52.68 1ffu s LEU 783 Cb -0.02 -0.55 -0.07 0.00 0.03 0.00 0.00 46.19 45.57 1ffu s LEU 783 CO 0.02 -0.10 1.22 -1.81 0.23 0.00 0.00 176.35 175.91 1ffu s ASP 784 N 1.34 5.99 0.60 2.29 1.01 -1.26 -4.98 116.67 121.65 1ffu s ASP 784 Ca -0.04 2.45 -0.13 0.00 0.71 0.00 0.00 52.55 55.54 1ffu s ASP 784 Cb -0.14 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.14 1ffu s ASP 784 CO -0.03 -1.05 1.03 -0.04 0.21 0.00 0.00 175.17 175.29 1ffu s MET 785 N -2.68 3.48 0.49 8.23 -1.94 -1.26 -4.54 119.30 121.06 1ffu s MET 785 Ca 0.64 0.95 -0.13 0.00 -1.71 0.00 0.00 55.69 55.45 1ffu s MET 785 Cb -0.32 -2.06 -0.07 0.00 2.01 0.00 0.00 34.83 34.39 1ffu s MET 785 CO 0.39 -0.67 0.90 -2.14 -0.01 0.00 0.00 175.02 173.50 1ffu s PRO 786 N -4.61 3.83 -1.16 2.03 0.02 -1.26 -4.75 135.00 129.10 1ffu s PRO 786 Ca 0.59 0.72 -0.06 0.00 0.02 0.00 0.00 61.00 62.27 1ffu s PRO 786 Cb -0.12 -2.23 0.25 0.00 0.02 0.00 0.00 34.50 32.41 1ffu s PRO 786 CO 0.44 -0.22 1.71 0.72 -0.33 0.00 0.00 177.00 179.33 1ffu n HIS 787 N -1.65 2.52 -2.04 6.54 8.25 0.21 -4.82 115.22 124.23 1ffu n HIS 787 Ca 0.05 -2.65 -0.27 0.00 -0.26 0.00 0.00 57.72 54.58 1ffu n HIS 787 Cb 0.54 -1.51 0.08 0.00 1.12 0.00 0.00 29.99 30.22 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 -1.81 2.14 0.19 1.59 -4.23 -1.21 -4.68 115.64 107.63 1ffu s THR 788 Ca 0.36 -0.12 -0.12 0.00 -1.18 0.00 0.00 61.69 60.63 1ffu s THR 788 Cb 0.09 -3.00 0.10 0.00 1.34 0.00 0.00 72.50 71.03 1ffu s THR 788 CO 0.04 -0.00 1.84 0.28 -0.54 0.00 0.00 174.62 176.23 1ffu h SER 789 N -0.84 0.64 0.61 3.99 0.02 -1.88 0.86 113.55 116.96 1ffu h SER 789 Ca -0.45 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.47 1ffu h SER 789 Cb 1.32 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 1ffu h SER 789 CO 0.63 0.46 -0.41 0.22 -1.14 0.00 0.00 176.83 176.59 1ffu h TYR 790 N 0.77 -1.10 -0.69 3.45 3.20 -1.85 0.17 116.97 120.92 1ffu h TYR 790 Ca 0.24 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 1ffu h TYR 790 Cb -0.02 0.40 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 1ffu h TYR 790 CO -0.05 -0.61 0.32 0.00 -1.64 0.00 0.00 178.16 176.19 1ffu h ARG 791 N -0.98 1.00 -0.15 1.82 3.08 -1.85 -1.84 114.38 115.46 1ffu h ARG 791 Ca -0.07 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.74 1ffu h ARG 791 Cb 0.81 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1ffu h ARG 791 CO 0.05 0.80 -0.27 0.28 -1.07 0.00 0.00 179.97 179.76 1ffu h VAL 792 N 0.97 1.25 -0.53 2.04 2.07 -0.74 -2.60 116.25 118.71 1ffu h VAL 792 Ca 0.24 -1.18 -0.12 0.00 0.82 0.00 0.00 66.70 66.46 1ffu h VAL 792 Cb 0.13 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1ffu h VAL 792 CO -0.03 0.36 -0.14 -0.25 0.02 0.00 0.00 177.57 177.54 1ffu h TRP 793 N 0.25 1.15 -0.55 1.57 7.01 -0.18 -1.37 115.95 123.82 1ffu h TRP 793 Ca 0.04 -0.25 0.05 0.00 2.11 0.00 0.00 58.89 60.84 1ffu h TRP 793 Cb 0.61 -0.28 -0.03 0.00 -2.10 0.00 0.00 29.16 27.36 1ffu h TRP 793 CO 0.01 1.07 0.36 0.87 -2.79 0.00 0.00 178.44 177.96 1ffu h LYS 794 N 0.90 0.52 -0.10 2.65 1.79 -0.98 0.89 116.57 122.24 1ffu h LYS 794 Ca 0.13 -0.03 -0.23 0.00 -2.18 0.00 0.00 60.65 58.34 1ffu h LYS 794 Cb 0.71 -0.12 0.01 0.00 -1.58 0.00 0.00 32.23 31.25 1ffu h LYS 794 CO 0.05 0.34 -0.83 0.77 -1.08 0.00 0.00 179.45 178.71 1ffu h SER 795 N 0.53 0.90 -0.79 0.86 0.02 -1.12 -1.33 113.55 112.62 1ffu h SER 795 Ca 0.23 -0.66 -0.02 0.00 -0.84 0.00 0.00 61.79 60.49 1ffu h SER 795 Cb 0.24 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 1ffu h SER 795 CO -0.06 1.43 0.40 -0.07 -1.14 0.00 0.00 176.83 177.39 1ffu h LEU 796 N 0.45 1.03 -0.15 5.07 3.38 -0.33 -0.91 115.31 123.85 1ffu h LEU 796 Ca -0.07 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1ffu h LEU 796 Cb 1.47 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1ffu h LEU 796 CO 0.17 0.85 0.02 0.50 0.09 0.00 0.00 178.44 180.07 1ffu h LYS 797 N 1.14 0.26 -0.13 1.13 3.64 -0.82 0.52 116.57 122.30 1ffu h LYS 797 Ca 0.28 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.53 1ffu h LYS 797 Cb 0.09 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1ffu h LYS 797 CO -0.04 0.45 -0.18 1.49 -2.27 0.00 0.00 179.45 178.90 1ffu h GLU 798 N 0.03 0.22 -0.46 1.90 4.81 -0.92 -2.83 114.58 117.32 1ffu h GLU 798 Ca 0.05 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1ffu h GLU 798 Cb 0.32 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1ffu h GLU 798 CO 0.00 0.40 0.00 0.72 -0.73 0.00 0.00 179.01 179.41 1ffu n HIS 799 N -4.23 1.67 -4.04 0.92 8.25 -0.37 -4.96 115.22 112.46 1ffu n HIS 799 Ca -0.01 -0.78 -0.29 0.00 -0.26 0.00 0.00 57.72 56.38 1ffu n HIS 799 Cb 0.30 -0.44 -0.02 0.00 1.12 0.00 0.00 29.99 30.95 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 0.23 -1.56 -0.15 0.41 4.13 -0.73 -4.86 115.26 112.72 1ffu n ASN 800 Ca 0.26 -0.99 0.02 0.00 1.68 0.00 0.00 54.58 55.55 1ffu n ASN 800 Cb 1.09 -3.01 0.01 0.00 -1.54 0.00 0.00 39.78 36.32 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 -4.42 1.13 -4.69 3.41 4.77 0.18 -5.03 117.00 112.35 1ffu n LEU 801 Ca -0.17 -0.88 -0.42 0.00 -0.03 0.00 0.00 56.01 54.51 1ffu n LEU 801 Cb 0.61 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.67 1ffu n LEU 801 CO 0.79 0.24 1.41 0.00 -1.33 0.00 0.00 177.39 178.50 1ffu s ALA 802 N -0.66 3.75 0.00 -1.18 0.00 -0.94 -4.80 121.76 117.93 1ffu s ALA 802 Ca 0.05 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1ffu s ALA 802 Cb 0.04 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1ffu s ALA 802 CO 0.09 -1.15 0.00 1.47 0.00 0.00 0.00 175.76 176.17