#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dfi n PHE 3 N 0.00 0.00 0.54 1.61 1.16 -1.11 -1.67 117.46 117.99 1dfi n PHE 3 Ca 0.00 0.00 0.07 0.00 -1.87 0.00 0.00 57.45 55.65 1dfi n PHE 3 Cb 0.00 -0.24 0.06 0.00 -1.61 0.00 0.00 39.48 37.70 1dfi n PHE 3 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1dfi n LEU 4 N -1.24 2.20 -4.66 5.98 4.77 0.08 -4.57 117.00 119.57 1dfi n LEU 4 Ca 0.08 -1.04 -0.47 0.00 -0.03 0.00 0.00 56.01 54.55 1dfi n LEU 4 Cb 0.11 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 1dfi n LEU 4 CO 0.11 0.41 1.14 -1.20 -1.33 0.00 0.00 177.39 176.52 1dfi n SER 5 N 0.78 2.84 0.00 -1.43 7.64 -0.67 -1.60 113.62 121.18 1dfi n SER 5 Ca 0.08 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1dfi n SER 5 Cb 0.35 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 1dfi n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dfi n GLY 6 N 3.24 0.36 3.76 0.23 0.00 -1.25 -4.98 105.19 106.55 1dfi n GLY 6 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1dfi n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dfi s LYS 7 N -0.98 2.80 -0.27 1.61 -0.14 -0.63 -5.01 119.74 117.12 1dfi s LYS 7 Ca 0.00 -0.84 0.03 0.00 -1.36 0.00 0.00 55.97 53.80 1dfi s LYS 7 Cb 0.00 -2.63 0.07 0.00 -1.68 0.00 0.00 37.83 33.59 1dfi s LYS 7 CO 0.00 0.51 -0.07 1.03 -0.76 0.00 0.00 175.35 176.06 1dfi s ARG 8 N -2.80 2.03 -0.09 1.68 0.52 -1.26 -0.51 118.95 118.53 1dfi s ARG 8 Ca 0.29 -1.42 0.04 0.00 -0.52 0.00 0.00 55.73 54.12 1dfi s ARG 8 Cb -0.11 -2.92 -0.01 0.00 0.52 0.00 0.00 34.95 32.43 1dfi s ARG 8 CO 0.22 -0.65 -0.21 0.42 0.02 0.00 0.00 175.30 175.10 1dfi s ILE 9 N 1.09 2.42 -0.08 1.52 -1.09 -0.29 -1.13 121.20 123.63 1dfi s ILE 9 Ca -0.05 -0.92 -0.21 0.00 -2.23 0.00 0.00 60.65 57.24 1dfi s ILE 9 Cb -0.20 -1.93 -0.04 0.00 -1.58 0.00 0.00 42.46 38.71 1dfi s ILE 9 CO -0.06 0.56 0.62 -0.22 -1.23 0.00 0.00 174.94 174.61 1dfi s LEU 10 N 0.03 4.31 -0.14 2.97 2.96 -0.67 -2.31 118.68 125.82 1dfi s LEU 10 Ca -0.08 1.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.89 1dfi s LEU 10 Cb -0.15 -2.94 -0.00 0.00 0.50 0.00 0.00 46.19 43.60 1dfi s LEU 10 CO 0.05 -0.07 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.16 1dfi s VAL 11 N 0.70 2.60 0.20 1.68 1.01 -0.47 -0.85 120.40 125.27 1dfi s VAL 11 Ca 0.33 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.59 1dfi s VAL 11 Cb -0.17 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1dfi s VAL 11 CO 0.15 0.52 0.00 0.42 0.00 0.00 0.00 175.10 176.20 1dfi s THR 12 N 0.71 3.67 -0.96 3.92 -4.23 -1.04 -2.31 115.64 115.40 1dfi s THR 12 Ca -0.07 -1.53 -0.04 0.00 -1.18 0.00 0.00 61.69 58.86 1dfi s THR 12 Cb -0.16 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.81 1dfi s THR 12 CO 0.01 -0.18 0.83 0.61 -0.54 0.00 0.00 174.62 175.36 1dfi n GLY 13 N -0.32 -0.15 3.60 3.99 0.00 -1.26 -3.79 105.19 107.25 1dfi n GLY 13 Ca -0.09 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1dfi n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dfi s VAL 14 N -3.25 4.80 0.00 1.61 1.01 -1.26 -4.60 120.40 118.71 1dfi s VAL 14 Ca 0.28 1.01 0.00 0.00 0.00 0.00 0.00 61.98 63.27 1dfi s VAL 14 Cb -0.12 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.11 1dfi s VAL 14 CO 0.54 -0.30 0.00 0.00 0.00 0.00 0.00 175.10 175.34 1dfi n ALA 15 N 6.22 1.91 -3.67 5.51 0.00 -1.26 -4.83 120.51 124.39 1dfi n ALA 15 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.37 1dfi n ALA 15 Cb 0.48 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.95 1dfi n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1dfi s SER 16 N -1.49 0.16 0.05 0.00 0.15 -1.26 -4.92 113.70 106.39 1dfi s SER 16 Ca 0.00 -1.21 0.25 0.00 0.70 0.00 0.00 55.95 55.69 1dfi s SER 16 Cb 0.00 0.83 0.58 0.00 -1.71 0.00 0.00 66.02 65.72 1dfi s SER 16 CO 0.00 -1.64 1.48 1.17 1.20 0.00 0.00 173.24 175.45 1dfi n LYS 17 N -0.54 0.12 0.09 5.44 4.81 -1.26 -3.18 118.16 123.64 1dfi n LYS 17 Ca -0.07 0.04 0.12 0.00 -0.87 0.00 0.00 58.31 57.53 1dfi n LYS 17 Cb 0.60 -1.58 0.03 0.00 0.02 0.00 0.00 35.03 34.10 1dfi n LYS 17 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1dfi h LEU 18 N 0.00 0.00 -9.66 3.14 3.38 -1.99 -3.44 115.31 106.74 1dfi h LEU 18 Ca 0.00 -0.06 -0.58 0.00 0.09 0.00 0.00 57.88 57.33 1dfi h LEU 18 Cb 0.60 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.49 1dfi h LEU 18 CO 0.00 0.03 0.06 -1.20 0.09 0.00 0.00 178.44 177.42 1dfi n SER 19 N -2.55 0.76 -0.03 -0.43 7.64 -1.19 -4.77 113.62 113.05 1dfi n SER 19 Ca 0.01 0.93 -0.09 0.00 1.01 0.00 0.00 58.87 60.73 1dfi n SER 19 Cb 0.53 -1.33 0.07 0.00 -1.01 0.00 0.00 64.21 62.47 1dfi n SER 19 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1dfi h ILE 20 N 1.08 1.29 -0.29 0.44 2.04 -1.90 -1.78 117.51 118.39 1dfi h ILE 20 Ca -0.45 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 63.83 1dfi h ILE 20 Cb 1.35 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 1dfi h ILE 20 CO 0.54 0.50 0.19 0.00 0.00 0.00 0.00 178.15 179.38 1dfi h ALA 21 N 1.02 1.78 -0.17 1.87 0.00 -1.89 0.30 119.26 122.17 1dfi h ALA 21 Ca 0.04 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1dfi h ALA 21 Cb 0.93 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1dfi h ALA 21 CO 0.08 0.20 -0.12 -0.92 0.00 0.00 0.00 179.25 178.49 1dfi h TYR 22 N 0.40 0.45 -0.73 0.00 3.20 -1.55 -2.32 116.97 116.42 1dfi h TYR 22 Ca 0.11 -0.12 0.04 0.00 3.14 0.00 0.00 58.73 61.89 1dfi h TYR 22 Cb -0.04 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.09 1dfi h TYR 22 CO 0.00 0.73 0.48 0.78 -1.64 0.00 0.00 178.16 178.51 1dfi h GLY 23 N 0.05 1.01 0.63 1.82 0.00 -0.79 -1.25 103.07 104.54 1dfi h GLY 23 Ca 0.03 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 1dfi h GLY 23 CO 0.03 0.29 -0.04 -2.22 0.00 0.00 0.00 176.54 174.60 1dfi h ILE 24 N 0.87 1.13 -0.27 2.60 2.04 -0.87 -2.33 117.51 120.68 1dfi h ILE 24 Ca 0.30 -0.82 0.05 0.00 1.00 0.00 0.00 64.86 65.39 1dfi h ILE 24 Cb 0.09 1.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 1dfi h ILE 24 CO -0.09 0.20 -0.01 0.00 0.00 0.00 0.00 178.15 178.25 1dfi h ALA 25 N 0.38 0.23 -0.20 1.87 0.00 -1.19 0.23 119.26 120.58 1dfi h ALA 25 Ca -0.01 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1dfi h ALA 25 Cb 0.41 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1dfi h ALA 25 CO 0.02 -0.42 -0.17 0.37 0.00 0.00 0.00 179.25 179.05 1dfi h GLN 26 N 0.07 -0.17 -0.74 0.00 4.15 -1.26 0.97 115.11 118.13 1dfi h GLN 26 Ca 0.13 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.52 1dfi h GLN 26 Cb 0.17 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 1dfi h GLN 26 CO -0.23 -0.11 0.29 0.00 -1.93 0.00 0.00 178.83 176.85 1dfi h ALA 27 N 0.93 0.97 -0.57 3.38 0.00 -0.81 0.63 119.26 123.78 1dfi h ALA 27 Ca 0.12 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1dfi h ALA 27 Cb 0.36 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1dfi h ALA 27 CO -0.31 0.59 -0.02 0.52 0.00 0.00 0.00 179.25 180.03 1dfi h MET 28 N 1.07 1.03 0.31 0.00 2.86 0.31 -1.59 114.93 118.92 1dfi h MET 28 Ca 0.25 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1dfi h MET 28 Cb 0.22 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1dfi h MET 28 CO -0.02 1.03 -0.20 1.25 1.06 0.00 0.00 176.91 180.03 1dfi h HIS 29 N 0.92 -0.52 -1.07 -0.22 6.17 0.16 -0.66 115.15 119.93 1dfi h HIS 29 Ca 0.16 -0.00 0.29 0.00 0.71 0.00 0.00 60.37 61.53 1dfi h HIS 29 Cb 0.58 0.19 -0.07 0.00 2.52 0.00 0.00 27.41 30.62 1dfi h HIS 29 CO 0.04 -0.31 0.72 -0.09 0.71 0.00 0.00 177.93 179.01 1dfi h ARG 30 N -0.49 0.23 -0.13 5.26 2.43 -0.61 0.29 114.38 121.34 1dfi h ARG 30 Ca -0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1dfi h ARG 30 Cb 0.41 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1dfi h ARG 30 CO 0.03 0.15 0.00 0.39 -1.51 0.00 0.00 179.97 179.03 1dfi n GLU 31 N -4.46 1.62 -0.31 0.20 -0.58 -0.62 -4.67 120.64 111.81 1dfi n GLU 31 Ca 0.25 -0.93 0.00 0.00 -0.42 0.00 0.00 57.16 56.06 1dfi n GLU 31 Cb 1.00 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 30.49 1dfi n GLU 31 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1dfi n GLY 32 N 1.08 1.04 3.89 0.62 0.00 0.10 -0.74 105.19 111.18 1dfi n GLY 32 Ca 0.16 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 1dfi n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dfi s ALA 33 N -2.00 3.34 -0.20 4.61 0.00 -0.33 -3.58 121.76 123.60 1dfi s ALA 33 Ca 0.00 -0.29 -0.15 0.00 0.00 0.00 0.00 51.96 51.51 1dfi s ALA 33 Cb 0.00 -2.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 1dfi s ALA 33 CO 0.00 -0.21 0.38 -1.21 0.00 0.00 0.00 175.76 174.72 1dfi s GLU 34 N -4.32 4.17 0.04 0.00 2.02 0.34 -4.54 118.70 116.42 1dfi s GLU 34 Ca 0.50 0.17 0.04 0.00 0.02 0.00 0.00 54.97 55.70 1dfi s GLU 34 Cb -0.10 -3.53 -0.04 0.00 0.10 0.00 0.00 34.13 30.56 1dfi s GLU 34 CO 0.39 -0.02 -0.02 -0.51 0.02 0.00 0.00 175.26 175.12 1dfi s LEU 35 N 1.25 3.38 0.16 1.80 1.43 -1.26 -1.13 118.68 124.31 1dfi s LEU 35 Ca 0.18 -0.13 0.07 0.00 -1.03 0.00 0.00 54.13 53.22 1dfi s LEU 35 Cb -0.15 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 1dfi s LEU 35 CO 0.08 0.23 -0.15 0.00 0.23 0.00 0.00 176.35 176.74 1dfi s ALA 36 N -1.17 1.78 0.10 4.21 0.00 -0.98 -4.61 121.76 121.11 1dfi s ALA 36 Ca 0.22 -1.48 0.03 0.00 0.00 0.00 0.00 51.96 50.73 1dfi s ALA 36 Cb -0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 1dfi s ALA 36 CO 0.13 0.10 -0.09 -0.06 0.00 0.00 0.00 175.76 175.85 1dfi s PHE 37 N -2.50 1.00 0.19 0.00 0.08 0.56 -1.37 117.98 115.95 1dfi s PHE 37 Ca 0.16 -0.76 0.05 0.00 0.12 0.00 0.00 56.93 56.50 1dfi s PHE 37 Cb -0.03 -0.55 -0.05 0.00 -0.57 0.00 0.00 43.02 41.82 1dfi s PHE 37 CO 0.05 -0.05 -0.08 0.95 -0.10 0.00 0.00 175.22 175.99 1dfi s THR 38 N -2.96 1.26 -0.03 0.64 -4.23 -0.98 -1.57 115.64 107.77 1dfi s THR 38 Ca 0.09 -2.08 -0.10 0.00 -1.18 0.00 0.00 61.69 58.41 1dfi s THR 38 Cb 0.01 -2.07 0.02 0.00 1.34 0.00 0.00 72.50 71.79 1dfi s THR 38 CO -0.02 -0.57 0.23 -0.72 -0.54 0.00 0.00 174.62 173.01 1dfi s TYR 39 N -3.27 -0.13 -0.03 3.99 1.13 0.51 -4.53 117.35 115.03 1dfi s TYR 39 Ca 0.22 0.26 -0.18 0.00 -1.41 0.00 0.00 57.07 55.96 1dfi s TYR 39 Cb 0.03 0.05 -0.10 0.00 -1.10 0.00 0.00 41.96 40.84 1dfi s TYR 39 CO 0.05 -0.27 0.74 0.37 -2.51 0.00 0.00 175.55 173.92 1dfi h GLN 40 N 4.60 -0.59 -4.75 -3.49 4.15 -1.89 0.46 115.11 113.60 1dfi h GLN 40 Ca -0.29 0.04 -0.31 0.00 0.77 0.00 0.00 58.65 58.86 1dfi h GLN 40 Cb 1.19 0.13 -0.15 0.00 0.21 0.00 0.00 27.48 28.87 1dfi h GLN 40 CO 0.38 -0.38 -0.61 0.54 -1.93 0.00 0.00 178.83 176.83 1dfi s ASN 41 N -4.85 0.76 0.21 -0.69 2.20 -1.26 -4.29 114.94 107.02 1dfi s ASN 41 Ca -0.09 -1.41 -0.09 0.00 -0.94 0.00 0.00 52.86 50.32 1dfi s ASN 41 Cb 0.01 0.29 0.31 0.00 -2.00 0.00 0.00 41.25 39.86 1dfi s ASN 41 CO 0.29 -0.80 1.25 0.47 -2.94 0.00 0.00 177.10 175.37 1dfi n ASP 42 N -0.44 -0.38 -0.24 3.54 8.00 -1.26 -0.69 116.55 125.08 1dfi n ASP 42 Ca 0.01 1.39 0.12 0.00 0.71 0.00 0.00 54.79 57.02 1dfi n ASP 42 Cb 0.66 -0.38 0.39 0.00 -0.02 0.00 0.00 41.12 41.77 1dfi n ASP 42 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1dfi h LYS 43 N 0.00 0.64 -0.15 -1.24 1.57 -2.02 -2.77 116.57 112.60 1dfi h LYS 43 Ca 0.35 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.95 1dfi h LYS 43 Cb 0.55 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1dfi h LYS 43 CO -0.82 0.42 -0.43 -0.07 -0.57 0.00 0.00 179.45 177.98 1dfi h LEU 44 N 0.66 0.64 -0.27 2.94 -0.00 -1.33 -3.35 115.31 114.60 1dfi h LEU 44 Ca 0.41 -0.59 0.06 0.00 -0.00 0.00 0.00 57.88 57.76 1dfi h LEU 44 Cb 0.66 -0.19 -0.05 0.00 -0.00 0.00 0.00 40.66 41.08 1dfi h LEU 44 CO -0.17 1.12 -0.04 1.17 -0.00 0.00 0.00 178.44 180.52 1dfi n LYS 45 N -4.26 -0.02 0.51 1.13 4.81 -1.05 0.96 118.16 120.24 1dfi n LYS 45 Ca -0.07 0.41 -0.21 0.00 -0.87 0.00 0.00 58.31 57.58 1dfi n LYS 45 Cb 0.56 -0.63 -0.10 0.00 0.02 0.00 0.00 35.03 34.88 1dfi n LYS 45 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1dfi h GLY 46 N 0.00 -1.40 0.24 3.14 0.00 -1.75 0.12 103.07 103.41 1dfi h GLY 46 Ca 0.14 0.54 0.02 0.00 0.00 0.00 0.00 47.33 48.03 1dfi h GLY 46 CO -0.27 -0.50 -0.44 -0.09 0.00 0.00 0.00 176.54 175.24 1dfi h ARG 47 N -1.32 -0.65 -0.36 4.80 2.43 0.37 -2.69 114.38 116.96 1dfi h ARG 47 Ca -0.13 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.16 1dfi h ARG 47 Cb 1.02 0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 30.64 1dfi h ARG 47 CO 0.19 -0.43 -0.23 0.28 -1.51 0.00 0.00 179.97 178.27 1dfi h VAL 48 N -0.67 0.38 -0.62 0.20 2.07 -1.22 0.47 116.25 116.86 1dfi h VAL 48 Ca 0.02 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.68 1dfi h VAL 48 Cb 0.70 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1dfi h VAL 48 CO -0.26 0.00 0.43 -0.33 0.02 0.00 0.00 177.57 177.43 1dfi h GLU 49 N -0.18 0.20 -0.18 1.57 5.08 -0.57 -0.66 114.58 119.84 1dfi h GLU 49 Ca 0.18 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.43 1dfi h GLU 49 Cb 0.46 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1dfi h GLU 49 CO -0.47 0.13 -0.27 1.49 -1.00 0.00 0.00 179.01 178.89 1dfi h GLU 50 N 0.20 0.50 -0.35 2.33 4.81 -0.59 -2.57 114.58 118.91 1dfi h GLU 50 Ca 0.30 -0.30 -0.15 0.00 -0.13 0.00 0.00 59.36 59.07 1dfi h GLU 50 Cb 0.89 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.30 1dfi h GLU 50 CO -0.05 0.90 -0.38 0.74 -0.73 0.00 0.00 179.01 179.48 1dfi h PHE 51 N 0.15 1.07 -0.01 0.92 0.04 -0.74 -1.87 116.94 116.50 1dfi h PHE 51 Ca 0.02 -0.33 0.02 0.00 2.80 0.00 0.00 57.97 60.48 1dfi h PHE 51 Cb 0.85 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.75 1dfi h PHE 51 CO 0.09 1.14 -0.11 0.00 -0.60 0.00 0.00 178.31 178.83 1dfi h ALA 52 N 0.75 -0.11 -0.51 2.45 0.00 -1.20 -1.13 119.26 119.50 1dfi h ALA 52 Ca 0.05 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1dfi h ALA 52 Cb 0.98 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 1dfi h ALA 52 CO 0.09 -0.60 -0.02 0.00 0.00 0.00 0.00 179.25 178.72 1dfi h ALA 53 N 0.80 0.46 -0.23 0.00 0.00 -1.35 0.84 119.26 119.77 1dfi h ALA 53 Ca 0.05 0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1dfi h ALA 53 Cb 0.24 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1dfi h ALA 53 CO -0.12 -0.40 0.42 0.37 0.00 0.00 0.00 179.25 179.52 1dfi h GLN 54 N 0.09 0.00 0.00 0.00 4.15 -0.59 -0.35 115.11 118.41 1dfi h GLN 54 Ca 0.26 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.67 1dfi h GLN 54 Cb 0.39 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.08 1dfi h GLN 54 CO -0.44 0.00 -0.24 1.28 -1.93 0.00 0.00 178.83 177.50 1dfi n LEU 55 N -3.32 2.49 -3.28 -2.39 4.77 0.28 -4.98 117.00 110.56 1dfi n LEU 55 Ca 0.03 -3.44 -0.20 0.00 -0.03 0.00 0.00 56.01 52.37 1dfi n LEU 55 Cb 0.53 -0.47 0.07 0.00 -2.33 0.00 0.00 43.42 41.23 1dfi n LEU 55 CO 0.21 1.02 0.19 0.61 -1.33 0.00 0.00 177.39 178.09 1dfi n GLY 56 N -1.27 -0.38 3.11 -0.72 0.00 -0.14 -4.84 105.19 100.95 1dfi n GLY 56 Ca 0.17 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 46.11 1dfi n GLY 56 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dfi s SER 57 N -3.54 1.67 0.00 1.61 0.15 -0.31 -4.86 113.70 108.43 1dfi s SER 57 Ca 0.39 -0.27 0.12 0.00 0.70 0.00 0.00 55.95 56.90 1dfi s SER 57 Cb -0.17 -0.18 0.31 0.00 -1.71 0.00 0.00 66.02 64.27 1dfi s SER 57 CO 0.66 0.17 1.24 -0.67 1.20 0.00 0.00 173.24 175.83 1dfi n ASP 58 N 2.68 2.92 -4.30 5.45 2.03 -1.26 -3.47 116.55 120.60 1dfi n ASP 58 Ca -0.14 -1.93 -0.44 0.00 0.52 0.00 0.00 54.79 52.80 1dfi n ASP 58 Cb 0.55 -0.23 -0.07 0.00 -0.72 0.00 0.00 41.12 40.65 1dfi n ASP 58 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1dfi s ILE 59 N -1.01 4.85 -0.24 5.18 1.01 -1.26 -5.00 121.20 124.74 1dfi s ILE 59 Ca 0.25 -1.47 -0.01 0.00 0.00 0.00 0.00 60.65 59.41 1dfi s ILE 59 Cb 0.13 -4.07 0.07 0.00 0.01 0.00 0.00 42.46 38.60 1dfi s ILE 59 CO 0.18 -0.75 0.03 -0.69 0.00 0.00 0.00 174.94 173.71 1dfi s VAL 60 N 1.53 0.92 0.08 2.92 1.01 -1.26 -0.32 120.40 125.27 1dfi s VAL 60 Ca 0.04 -0.98 0.09 0.00 0.00 0.00 0.00 61.98 61.13 1dfi s VAL 60 Cb -0.27 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1dfi s VAL 60 CO 0.03 -0.30 -0.22 -0.76 0.00 0.00 0.00 175.10 173.85 1dfi s LEU 61 N 1.66 2.48 0.17 3.92 1.02 -0.61 -5.00 118.68 122.32 1dfi s LEU 61 Ca 0.00 -0.57 -0.18 0.00 0.02 0.00 0.00 54.13 53.41 1dfi s LEU 61 Cb -0.18 -1.41 -0.08 0.00 0.02 0.00 0.00 46.19 44.54 1dfi s LEU 61 CO -0.12 0.22 0.65 -1.58 0.02 0.00 0.00 176.35 175.54 1dfi s GLN 62 N -1.72 4.18 -0.29 1.70 -0.44 -1.26 -0.36 119.66 121.46 1dfi s GLN 62 Ca 0.15 0.75 -0.09 0.00 -2.50 0.00 0.00 55.36 53.66 1dfi s GLN 62 Cb -0.10 -2.97 0.13 0.00 -1.64 0.00 0.00 33.01 28.43 1dfi s GLN 62 CO 0.06 0.47 0.63 0.00 0.50 0.00 0.00 175.29 176.95 1dfi s ASP 64 N 2.87 5.52 0.32 0.00 -1.08 -1.26 -3.98 116.67 119.06 1dfi s ASP 64 Ca -0.03 -1.43 0.25 0.00 -0.52 0.00 0.00 52.55 50.82 1dfi s ASP 64 Cb -0.12 -1.94 1.12 0.00 -1.46 0.00 0.00 42.92 40.52 1dfi s ASP 64 CO -0.19 -0.47 1.76 -0.37 0.52 0.00 0.00 175.17 176.42 1dfi h VAL 65 N 6.12 0.00 -0.01 1.11 -1.51 -1.96 -2.19 116.25 117.82 1dfi h VAL 65 Ca -0.22 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.05 1dfi h VAL 65 Cb 1.08 0.92 -0.00 0.00 -2.13 0.00 0.00 31.29 31.16 1dfi h VAL 65 CO 0.71 0.00 0.02 0.00 -1.23 0.00 0.00 177.57 177.07 1dfi h ALA 66 N 2.17 1.17 -3.15 5.19 0.00 -1.94 -3.41 119.26 119.28 1dfi h ALA 66 Ca 0.00 -0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 1dfi h ALA 66 Cb 0.29 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 17.75 1dfi h ALA 66 CO 0.00 -0.02 -0.85 -1.21 0.00 0.00 0.00 179.25 177.17 1dfi s GLU 67 N -4.28 3.07 0.48 0.00 2.02 -0.82 -4.98 118.70 114.19 1dfi s GLU 67 Ca -0.05 -0.81 0.15 0.00 0.02 0.00 0.00 54.97 54.28 1dfi s GLU 67 Cb 0.13 -2.54 1.16 0.00 0.10 0.00 0.00 34.13 32.99 1dfi s GLU 67 CO 0.44 -0.06 2.07 -0.44 0.02 0.00 0.00 175.26 177.29 1dfi h ASP 68 N 7.51 0.17 0.17 -0.19 3.32 -1.85 -2.47 116.42 123.08 1dfi h ASP 68 Ca -0.36 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.68 1dfi h ASP 68 Cb 1.18 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1dfi h ASP 68 CO 0.58 0.11 -0.08 0.00 -1.72 0.00 0.00 179.24 178.13 1dfi h ALA 69 N 1.84 -0.23 -0.84 3.45 0.00 -1.93 -1.76 119.26 119.80 1dfi h ALA 69 Ca 0.13 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1dfi h ALA 69 Cb 0.26 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1dfi h ALA 69 CO -0.02 -0.62 0.54 1.03 0.00 0.00 0.00 179.25 180.18 1dfi h SER 70 N -0.24 0.97 0.05 0.00 0.87 -1.70 -1.46 113.55 112.03 1dfi h SER 70 Ca -0.02 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1dfi h SER 70 Cb 0.18 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1dfi h SER 70 CO 0.04 0.71 -0.02 0.40 -0.53 0.00 0.00 176.83 177.43 1dfi h ILE 71 N 1.14 1.18 -0.65 2.23 2.04 -1.35 -0.09 117.51 122.01 1dfi h ILE 71 Ca 0.31 -0.76 0.09 0.00 1.00 0.00 0.00 64.86 65.49 1dfi h ILE 71 Cb -0.11 1.69 -0.07 0.00 -0.74 0.00 0.00 36.82 37.59 1dfi h ILE 71 CO -0.06 0.19 0.30 0.44 0.00 0.00 0.00 178.15 179.02 1dfi h ASP 72 N -0.40 0.37 0.25 1.72 3.32 -0.99 -1.74 116.42 118.96 1dfi h ASP 72 Ca -0.01 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1dfi h ASP 72 Cb 0.36 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1dfi h ASP 72 CO 0.01 0.22 -0.12 0.74 -1.72 0.00 0.00 179.24 178.37 1dfi h THR 73 N 0.52 0.79 -0.76 0.35 2.02 -1.22 -0.78 112.91 113.84 1dfi h THR 73 Ca 0.32 -0.30 0.17 0.00 0.77 0.00 0.00 66.41 67.36 1dfi h THR 73 Cb 0.35 0.97 -0.11 0.00 -1.74 0.00 0.00 68.15 67.61 1dfi h THR 73 CO -0.27 0.07 0.21 -0.03 0.37 0.00 0.00 175.52 175.86 1dfi h MET 74 N -0.50 0.28 0.00 6.66 1.85 -0.65 0.28 114.93 122.86 1dfi h MET 74 Ca -0.03 -0.02 -0.09 0.00 -0.61 0.00 0.00 59.70 58.95 1dfi h MET 74 Cb 0.37 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.32 1dfi h MET 74 CO 0.06 0.19 -0.43 0.74 -0.40 0.00 0.00 176.91 177.07 1dfi h PHE 75 N 0.29 0.00 -0.02 1.39 0.04 -1.15 -0.92 116.94 116.57 1dfi h PHE 75 Ca 0.43 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.20 1dfi h PHE 75 Cb 0.75 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.90 1dfi h PHE 75 CO -0.25 0.43 0.00 0.00 -0.60 0.00 0.00 178.31 177.89 1dfi h ALA 76 N 1.57 0.02 -0.91 2.45 0.00 0.95 -1.19 119.26 122.15 1dfi h ALA 76 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1dfi h ALA 76 Cb 1.00 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1dfi h ALA 76 CO 0.06 -0.34 0.52 0.93 0.00 0.00 0.00 179.25 180.42 1dfi h GLU 77 N -0.25 1.25 -0.25 0.00 5.08 -0.72 -2.64 114.58 117.05 1dfi h GLU 77 Ca 0.00 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 1dfi h GLU 77 Cb 0.28 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1dfi h GLU 77 CO 0.00 0.90 -0.28 1.25 -1.00 0.00 0.00 179.01 179.88 1dfi h LEU 78 N 1.27 0.51 0.00 1.33 5.85 -0.96 -2.09 115.31 121.22 1dfi h LEU 78 Ca 0.32 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1dfi h LEU 78 Cb -0.01 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.88 1dfi h LEU 78 CO -0.06 0.78 0.00 0.61 -0.34 0.00 0.00 178.44 179.43 1dfi n GLY 79 N -0.30 -0.74 0.07 3.75 0.00 -0.47 0.10 105.19 107.60 1dfi n GLY 79 Ca -0.01 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 1dfi n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dfi h LYS 80 N 0.00 -0.03 0.14 1.61 1.57 -1.37 -3.08 116.57 115.41 1dfi h LYS 80 Ca 0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 1dfi h LYS 80 Cb 0.13 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.45 1dfi h LYS 80 CO 0.00 0.49 -1.22 -0.39 -0.57 0.00 0.00 179.45 177.77 1dfi h VAL 81 N -0.58 1.22 -3.39 0.50 -1.51 -1.54 -3.42 116.25 107.52 1dfi h VAL 81 Ca -0.00 -2.48 -0.64 0.00 -1.23 0.00 0.00 66.70 62.35 1dfi h VAL 81 Cb 0.54 2.92 -0.41 0.00 -2.13 0.00 0.00 31.29 32.21 1dfi h VAL 81 CO 0.01 0.72 -0.67 0.26 -1.23 0.00 0.00 177.57 176.66 1dfi s TRP 82 N -2.47 3.11 0.28 5.19 0.51 0.29 -4.93 118.94 120.92 1dfi s TRP 82 Ca -0.17 -3.00 0.25 0.00 -2.12 0.00 0.00 56.10 51.06 1dfi s TRP 82 Cb 0.03 -2.69 1.14 0.00 -0.81 0.00 0.00 33.47 31.14 1dfi s TRP 82 CO 0.81 -0.80 1.93 -1.00 -0.51 0.00 0.00 176.95 177.38 1dfi h PRO 83 N 6.83 0.00 -4.03 4.98 0.13 -1.72 -3.25 132.00 134.93 1dfi h PRO 83 Ca -0.06 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.88 1dfi h PRO 83 Cb 0.93 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.85 1dfi h PRO 83 CO 0.62 0.20 -0.70 0.15 -0.23 0.00 0.00 178.00 178.03 1dfi s LYS 84 N -3.93 0.32 0.30 0.86 -0.14 -1.26 -4.71 119.74 111.19 1dfi s LYS 84 Ca -0.01 -0.61 -0.14 0.00 -1.36 0.00 0.00 55.97 53.84 1dfi s LYS 84 Cb 0.12 0.07 0.02 0.00 -1.68 0.00 0.00 37.83 36.35 1dfi s LYS 84 CO 0.62 -0.04 0.61 -0.59 -0.76 0.00 0.00 175.35 175.19 1dfi s PHE 85 N -1.42 0.25 -0.42 3.18 -0.71 -0.04 -4.99 117.98 113.83 1dfi s PHE 85 Ca -0.15 -0.68 0.16 0.00 -1.04 0.00 0.00 56.93 55.21 1dfi s PHE 85 Cb -0.10 0.44 0.64 0.00 -1.21 0.00 0.00 43.02 42.79 1dfi s PHE 85 CO -0.01 -1.20 1.55 -0.25 -1.34 0.00 0.00 175.22 173.97 1dfi n ASP 86 N -0.75 4.56 0.00 1.98 8.00 -0.29 -1.19 116.55 128.86 1dfi n ASP 86 Ca -0.03 -2.81 0.00 0.00 0.71 0.00 0.00 54.79 52.65 1dfi n ASP 86 Cb 0.61 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 1dfi n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dfi n GLY 87 N 0.21 1.22 3.20 0.44 0.00 -1.25 -2.01 105.19 107.00 1dfi n GLY 87 Ca 0.23 -2.16 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 1dfi n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1dfi s PHE 88 N -1.16 0.37 -0.18 1.61 -0.12 -1.17 -1.67 117.98 115.67 1dfi s PHE 88 Ca 0.00 -0.81 -0.03 0.00 -0.05 0.00 0.00 56.93 56.04 1dfi s PHE 88 Cb 0.00 -0.19 -0.01 0.00 -0.63 0.00 0.00 43.02 42.19 1dfi s PHE 88 CO 0.00 -0.54 -0.06 0.08 -0.05 0.00 0.00 175.22 174.65 1dfi s VAL 89 N -3.92 3.44 -0.47 -2.49 1.01 -0.03 -2.26 120.40 115.68 1dfi s VAL 89 Ca 0.10 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 1dfi s VAL 89 Cb 0.06 -2.52 0.10 0.00 0.00 0.00 0.00 36.38 34.01 1dfi s VAL 89 CO -0.07 0.46 0.36 -2.28 0.00 0.00 0.00 175.10 173.57 1dfi s HIS 90 N 0.96 3.32 -0.50 5.22 2.46 0.12 -2.50 115.29 124.37 1dfi s HIS 90 Ca -0.00 -1.41 0.06 0.00 0.47 0.00 0.00 55.06 54.17 1dfi s HIS 90 Cb -0.15 -3.28 0.38 0.00 -0.13 0.00 0.00 32.58 29.41 1dfi s HIS 90 CO 0.00 -0.90 1.02 0.45 -2.47 0.00 0.00 174.74 172.84 1dfi n SER 91 N 5.05 4.35 -4.15 9.88 2.88 -1.25 -3.08 113.62 127.30 1dfi n SER 91 Ca -0.11 -3.64 -0.29 0.00 -1.33 0.00 0.00 58.87 53.49 1dfi n SER 91 Cb 0.42 -0.51 -0.17 0.00 -0.75 0.00 0.00 64.21 63.20 1dfi n SER 91 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1dfi s ILE 92 N -4.86 1.74 -0.21 2.46 1.01 -1.26 -4.33 121.20 115.75 1dfi s ILE 92 Ca 0.47 -0.83 -0.19 0.00 0.00 0.00 0.00 60.65 60.10 1dfi s ILE 92 Cb 0.35 -1.52 0.05 0.00 0.01 0.00 0.00 42.46 41.35 1dfi s ILE 92 CO -0.15 0.49 0.55 -0.83 0.00 0.00 0.00 174.94 175.00 1dfi s GLY 93 N 0.49 -0.41 -0.14 6.18 0.00 -1.26 -4.54 107.32 107.63 1dfi s GLY 93 Ca -0.17 1.56 -0.24 0.00 0.00 0.00 0.00 44.72 45.87 1dfi s GLY 93 CO 0.07 1.34 0.60 -0.12 0.00 0.00 0.00 173.10 174.99 1dfi s PHE 94 N 0.29 -0.61 -0.07 1.90 5.36 -1.26 -4.97 117.98 118.61 1dfi s PHE 94 Ca -0.00 1.32 -0.15 0.00 -0.96 0.00 0.00 56.93 57.14 1dfi s PHE 94 Cb -0.04 0.28 0.03 0.00 -0.34 0.00 0.00 43.02 42.95 1dfi s PHE 94 CO 0.01 -0.43 0.36 0.00 -1.46 0.00 0.00 175.22 173.70 1dfi s ALA 95 N -0.38 -0.90 0.68 11.12 0.00 -1.26 -3.89 121.76 127.12 1dfi s ALA 95 Ca -0.05 0.71 -0.17 0.00 0.00 0.00 0.00 51.96 52.45 1dfi s ALA 95 Cb -0.03 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.85 1dfi s ALA 95 CO 0.04 -0.23 1.25 -2.30 0.00 0.00 0.00 175.76 174.53 1dfi n PRO 96 N 1.98 0.92 0.04 0.00 -0.02 -1.26 -4.89 135.00 131.78 1dfi n PRO 96 Ca -0.18 0.37 -0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1dfi n PRO 96 Cb 0.57 -2.49 0.30 0.00 -0.02 0.00 0.00 33.50 31.86 1dfi n PRO 96 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1dfi h GLY 97 N 0.25 0.44 1.19 -1.23 0.00 -2.01 -2.70 103.07 99.01 1dfi h GLY 97 Ca -0.50 -0.29 0.05 0.00 0.00 0.00 0.00 47.33 46.59 1dfi h GLY 97 CO 0.51 0.27 0.43 1.29 0.00 0.00 0.00 176.54 179.04 1dfi h ASP 98 N 0.38 0.63 -0.25 0.19 2.03 -1.98 -1.81 116.42 115.62 1dfi h ASP 98 Ca 0.08 -0.00 0.01 0.00 -0.73 0.00 0.00 57.03 56.38 1dfi h ASP 98 Cb 0.43 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 38.78 1dfi h ASP 98 CO 0.02 0.42 0.17 1.56 -1.03 0.00 0.00 179.24 180.39 1dfi h GLN 99 N 0.72 0.30 -0.89 4.15 1.08 -1.74 -3.21 115.11 115.53 1dfi h GLN 99 Ca 0.27 -0.02 -0.24 0.00 -1.45 0.00 0.00 58.65 57.21 1dfi h GLN 99 Cb 0.16 -0.07 -0.14 0.00 -0.05 0.00 0.00 27.48 27.38 1dfi h GLN 99 CO -0.08 0.20 0.31 1.28 -0.95 0.00 0.00 178.83 179.59 1dfi n LEU 100 N -4.50 5.28 -3.83 1.46 4.77 -0.68 -4.53 117.00 114.98 1dfi n LEU 100 Ca 0.01 -2.76 -0.22 0.00 -0.03 0.00 0.00 56.01 53.01 1dfi n LEU 100 Cb 0.10 -0.71 -0.17 0.00 -2.33 0.00 0.00 43.42 40.31 1dfi n LEU 100 CO 0.35 0.77 -0.40 -0.62 -1.33 0.00 0.00 177.39 176.16 1dfi s ASP 101 N -0.63 1.39 0.16 -1.43 2.15 -1.21 -4.75 116.67 112.34 1dfi s ASP 101 Ca 0.41 -0.12 0.00 0.00 0.43 0.00 0.00 52.55 53.27 1dfi s ASP 101 Cb 0.33 -0.48 0.00 0.00 -0.30 0.00 0.00 42.92 42.47 1dfi s ASP 101 CO 0.09 -0.13 0.00 0.61 -0.17 0.00 0.00 175.17 175.57 1dfi n GLY 102 N 4.70 -1.25 3.68 2.66 0.00 -1.26 -4.75 105.19 108.97 1dfi n GLY 102 Ca -0.14 -1.26 -0.60 0.00 0.00 0.00 0.00 46.02 44.02 1dfi n GLY 102 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1dfi n ASP 103 N -0.33 2.04 -0.21 1.61 2.03 -1.26 -4.32 116.55 116.11 1dfi n ASP 103 Ca 0.00 1.04 -0.05 0.00 0.52 0.00 0.00 54.79 56.30 1dfi n ASP 103 Cb 0.00 -1.08 0.06 0.00 -0.72 0.00 0.00 41.12 39.38 1dfi n ASP 103 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1dfi h TYR 104 N 7.19 0.71 -0.68 -0.67 3.20 -1.94 -0.81 116.97 123.98 1dfi h TYR 104 Ca -0.43 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.44 1dfi h TYR 104 Cb 1.33 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 39.34 1dfi h TYR 104 CO 0.77 0.41 0.31 0.28 -1.64 0.00 0.00 178.16 178.29 1dfi h VAL 105 N 0.75 1.22 0.00 1.81 2.07 -1.96 -1.51 116.25 118.63 1dfi h VAL 105 Ca 0.24 -0.64 -0.18 0.00 0.82 0.00 0.00 66.70 66.95 1dfi h VAL 105 Cb 0.01 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 1dfi h VAL 105 CO -0.10 0.26 -0.84 0.78 0.02 0.00 0.00 177.57 177.70 1dfi h ASN 106 N 0.96 0.00 0.04 0.57 2.35 -1.87 -3.35 115.58 114.28 1dfi h ASN 106 Ca 0.23 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.79 1dfi h ASN 106 Cb 0.12 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.50 1dfi h ASN 106 CO -0.03 0.84 -0.78 0.00 -1.65 0.00 0.00 177.43 175.81 1dfi h ALA 107 N 1.16 0.04 -2.81 -0.83 0.00 -0.77 -3.47 119.26 112.58 1dfi h ALA 107 Ca -0.01 -0.64 -0.57 0.00 0.00 0.00 0.00 54.91 53.70 1dfi h ALA 107 Cb 1.51 0.06 0.15 0.00 0.00 0.00 0.00 17.79 19.51 1dfi h ALA 107 CO 0.11 0.44 0.31 1.55 0.00 0.00 0.00 179.25 181.65 1dfi n VAL 108 N -4.10 3.45 -4.04 0.00 3.14 -0.60 -4.64 118.33 111.53 1dfi n VAL 108 Ca -0.12 -0.50 -0.08 0.00 -2.96 0.00 0.00 64.34 60.69 1dfi n VAL 108 Cb 0.77 -1.34 -0.10 0.00 -1.06 0.00 0.00 33.84 32.11 1dfi n VAL 108 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1dfi s THR 109 N -1.38 0.19 0.13 1.55 -4.23 -1.26 -5.02 115.64 105.62 1dfi s THR 109 Ca 0.71 -1.60 -0.20 0.00 -1.18 0.00 0.00 61.69 59.43 1dfi s THR 109 Cb -0.45 -1.31 -0.04 0.00 1.34 0.00 0.00 72.50 72.04 1dfi s THR 109 CO 0.50 -0.88 1.72 -0.09 -0.54 0.00 0.00 174.62 175.34 1dfi h ARG 110 N 3.33 0.08 -0.44 3.99 2.43 -1.99 -0.05 114.38 121.73 1dfi h ARG 110 Ca -0.34 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.80 1dfi h ARG 110 Cb 1.16 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 1dfi h ARG 110 CO 0.61 0.05 0.14 1.49 -1.51 0.00 0.00 179.97 180.75 1dfi h GLU 111 N 0.08 0.68 -0.21 0.20 4.57 -1.99 -0.93 114.58 116.97 1dfi h GLU 111 Ca 0.10 -0.14 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1dfi h GLU 111 Cb 0.11 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1dfi h GLU 111 CO -0.15 0.66 0.11 0.78 -1.18 0.00 0.00 179.01 179.22 1dfi h GLY 112 N 0.57 0.30 1.24 1.92 0.00 -1.89 -1.44 103.07 103.77 1dfi h GLY 112 Ca 0.14 -0.12 -0.28 0.00 0.00 0.00 0.00 47.33 47.07 1dfi h GLY 112 CO -0.01 0.12 -1.10 -2.75 0.00 0.00 0.00 176.54 172.80 1dfi h PHE 113 N 0.29 1.02 0.02 5.60 3.04 -0.64 -2.77 116.94 123.50 1dfi h PHE 113 Ca 0.08 -0.58 0.02 0.00 3.98 0.00 0.00 57.97 61.46 1dfi h PHE 113 Cb 0.02 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 38.40 1dfi h PHE 113 CO 0.00 1.42 -0.11 -0.22 -2.02 0.00 0.00 178.31 177.38 1dfi h LYS 114 N 0.35 -0.20 0.34 1.11 3.64 -0.56 -2.20 116.57 119.05 1dfi h LYS 114 Ca -0.15 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 1dfi h LYS 114 Cb 1.76 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.63 1dfi h LYS 114 CO 0.21 -0.13 -0.17 0.82 -2.27 0.00 0.00 179.45 177.91 1dfi h ILE 115 N -0.21 0.66 -0.53 2.00 2.04 -1.34 -0.38 117.51 119.76 1dfi h ILE 115 Ca 0.03 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.99 1dfi h ILE 115 Cb 0.25 0.66 -0.08 0.00 -0.74 0.00 0.00 36.82 36.91 1dfi h ILE 115 CO -0.10 0.00 0.09 0.00 0.00 0.00 0.00 178.15 178.14 1dfi h ALA 116 N 0.21 0.58 -0.41 1.87 0.00 -1.49 0.31 119.26 120.32 1dfi h ALA 116 Ca -0.04 0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1dfi h ALA 116 Cb 0.36 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1dfi h ALA 116 CO 0.07 -0.32 -0.32 0.45 0.00 0.00 0.00 179.25 179.13 1dfi h HIS 117 N 0.22 1.11 0.94 0.00 3.86 -1.31 -0.66 115.15 119.31 1dfi h HIS 117 Ca 0.27 -0.31 -0.05 0.00 -1.16 0.00 0.00 60.37 59.12 1dfi h HIS 117 Cb 0.38 -0.24 0.01 0.00 1.06 0.00 0.00 27.41 28.62 1dfi h HIS 117 CO -0.25 1.14 -0.45 0.22 0.86 0.00 0.00 177.93 179.44 1dfi h ASP 118 N 0.77 -1.07 -0.37 2.45 3.58 -0.53 -0.39 116.42 120.86 1dfi h ASP 118 Ca 0.08 0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.50 1dfi h ASP 118 Cb 0.91 0.28 -0.01 0.00 1.72 0.00 0.00 39.33 42.22 1dfi h ASP 118 CO 0.08 -0.77 -0.01 0.40 -2.88 0.00 0.00 179.24 176.07 1dfi h ILE 119 N -1.27 1.26 0.00 2.25 1.08 -1.04 -1.82 117.51 117.98 1dfi h ILE 119 Ca -0.13 -1.00 -0.15 0.00 -0.39 0.00 0.00 64.86 63.19 1dfi h ILE 119 Cb 0.97 1.17 -0.02 0.00 -3.07 0.00 0.00 36.82 35.87 1dfi h ILE 119 CO 0.21 0.33 -0.91 0.28 -0.69 0.00 0.00 178.15 177.38 1dfi h SER 120 N 0.48 0.00 0.00 1.72 0.02 -1.20 -3.38 113.55 111.19 1dfi h SER 120 Ca 0.10 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1dfi h SER 120 Cb 0.47 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 1dfi h SER 120 CO 0.02 0.65 -0.46 -0.24 -1.14 0.00 0.00 176.83 175.66 1dfi n SER 121 N -3.15 0.64 -0.35 3.07 2.88 -0.42 -4.76 113.62 111.53 1dfi n SER 121 Ca -0.02 0.08 0.03 0.00 -1.33 0.00 0.00 58.87 57.63 1dfi n SER 121 Cb 0.82 -0.20 0.20 0.00 -0.75 0.00 0.00 64.21 64.28 1dfi n SER 121 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1dfi h TYR 122 N -0.01 1.15 -1.04 0.66 3.20 -0.93 -2.48 116.97 117.53 1dfi h TYR 122 Ca -0.00 0.03 0.28 0.00 3.14 0.00 0.00 58.73 62.17 1dfi h TYR 122 Cb 0.45 -0.38 -0.07 0.00 1.54 0.00 0.00 36.73 38.27 1dfi h TYR 122 CO -0.00 0.60 0.70 0.66 -1.64 0.00 0.00 178.16 178.48 1dfi h SER 123 N 1.13 0.29 0.46 -2.11 4.64 -1.51 0.66 113.55 117.12 1dfi h SER 123 Ca 0.41 0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.76 1dfi h SER 123 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1dfi h SER 123 CO -0.16 0.07 -0.22 0.15 -0.87 0.00 0.00 176.83 175.80 1dfi h PHE 124 N 0.26 -0.57 0.00 4.77 3.57 -1.73 -1.25 116.94 121.98 1dfi h PHE 124 Ca 0.55 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.97 1dfi h PHE 124 Cb 1.66 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 40.58 1dfi h PHE 124 CO -0.00 -0.29 -0.32 -0.24 -2.23 0.00 0.00 178.31 175.23 1dfi h VAL 125 N -0.76 0.77 -0.48 1.41 3.04 -1.52 -2.88 116.25 115.83 1dfi h VAL 125 Ca -0.06 -1.35 -0.01 0.00 -1.01 0.00 0.00 66.70 64.27 1dfi h VAL 125 Cb 0.54 1.85 -0.02 0.00 -2.01 0.00 0.00 31.29 31.65 1dfi h VAL 125 CO 0.10 0.31 0.28 0.00 -1.01 0.00 0.00 177.57 177.26 1dfi h ALA 126 N 1.68 0.62 -0.30 3.17 0.00 -0.60 0.75 119.26 124.59 1dfi h ALA 126 Ca -0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1dfi h ALA 126 Cb 0.83 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1dfi h ALA 126 CO 0.04 0.12 -0.17 0.52 0.00 0.00 0.00 179.25 179.76 1dfi h MET 127 N 0.64 0.54 -0.48 0.00 2.07 -1.07 -2.46 114.93 114.18 1dfi h MET 127 Ca 0.17 -0.18 -0.11 0.00 -2.07 0.00 0.00 59.70 57.51 1dfi h MET 127 Cb 0.01 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 29.68 1dfi h MET 127 CO -0.03 0.69 -0.14 0.00 1.07 0.00 0.00 176.91 178.50 1dfi h ALA 128 N 1.33 0.66 -0.63 6.32 0.00 -1.21 -1.93 119.26 123.81 1dfi h ALA 128 Ca 0.08 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.69 1dfi h ALA 128 Cb 0.58 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1dfi h ALA 128 CO 0.04 0.58 0.36 -0.22 0.00 0.00 0.00 179.25 180.01 1dfi h LYS 129 N 0.78 0.66 -0.17 0.00 3.64 -0.61 -0.26 116.57 120.62 1dfi h LYS 129 Ca 0.12 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.33 1dfi h LYS 129 Cb 0.69 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1dfi h LYS 129 CO 0.05 0.44 -0.45 0.00 -2.27 0.00 0.00 179.45 177.22 1dfi h ALA 130 N 1.31 0.91 -0.43 5.00 0.00 -1.05 -3.21 119.26 121.79 1dfi h ALA 130 Ca 0.27 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1dfi h ALA 130 Cb 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1dfi h ALA 130 CO -0.15 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.74 1dfi h ARG 132 N 2.52 0.34 0.00 0.00 2.43 -1.04 0.30 114.38 118.93 1dfi h ARG 132 Ca 0.00 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1dfi h ARG 132 Cb 0.80 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1dfi h ARG 132 CO 0.00 0.22 -0.19 0.77 -1.51 0.00 0.00 179.97 179.26 1dfi h SER 133 N 0.35 0.00 -0.01 -3.80 0.02 -1.84 -3.05 113.55 105.22 1dfi h SER 133 Ca 0.57 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.52 1dfi h SER 133 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1dfi h SER 133 CO -0.56 0.19 -0.00 0.23 -1.14 0.00 0.00 176.83 175.55 1dfi n MET 134 N -3.39 1.58 -3.01 3.45 2.81 0.10 -4.89 117.12 113.76 1dfi n MET 134 Ca -0.00 -0.84 -0.40 0.00 -1.81 0.00 0.00 57.70 54.65 1dfi n MET 134 Cb 0.40 -1.48 -0.05 0.00 -0.71 0.00 0.00 33.22 31.38 1dfi n MET 134 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1dfi s LEU 135 N -2.00 4.38 0.54 4.03 1.43 -1.12 -0.86 118.68 125.08 1dfi s LEU 135 Ca 0.39 1.32 -0.16 0.00 -1.03 0.00 0.00 54.13 54.65 1dfi s LEU 135 Cb 0.21 -3.16 -0.06 0.00 0.03 0.00 0.00 46.19 43.21 1dfi s LEU 135 CO 0.34 -0.06 1.01 0.20 0.23 0.00 0.00 176.35 178.07 1dfi s ASN 136 N 0.42 6.31 0.44 2.29 0.01 -0.33 -4.90 114.94 119.17 1dfi s ASN 136 Ca 0.38 1.66 -0.25 0.00 -0.71 0.00 0.00 52.86 53.94 1dfi s ASN 136 Cb -0.19 -2.52 -0.08 0.00 0.41 0.00 0.00 41.25 38.87 1dfi s ASN 136 CO 0.21 -0.81 1.42 -2.84 -1.51 0.00 0.00 177.10 173.57 1dfi s PRO 137 N -4.08 3.73 0.00 -0.60 0.02 -1.26 -1.39 135.00 131.42 1dfi s PRO 137 Ca 0.61 2.40 0.00 0.00 0.02 0.00 0.00 61.00 64.02 1dfi s PRO 137 Cb -0.12 -2.68 0.00 0.00 0.02 0.00 0.00 34.50 31.72 1dfi s PRO 137 CO 0.34 -0.77 0.00 0.41 -0.33 0.00 0.00 177.00 176.64 1dfi n GLY 138 N 0.58 0.72 3.78 0.52 0.00 -0.13 -5.04 105.19 105.62 1dfi n GLY 138 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1dfi n GLY 138 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dfi s SER 139 N -2.66 4.53 -0.04 1.61 0.01 -0.49 -4.91 113.70 111.75 1dfi s SER 139 Ca 0.00 1.65 -0.02 0.00 1.31 0.00 0.00 55.95 58.89 1dfi s SER 139 Cb 0.00 -2.39 0.03 0.00 0.21 0.00 0.00 66.02 63.86 1dfi s SER 139 CO 0.00 -1.99 0.08 0.00 0.41 0.00 0.00 173.24 171.74 1dfi s ALA 140 N -2.97 -0.12 0.01 1.44 0.00 -0.85 -1.73 121.76 117.54 1dfi s ALA 140 Ca 0.61 0.42 0.03 0.00 0.00 0.00 0.00 51.96 53.03 1dfi s ALA 140 Cb -0.16 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 1dfi s ALA 140 CO 0.56 -0.11 -0.06 -0.51 0.00 0.00 0.00 175.76 175.64 1dfi s LEU 141 N 0.86 3.19 -0.02 0.00 1.43 0.05 -3.04 118.68 121.15 1dfi s LEU 141 Ca -0.07 -0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 52.83 1dfi s LEU 141 Cb -0.09 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.29 1dfi s LEU 141 CO -0.03 0.27 0.11 -0.22 0.23 0.00 0.00 176.35 176.70 1dfi s LEU 142 N -1.52 1.63 0.20 1.79 2.96 -0.96 -1.60 118.68 121.19 1dfi s LEU 142 Ca 0.18 0.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.13 1dfi s LEU 142 Cb -0.11 0.44 -0.05 0.00 0.50 0.00 0.00 46.19 46.97 1dfi s LEU 142 CO 0.09 -0.16 0.06 0.28 -1.32 0.00 0.00 176.35 175.30 1dfi s THR 143 N -0.49 0.42 -0.12 3.68 -1.32 -0.87 0.12 115.64 117.05 1dfi s THR 143 Ca -0.06 -1.98 -0.00 0.00 -1.21 0.00 0.00 61.69 58.44 1dfi s THR 143 Cb -0.04 -2.34 -0.02 0.00 -1.51 0.00 0.00 72.50 68.59 1dfi s THR 143 CO 0.00 -0.24 -0.10 -0.76 -2.21 0.00 0.00 174.62 171.32 1dfi s LEU 144 N -3.20 2.90 0.00 9.08 2.01 -1.18 -1.45 118.68 126.85 1dfi s LEU 144 Ca 0.31 -0.23 0.00 0.00 0.01 0.00 0.00 54.13 54.22 1dfi s LEU 144 Cb 0.07 -1.66 -0.00 0.00 0.01 0.00 0.00 46.19 44.61 1dfi s LEU 144 CO 0.08 0.21 0.00 -0.24 1.01 0.00 0.00 176.35 177.41 1dfi n SER 145 N 3.24 1.33 -3.66 2.29 2.88 0.50 -4.92 113.62 115.28 1dfi n SER 145 Ca -0.18 -1.08 -0.12 0.00 -1.33 0.00 0.00 58.87 56.16 1dfi n SER 145 Cb 0.53 0.03 -0.06 0.00 -0.75 0.00 0.00 64.21 63.96 1dfi n SER 145 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1dfi s TYR 146 N -1.41 -0.24 0.56 0.66 5.04 -1.26 -2.27 117.35 118.42 1dfi s TYR 146 Ca 0.01 0.14 0.29 0.00 -2.44 0.00 0.00 57.07 55.06 1dfi s TYR 146 Cb 0.00 0.22 1.46 0.00 0.35 0.00 0.00 41.96 43.99 1dfi s TYR 146 CO 0.00 -0.59 1.93 1.25 -1.34 0.00 0.00 175.55 176.80 1dfi h LEU 147 N 2.89 0.00 -2.47 6.97 5.85 -1.91 -0.42 115.31 126.21 1dfi h LEU 147 Ca -0.32 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.42 1dfi h LEU 147 Cb 1.21 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 1dfi h LEU 147 CO 0.44 0.00 0.15 1.23 -0.34 0.00 0.00 178.44 179.92 1dfi h GLY 148 N 0.00 0.00 2.00 3.75 0.00 -1.94 0.94 103.07 107.81 1dfi h GLY 148 Ca 0.29 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.53 1dfi h GLY 148 CO -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 176.54 176.14 1dfi h ALA 149 N 1.75 1.28 0.00 3.60 0.00 -1.23 -3.34 119.26 121.33 1dfi h ALA 149 Ca 0.02 -0.36 -0.37 0.00 0.00 0.00 0.00 54.91 54.21 1dfi h ALA 149 Cb 0.33 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 1dfi h ALA 149 CO -0.00 0.49 -2.39 0.39 0.00 0.00 0.00 179.25 177.74 1dfi n GLU 150 N -3.97 0.71 -4.31 0.00 1.02 0.24 -4.54 120.64 109.79 1dfi n GLU 150 Ca -0.02 0.01 -0.17 0.00 -0.02 0.00 0.00 57.16 56.96 1dfi n GLU 150 Cb 0.44 -1.52 -0.10 0.00 -0.02 0.00 0.00 31.44 30.24 1dfi n GLU 150 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1dfi s ARG 151 N -2.49 1.23 -0.30 3.49 0.52 -0.71 -5.10 118.95 115.59 1dfi s ARG 151 Ca -0.12 -1.55 -0.27 0.00 -0.52 0.00 0.00 55.73 53.27 1dfi s ARG 151 Cb 0.06 -0.88 0.01 0.00 0.52 0.00 0.00 34.95 34.66 1dfi s ARG 151 CO 0.80 0.11 0.95 0.00 0.02 0.00 0.00 175.30 177.18 1dfi s ALA 152 N -3.15 3.54 -0.14 2.13 0.00 -1.26 -4.41 121.76 118.47 1dfi s ALA 152 Ca 0.21 -0.19 -0.00 0.00 0.00 0.00 0.00 51.96 51.98 1dfi s ALA 152 Cb 0.01 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 1dfi s ALA 152 CO 0.05 -1.31 -0.13 0.42 0.00 0.00 0.00 175.76 174.79 1dfi s ILE 153 N 3.29 3.04 0.25 0.00 1.01 -1.26 -5.09 121.20 122.44 1dfi s ILE 153 Ca 0.40 -0.66 -0.30 0.00 0.00 0.00 0.00 60.65 60.09 1dfi s ILE 153 Cb -0.13 -2.28 -0.14 0.00 0.01 0.00 0.00 42.46 39.91 1dfi s ILE 153 CO 0.13 0.52 1.10 -2.65 0.00 0.00 0.00 174.94 174.03 1dfi n PRO 154 N 3.64 1.36 0.00 2.79 -0.02 -1.26 -1.62 135.00 139.89 1dfi n PRO 154 Ca -0.18 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1dfi n PRO 154 Cb 0.52 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 1dfi n PRO 154 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1dfi n ASN 155 N 1.56 0.00 0.07 2.55 3.02 -1.26 -4.66 115.26 116.54 1dfi n ASN 155 Ca 0.11 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.61 1dfi n ASN 155 Cb 0.30 -0.99 0.12 0.00 -0.61 0.00 0.00 39.78 38.60 1dfi n ASN 155 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1dfi h TYR 156 N 0.00 0.38 0.00 3.10 3.20 -1.60 -3.40 116.97 118.65 1dfi h TYR 156 Ca 0.00 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.73 1dfi h TYR 156 Cb 0.00 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.20 1dfi h TYR 156 CO 0.00 0.80 0.00 0.09 -1.64 0.00 0.00 178.16 177.41 1dfi n ASN 157 N -3.91 0.00 0.28 -2.11 3.02 -1.24 -2.06 115.26 109.23 1dfi n ASN 157 Ca -0.02 0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.71 1dfi n ASN 157 Cb 0.59 0.00 0.99 0.00 -0.61 0.00 0.00 39.78 40.75 1dfi n ASN 157 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1dfi h VAL 158 N 0.00 0.00 -0.25 2.41 3.04 -1.89 0.40 116.25 119.95 1dfi h VAL 158 Ca 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.63 1dfi h VAL 158 Cb 0.00 0.80 -0.01 0.00 -2.01 0.00 0.00 31.29 30.07 1dfi h VAL 158 CO 0.00 0.00 -0.09 0.24 -1.01 0.00 0.00 177.57 176.71 1dfi h MET 159 N 0.00 0.41 -0.68 4.17 2.86 -1.79 -1.95 114.93 117.95 1dfi h MET 159 Ca 0.00 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1dfi h MET 159 Cb 0.04 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 1dfi h MET 159 CO 0.00 0.51 0.40 0.78 1.06 0.00 0.00 176.91 179.66 1dfi h GLY 160 N 0.84 0.98 1.20 8.32 0.00 -1.01 0.21 103.07 113.60 1dfi h GLY 160 Ca 0.08 -0.41 -0.21 0.00 0.00 0.00 0.00 47.33 46.79 1dfi h GLY 160 CO 0.02 0.39 -0.70 1.41 0.00 0.00 0.00 176.54 177.67 1dfi h LEU 161 N 0.93 0.94 -0.88 3.11 4.07 -1.54 -1.13 115.31 120.81 1dfi h LEU 161 Ca 0.24 -0.57 -0.10 0.00 0.08 0.00 0.00 57.88 57.53 1dfi h LEU 161 Cb -0.02 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.43 1dfi h LEU 161 CO -0.04 1.37 -0.25 0.00 -1.08 0.00 0.00 178.44 178.43 1dfi h ALA 162 N 0.62 1.05 0.00 1.53 0.00 -0.83 -1.75 119.26 119.88 1dfi h ALA 162 Ca -0.03 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 1dfi h ALA 162 Cb 1.32 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1dfi h ALA 162 CO 0.15 0.58 -0.48 0.87 0.00 0.00 0.00 179.25 180.36 1dfi h LYS 163 N 0.47 0.00 -0.28 0.00 1.79 -0.40 -1.59 116.57 116.56 1dfi h LYS 163 Ca 0.07 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.47 1dfi h LYS 163 Cb 0.69 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.33 1dfi h LYS 163 CO 0.05 0.48 -0.08 0.00 -1.08 0.00 0.00 179.45 178.83 1dfi h ALA 164 N 1.52 0.39 -0.79 3.86 0.00 -0.83 -1.51 119.26 121.90 1dfi h ALA 164 Ca -0.00 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.70 1dfi h ALA 164 Cb 0.86 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 1dfi h ALA 164 CO 0.06 0.22 0.46 1.03 0.00 0.00 0.00 179.25 181.02 1dfi h SER 165 N 0.31 0.68 0.12 0.00 0.87 -1.09 -2.09 113.55 112.35 1dfi h SER 165 Ca 0.07 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1dfi h SER 165 Cb 0.56 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 1dfi h SER 165 CO 0.03 0.42 -0.16 0.25 -0.53 0.00 0.00 176.83 176.83 1dfi h LEU 166 N 0.81 -0.45 -1.77 2.23 6.46 -0.99 0.51 115.31 122.10 1dfi h LEU 166 Ca 0.36 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 58.15 1dfi h LEU 166 Cb 0.26 0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 40.35 1dfi h LEU 166 CO -0.21 -0.24 -0.12 -0.33 -0.62 0.00 0.00 178.44 176.92 1dfi h GLU 167 N -0.34 0.00 0.01 1.25 5.08 -0.93 0.28 114.58 119.94 1dfi h GLU 167 Ca 0.01 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.18 1dfi h GLU 167 Cb 0.34 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1dfi h GLU 167 CO -0.07 0.12 -0.92 0.00 -1.00 0.00 0.00 179.01 177.13 1dfi h ALA 168 N 1.88 0.48 -0.47 3.43 0.00 -1.02 -2.72 119.26 120.84 1dfi h ALA 168 Ca -0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 54.91 54.09 1dfi h ALA 168 Cb 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1dfi h ALA 168 CO 0.02 1.04 0.19 -0.97 0.00 0.00 0.00 179.25 179.53 1dfi h ASN 169 N 0.04 0.64 -0.63 0.00 -0.73 0.17 -0.93 115.58 114.14 1dfi h ASN 169 Ca -0.03 -0.16 0.11 0.00 1.87 0.00 0.00 56.30 58.08 1dfi h ASN 169 Cb 1.60 -0.17 -0.08 0.00 0.27 0.00 0.00 38.32 39.94 1dfi h ASN 169 CO 0.13 0.63 0.21 0.58 -0.37 0.00 0.00 177.43 178.61 1dfi h VAL 170 N 0.61 0.71 -0.43 2.57 2.07 -0.56 0.52 116.25 121.74 1dfi h VAL 170 Ca 0.16 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.46 1dfi h VAL 170 Cb 0.18 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1dfi h VAL 170 CO -0.01 0.07 -0.07 0.03 0.02 0.00 0.00 177.57 177.60 1dfi h ARG 171 N 0.37 0.81 -0.47 1.57 3.08 -1.01 -1.06 114.38 117.67 1dfi h ARG 171 Ca 0.33 -0.29 -0.14 0.00 0.07 0.00 0.00 59.98 59.95 1dfi h ARG 171 Cb 0.45 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1dfi h ARG 171 CO -0.35 0.91 -0.24 1.88 -1.07 0.00 0.00 179.97 181.10 1dfi h TYR 172 N 0.64 1.14 -0.70 3.04 -1.99 -0.48 -0.90 116.97 117.72 1dfi h TYR 172 Ca 0.11 -0.28 -0.07 0.00 2.00 0.00 0.00 58.73 60.49 1dfi h TYR 172 Cb 0.59 -0.26 -0.03 0.00 2.00 0.00 0.00 36.73 39.03 1dfi h TYR 172 CO 0.05 1.11 0.15 0.52 -0.00 0.00 0.00 178.16 179.98 1dfi h MET 173 N 0.84 1.13 -0.35 4.88 2.86 0.08 -1.26 114.93 123.12 1dfi h MET 173 Ca 0.10 -0.28 -0.09 0.00 -2.06 0.00 0.00 59.70 57.37 1dfi h MET 173 Cb 0.82 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 1dfi h MET 173 CO 0.07 1.01 -0.16 0.00 1.06 0.00 0.00 176.91 178.89 1dfi h ALA 174 N 1.07 1.07 -0.05 6.32 0.00 -0.99 0.63 119.26 127.32 1dfi h ALA 174 Ca 0.22 -0.32 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 1dfi h ALA 174 Cb 0.40 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1dfi h ALA 174 CO 0.01 0.57 -0.74 -0.97 0.00 0.00 0.00 179.25 178.11 1dfi h ASN 175 N 0.57 0.36 0.04 0.00 -1.24 -0.94 -2.08 115.58 112.29 1dfi h ASN 175 Ca 0.09 -0.25 -0.14 0.00 0.71 0.00 0.00 56.30 56.72 1dfi h ASN 175 Cb 0.60 -0.11 0.01 0.00 0.73 0.00 0.00 38.32 39.55 1dfi h ASN 175 CO 0.04 0.98 -0.57 0.00 -1.29 0.00 0.00 177.43 176.59 1dfi h ALA 176 N 1.01 0.02 0.00 1.57 0.00 -0.75 -3.36 119.26 117.75 1dfi h ALA 176 Ca -0.03 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1dfi h ALA 176 Cb 1.31 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1dfi h ALA 176 CO 0.12 0.29 -0.59 -1.33 0.00 0.00 0.00 179.25 177.74 1dfi n MET 177 N -4.26 0.20 -0.23 0.00 2.81 0.17 -4.32 117.12 111.48 1dfi n MET 177 Ca -0.11 0.05 0.01 0.00 -1.81 0.00 0.00 57.70 55.84 1dfi n MET 177 Cb 0.67 -1.62 0.12 0.00 -0.71 0.00 0.00 33.22 31.69 1dfi n MET 177 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1dfi h GLY 178 N 4.67 1.00 2.00 3.03 0.00 -1.38 -2.24 103.07 110.15 1dfi h GLY 178 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1dfi h GLY 178 CO 0.00 0.05 0.00 -2.55 0.00 0.00 0.00 176.54 174.04 1dfi h PRO 179 N 0.57 0.00 -0.59 4.80 0.11 -1.81 -1.54 132.00 133.54 1dfi h PRO 179 Ca 0.33 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.33 1dfi h PRO 179 Cb 0.34 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.39 1dfi h PRO 179 CO -0.26 0.00 0.12 -0.85 -0.21 0.00 0.00 178.00 176.80 1dfi n GLU 180 N -2.91 3.87 -0.69 1.05 0.28 -0.88 -4.94 120.64 116.42 1dfi n GLU 180 Ca -0.01 -3.08 0.00 0.00 -0.16 0.00 0.00 57.16 53.90 1dfi n GLU 180 Cb 0.15 -2.15 0.00 0.00 1.43 0.00 0.00 31.44 30.86 1dfi n GLU 180 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1dfi n GLY 181 N -0.03 0.63 3.74 -1.84 0.00 -0.58 -4.65 105.19 102.47 1dfi n GLY 181 Ca 0.33 -0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1dfi n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dfi s VAL 182 N -2.00 4.67 0.08 1.61 1.01 -0.97 -0.96 120.40 123.85 1dfi s VAL 182 Ca 0.00 -0.11 0.09 0.00 0.00 0.00 0.00 61.98 61.96 1dfi s VAL 182 Cb 0.00 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1dfi s VAL 182 CO 0.00 0.61 -0.20 -0.13 0.00 0.00 0.00 175.10 175.38 1dfi s ARG 183 N -0.93 1.84 -0.02 2.72 0.52 -0.71 -3.38 118.95 119.00 1dfi s ARG 183 Ca 0.14 -1.12 0.00 0.00 -0.52 0.00 0.00 55.73 54.23 1dfi s ARG 183 Cb -0.12 -2.10 0.03 0.00 0.52 0.00 0.00 34.95 33.28 1dfi s ARG 183 CO 0.03 0.50 0.01 0.08 0.02 0.00 0.00 175.30 175.94 1dfi s VAL 184 N -1.01 0.06 0.27 3.52 1.01 -1.26 -0.77 120.40 122.22 1dfi s VAL 184 Ca 0.16 0.15 -0.07 0.00 0.00 0.00 0.00 61.98 62.21 1dfi s VAL 184 Cb -0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 36.09 1dfi s VAL 184 CO 0.07 0.12 0.40 0.20 0.00 0.00 0.00 175.10 175.89 1dfi s ASN 185 N 1.03 0.28 0.08 3.32 0.01 -0.63 -0.22 114.94 118.80 1dfi s ASN 185 Ca -0.09 -1.20 0.01 0.00 -0.71 0.00 0.00 52.86 50.87 1dfi s ASN 185 Cb -0.13 0.57 -0.04 0.00 0.41 0.00 0.00 41.25 42.06 1dfi s ASN 185 CO -0.02 -1.12 -0.06 0.00 -1.51 0.00 0.00 177.10 174.38 1dfi s ALA 186 N -3.75 0.79 -0.11 0.60 0.00 0.51 -2.06 121.76 117.74 1dfi s ALA 186 Ca 0.29 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 51.09 1dfi s ALA 186 Cb 0.01 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 1dfi s ALA 186 CO 0.13 -0.20 -0.19 0.42 0.00 0.00 0.00 175.76 175.92 1dfi s ILE 187 N -3.09 2.53 -0.47 0.00 1.01 -0.52 -1.08 121.20 119.58 1dfi s ILE 187 Ca 0.05 -0.85 -0.10 0.00 0.00 0.00 0.00 60.65 59.75 1dfi s ILE 187 Cb 0.02 -2.02 0.11 0.00 0.01 0.00 0.00 42.46 40.58 1dfi s ILE 187 CO -0.04 0.54 0.35 -0.55 0.00 0.00 0.00 174.94 175.24 1dfi s SER 188 N 0.34 5.78 0.14 3.58 0.15 0.41 0.19 113.70 124.30 1dfi s SER 188 Ca -0.15 -1.77 -0.14 0.00 0.70 0.00 0.00 55.95 54.58 1dfi s SER 188 Cb -0.17 -2.04 -0.07 0.00 -1.71 0.00 0.00 66.02 62.03 1dfi s SER 188 CO 0.07 -0.68 0.54 0.00 1.20 0.00 0.00 173.24 174.38 1dfi s ALA 189 N 1.42 3.59 0.85 5.45 0.00 -0.96 -0.28 121.76 131.83 1dfi s ALA 189 Ca 0.05 -0.14 -0.12 0.00 0.00 0.00 0.00 51.96 51.75 1dfi s ALA 189 Cb -0.26 -2.51 0.10 0.00 0.00 0.00 0.00 23.12 20.45 1dfi s ALA 189 CO 0.01 0.46 1.16 0.20 0.00 0.00 0.00 175.76 177.59 1dfi s GLY 190 N -1.70 1.58 0.35 0.00 0.00 -0.40 -4.52 107.32 102.64 1dfi s GLY 190 Ca 0.37 -0.59 -0.27 0.00 0.00 0.00 0.00 44.72 44.23 1dfi s GLY 190 CO 0.19 -0.07 1.17 -1.55 0.00 0.00 0.00 173.10 172.84 1dfi n PRO 191 N -3.51 1.77 -3.91 2.90 -0.04 -1.26 -4.88 135.00 126.07 1dfi n PRO 191 Ca 0.07 0.62 -0.35 0.00 -0.04 0.00 0.00 63.50 63.81 1dfi n PRO 191 Cb 0.60 -2.16 -0.14 0.00 -0.04 0.00 0.00 33.50 31.76 1dfi n PRO 191 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1dfi s ILE 192 N -1.13 3.29 0.00 0.52 1.01 -1.26 -4.19 121.20 119.45 1dfi s ILE 192 Ca 0.58 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.63 1dfi s ILE 192 Cb -0.59 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.34 1dfi s ILE 192 CO 0.60 0.37 0.81 -1.14 0.00 0.00 0.00 174.94 175.58 1dfi n ARG 193 N 4.78 0.00 0.00 2.79 0.63 -1.26 -3.39 116.66 120.20 1dfi n ARG 193 Ca -0.18 0.74 0.00 0.00 -0.92 0.00 0.00 57.85 57.49 1dfi n ARG 193 Cb 0.50 -1.31 0.00 0.00 0.45 0.00 0.00 32.46 32.10 1dfi n ARG 193 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1dfi n THR 194 N -2.12 0.00 1.02 5.15 -2.24 -1.26 -5.16 114.28 109.67 1dfi n THR 194 Ca 0.00 0.57 0.00 0.00 -2.27 0.00 0.00 64.05 62.35 1dfi n THR 194 Cb 0.00 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.41 1dfi n THR 194 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1dfi n LEU 195 N -1.20 0.26 0.00 3.22 7.94 -1.22 -5.18 117.00 120.82 1dfi n LEU 195 Ca 0.00 -0.13 0.00 0.00 -1.11 0.00 0.00 56.01 54.77 1dfi n LEU 195 Cb 0.00 -0.13 0.00 0.00 0.53 0.00 0.00 43.42 43.82 1dfi n LEU 195 CO 0.00 0.07 0.00 1.15 -1.11 0.00 0.00 177.39 177.50 1dfi n MET 206 N -0.22 0.00 0.13 1.96 0.00 -1.26 -4.95 117.12 112.78 1dfi n MET 206 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 57.70 57.88 1dfi n MET 206 Cb 0.07 0.00 0.76 0.00 0.00 0.00 0.00 33.22 34.04 1dfi n MET 206 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1dfi h LEU 207 N 0.00 0.00 -0.77 3.17 3.38 -2.01 1.94 115.31 121.02 1dfi h LEU 207 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1dfi h LEU 207 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1dfi h LEU 207 CO 0.00 0.00 0.06 0.00 0.09 0.00 0.00 178.44 178.59 1dfi h ALA 208 N 1.74 0.98 0.51 1.53 0.00 -2.05 0.06 119.26 122.04 1dfi h ALA 208 Ca 0.15 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1dfi h ALA 208 Cb 0.69 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1dfi h ALA 208 CO -0.00 0.63 -0.25 1.25 0.00 0.00 0.00 179.25 180.89 1dfi h HIS 209 N 0.92 -0.64 -0.80 0.00 -0.00 0.24 -2.75 115.15 112.13 1dfi h HIS 209 Ca 0.18 -0.02 0.13 0.00 -0.00 0.00 0.00 60.37 60.67 1dfi h HIS 209 Cb 0.46 0.21 -0.14 0.00 -0.00 0.00 0.00 27.41 27.94 1dfi h HIS 209 CO 0.03 -0.40 -0.34 0.00 -0.00 0.00 0.00 177.93 177.22 1dfi h GLU 211 N -0.07 0.11 -0.57 0.00 5.08 -1.02 0.32 114.58 118.42 1dfi h GLU 211 Ca 0.30 -0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.77 1dfi h GLU 211 Cb 0.58 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1dfi h GLU 211 CO -0.84 0.07 0.39 0.00 -1.00 0.00 0.00 179.01 177.64 1dfi h ALA 212 N 1.25 2.17 -0.02 3.43 0.00 -0.71 -2.39 119.26 122.99 1dfi h ALA 212 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1dfi h ALA 212 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1dfi h ALA 212 CO -0.23 -0.31 -0.13 1.33 0.00 0.00 0.00 179.25 179.91 1dfi n VAL 213 N -4.45 0.00 -3.03 0.00 0.24 -0.41 -4.90 118.33 105.78 1dfi n VAL 213 Ca 0.10 -0.43 -0.40 0.00 -2.04 0.00 0.00 64.34 61.56 1dfi n VAL 213 Cb 0.45 1.33 -0.05 0.00 -1.47 0.00 0.00 33.84 34.10 1dfi n VAL 213 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1dfi s THR 214 N -1.75 4.97 0.30 3.34 2.01 0.10 -4.82 115.64 119.79 1dfi s THR 214 Ca 0.20 1.36 0.04 0.00 0.31 0.00 0.00 61.69 63.59 1dfi s THR 214 Cb 0.15 -4.02 0.34 0.00 0.01 0.00 0.00 72.50 68.99 1dfi s THR 214 CO 0.31 0.09 1.62 -0.65 -0.69 0.00 0.00 174.62 175.30 1dfi h PRO 215 N 7.39 0.13 0.00 4.92 0.11 -1.83 1.98 132.00 144.69 1dfi h PRO 215 Ca -0.31 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1dfi h PRO 215 Cb 1.14 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1dfi h PRO 215 CO 0.80 0.09 0.00 0.44 -0.21 0.00 0.00 178.00 179.11 1dfi n ILE 216 N -5.30 0.12 -2.76 4.15 -5.35 -1.19 -4.90 119.36 104.13 1dfi n ILE 216 Ca 0.23 0.03 -0.20 0.00 -0.27 0.00 0.00 62.75 62.54 1dfi n ILE 216 Cb 0.76 -0.58 0.02 0.00 -1.74 0.00 0.00 39.64 38.10 1dfi n ILE 216 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1dfi n ARG 217 N -1.30 -3.51 -3.51 6.28 5.12 0.67 -4.98 116.66 115.44 1dfi n ARG 217 Ca 0.12 0.87 -0.16 0.00 -1.93 0.00 0.00 57.85 56.75 1dfi n ARG 217 Cb 0.22 -5.52 -0.05 0.00 -1.16 0.00 0.00 32.46 25.95 1dfi n ARG 217 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1dfi s ARG 218 N -5.38 1.10 0.44 5.56 1.70 -1.26 -4.80 118.95 116.30 1dfi s ARG 218 Ca 0.18 0.01 -0.18 0.00 -0.47 0.00 0.00 55.73 55.27 1dfi s ARG 218 Cb -0.08 0.52 -0.10 0.00 -0.57 0.00 0.00 34.95 34.72 1dfi s ARG 218 CO 0.23 -0.39 0.92 0.95 -1.08 0.00 0.00 175.30 175.93 1dfi s THR 219 N -1.99 4.49 0.78 4.99 -4.23 -1.26 -4.86 115.64 113.55 1dfi s THR 219 Ca -0.07 1.30 -0.11 0.00 -1.18 0.00 0.00 61.69 61.63 1dfi s THR 219 Cb -0.00 -3.64 0.06 0.00 1.34 0.00 0.00 72.50 70.26 1dfi s THR 219 CO 0.03 -0.41 1.09 0.68 -0.54 0.00 0.00 174.62 175.47 1dfi s VAL 220 N -2.28 3.31 0.41 2.29 -7.23 -1.26 -4.93 120.40 110.72 1dfi s VAL 220 Ca 0.60 0.42 0.07 0.00 -1.81 0.00 0.00 61.98 61.26 1dfi s VAL 220 Cb -0.09 -2.94 -0.04 0.00 0.56 0.00 0.00 36.38 33.87 1dfi s VAL 220 CO 0.19 -0.56 0.25 0.42 -0.31 0.00 0.00 175.10 175.10 1dfi s THR 221 N -2.93 2.43 0.32 5.32 -4.23 -1.26 -4.42 115.64 110.87 1dfi s THR 221 Ca 0.61 -1.57 0.28 0.00 -1.18 0.00 0.00 61.69 59.83 1dfi s THR 221 Cb -0.17 -3.00 0.29 0.00 1.34 0.00 0.00 72.50 70.96 1dfi s THR 221 CO 0.56 -0.00 2.00 0.16 -0.54 0.00 0.00 174.62 176.80 1dfi h ILE 222 N 1.29 0.50 -0.37 2.99 3.07 -1.93 -1.01 117.51 122.05 1dfi h ILE 222 Ca -0.42 -0.70 -0.17 0.00 1.55 0.00 0.00 64.86 65.12 1dfi h ILE 222 Cb 1.26 1.47 -0.00 0.00 -0.27 0.00 0.00 36.82 39.28 1dfi h ILE 222 CO 0.66 0.14 -0.43 -0.33 -1.05 0.00 0.00 178.15 177.14 1dfi h GLU 223 N 0.00 0.93 0.12 0.16 4.39 -1.95 0.42 114.58 118.65 1dfi h GLU 223 Ca -0.00 -0.52 -0.01 0.00 0.34 0.00 0.00 59.36 59.18 1dfi h GLU 223 Cb 0.46 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1dfi h GLU 223 CO 0.02 1.17 -0.06 -0.44 -1.16 0.00 0.00 179.01 178.54 1dfi h ASP 224 N 0.75 -0.13 -0.39 1.42 3.32 -1.62 0.28 116.42 120.06 1dfi h ASP 224 Ca 0.05 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 56.96 1dfi h ASP 224 Cb 1.03 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 1dfi h ASP 224 CO 0.10 0.07 0.25 0.58 -1.72 0.00 0.00 179.24 178.52 1dfi h VAL 225 N -0.33 1.09 -0.94 -1.35 2.07 -1.25 -1.96 116.25 113.57 1dfi h VAL 225 Ca -0.02 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.36 1dfi h VAL 225 Cb 0.27 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 1dfi h VAL 225 CO 0.03 0.09 0.61 1.23 0.02 0.00 0.00 177.57 179.55 1dfi h GLY 226 N 0.51 1.38 0.94 2.17 0.00 0.12 -0.50 103.07 107.69 1dfi h GLY 226 Ca 0.14 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1dfi h GLY 226 CO -0.04 0.40 0.16 3.43 0.00 0.00 0.00 176.54 180.49 1dfi h ASN 227 N 1.19 0.42 -0.52 0.19 2.35 -0.03 -1.10 115.58 118.08 1dfi h ASN 227 Ca 0.38 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1dfi h ASN 227 Cb 0.00 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 1dfi h ASN 227 CO -0.12 0.43 0.31 0.28 -1.65 0.00 0.00 177.43 176.68 1dfi h SER 228 N 0.39 0.63 -0.50 5.81 0.02 -0.86 -2.02 113.55 117.01 1dfi h SER 228 Ca 0.11 -0.06 0.05 0.00 -0.84 0.00 0.00 61.79 61.05 1dfi h SER 228 Cb 0.12 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.45 1dfi h SER 228 CO -0.01 0.50 0.23 0.00 -1.14 0.00 0.00 176.83 176.41 1dfi h ALA 229 N 1.15 0.64 -0.35 3.77 0.00 -0.97 0.32 119.26 123.82 1dfi h ALA 229 Ca 0.19 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1dfi h ALA 229 Cb -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1dfi h ALA 229 CO -0.03 -0.13 0.18 0.00 0.00 0.00 0.00 179.25 179.26 1dfi h ALA 230 N 1.29 0.44 -0.39 0.00 0.00 -0.85 -0.20 119.26 119.55 1dfi h ALA 230 Ca 0.23 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1dfi h ALA 230 Cb 0.18 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1dfi h ALA 230 CO -0.19 -0.01 0.22 0.35 0.00 0.00 0.00 179.25 179.62 1dfi h PHE 231 N 0.43 0.41 0.00 0.00 3.57 -0.90 -1.88 116.94 118.57 1dfi h PHE 231 Ca 0.12 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1dfi h PHE 231 Cb 0.09 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.70 1dfi h PHE 231 CO -0.02 0.23 0.00 -0.07 -2.23 0.00 0.00 178.31 176.22 1dfi h LEU 232 N 0.45 0.00 -1.54 0.59 3.38 0.20 -1.84 115.31 116.55 1dfi h LEU 232 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1dfi h LEU 232 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1dfi h LEU 232 CO -0.08 0.00 -0.10 0.00 0.09 0.00 0.00 178.44 178.34 1dfi s SER 234 N -2.11 4.92 0.00 0.00 1.04 -0.69 -4.70 113.70 112.15 1dfi s SER 234 Ca 0.28 -0.58 0.29 0.00 0.48 0.00 0.00 55.95 56.41 1dfi s SER 234 Cb 0.20 0.01 1.25 0.00 0.10 0.00 0.00 66.02 67.58 1dfi s SER 234 CO 0.37 -1.44 1.93 0.47 0.98 0.00 0.00 173.24 175.55 1dfi n ASP 235 N -2.41 0.00 0.19 7.02 8.00 -1.26 -3.11 116.55 124.98 1dfi n ASP 235 Ca 0.14 0.44 0.05 0.00 0.71 0.00 0.00 54.79 56.14 1dfi n ASP 235 Cb 0.61 -0.48 0.51 0.00 -0.02 0.00 0.00 41.12 41.74 1dfi n ASP 235 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1dfi h LEU 236 N 0.00 0.11 -3.92 0.64 3.38 -1.89 -2.71 115.31 110.90 1dfi h LEU 236 Ca 0.00 -0.01 -0.57 0.00 0.09 0.00 0.00 57.88 57.38 1dfi h LEU 236 Cb 0.48 -0.03 -0.29 0.00 0.09 0.00 0.00 40.66 40.91 1dfi h LEU 236 CO 0.00 0.19 0.59 -1.54 0.09 0.00 0.00 178.44 177.77 1dfi n SER 237 N -4.40 5.74 0.01 -0.43 3.41 -1.18 -4.68 113.62 112.08 1dfi n SER 237 Ca -0.02 -3.73 0.06 0.00 -0.26 0.00 0.00 58.87 54.92 1dfi n SER 237 Cb 0.18 -0.85 0.26 0.00 -0.26 0.00 0.00 64.21 63.53 1dfi n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dfi n ALA 238 N -1.00 1.53 1.05 7.33 0.00 -1.02 -1.49 120.51 126.92 1dfi n ALA 238 Ca 0.58 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 54.10 1dfi n ALA 238 Cb 1.05 -1.20 0.09 0.00 0.00 0.00 0.00 19.45 19.39 1dfi n ALA 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dfi n GLY 239 N -0.30 0.14 3.43 0.00 0.00 -1.26 -4.89 105.19 102.32 1dfi n GLY 239 Ca 0.03 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 1dfi n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dfi s ILE 240 N -2.37 4.00 -0.13 -0.61 1.01 -0.55 -5.07 121.20 117.48 1dfi s ILE 240 Ca 0.22 -0.29 -0.23 0.00 0.00 0.00 0.00 60.65 60.35 1dfi s ILE 240 Cb 0.19 -2.83 0.06 0.00 0.01 0.00 0.00 42.46 39.88 1dfi s ILE 240 CO 0.50 0.40 0.57 -0.55 0.00 0.00 0.00 174.94 175.86 1dfi s SER 241 N 1.22 -0.55 -0.29 3.58 0.15 -1.26 -4.75 113.70 111.79 1dfi s SER 241 Ca 0.04 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.54 1dfi s SER 241 Cb -0.15 0.85 0.00 0.00 -1.71 0.00 0.00 66.02 65.01 1dfi s SER 241 CO 0.02 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.70 1dfi n GLY 242 N 1.95 0.60 3.73 9.45 0.00 0.70 -4.95 105.19 116.67 1dfi n GLY 242 Ca -0.17 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 1dfi n GLY 242 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dfi s GLU 243 N -1.74 2.89 -0.37 1.61 2.56 -1.25 -4.67 118.70 117.72 1dfi s GLU 243 Ca 0.00 -0.58 -0.06 0.00 0.00 0.00 0.00 54.97 54.33 1dfi s GLU 243 Cb 0.00 -2.74 0.06 0.00 2.00 0.00 0.00 34.13 33.45 1dfi s GLU 243 CO 0.00 0.62 0.15 0.08 -0.56 0.00 0.00 175.26 175.56 1dfi s VAL 244 N -1.16 3.73 -0.15 3.70 1.01 -1.26 -0.37 120.40 125.90 1dfi s VAL 244 Ca 0.22 -1.39 -0.17 0.00 0.00 0.00 0.00 61.98 60.64 1dfi s VAL 244 Cb -0.12 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1dfi s VAL 244 CO 0.13 -0.35 0.43 -0.69 0.00 0.00 0.00 175.10 174.62 1dfi s VAL 245 N 1.35 5.21 -0.13 2.92 1.01 -0.24 -4.87 120.40 125.66 1dfi s VAL 245 Ca 0.01 0.83 -0.21 0.00 0.00 0.00 0.00 61.98 62.60 1dfi s VAL 245 Cb -0.21 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 1dfi s VAL 245 CO 0.01 0.32 0.63 -1.00 0.00 0.00 0.00 175.10 175.05 1dfi s HIS 246 N 0.77 3.49 -0.60 5.22 3.76 -1.26 -0.44 115.29 126.23 1dfi s HIS 246 Ca 0.23 1.05 0.06 0.00 -0.15 0.00 0.00 55.06 56.25 1dfi s HIS 246 Cb -0.15 -2.75 0.22 0.00 1.11 0.00 0.00 32.58 31.02 1dfi s HIS 246 CO 0.08 0.01 0.60 0.28 -0.85 0.00 0.00 174.74 174.87 1dfi n VAL 247 N 4.08 1.33 -1.95 -0.90 0.31 0.61 -4.78 118.33 117.04 1dfi n VAL 247 Ca -0.03 -4.76 0.01 0.00 -0.01 0.00 0.00 64.34 59.56 1dfi n VAL 247 Cb 0.51 -2.06 0.02 0.00 -0.91 0.00 0.00 33.84 31.40 1dfi n VAL 247 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1dfi n ASP 248 N 1.43 0.35 -0.50 4.52 5.75 -1.26 -1.27 116.55 125.58 1dfi n ASP 248 Ca 0.26 -2.13 -0.06 0.00 -0.01 0.00 0.00 54.79 52.84 1dfi n ASP 248 Cb 0.42 -0.24 -0.03 0.00 -1.03 0.00 0.00 41.12 40.25 1dfi n ASP 248 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dfi n GLY 249 N -0.11 0.77 1.45 6.12 0.00 -1.26 -2.04 105.19 110.12 1dfi n GLY 249 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1dfi n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dfi n GLY 250 N -0.82 0.76 0.31 -0.02 0.00 -1.26 -3.17 105.19 100.98 1dfi n GLY 250 Ca -0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.01 1dfi n GLY 250 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1dfi h PHE 251 N 0.00 -0.26 0.00 1.61 3.57 -1.73 -1.23 116.94 118.91 1dfi h PHE 251 Ca 0.00 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1dfi h PHE 251 Cb 0.00 0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 1dfi h PHE 251 CO 0.00 -0.34 -0.01 0.66 -2.23 0.00 0.00 178.31 176.39 1dfi h SER 252 N 0.03 0.00 -0.35 0.41 4.64 -1.93 -3.03 113.55 113.33 1dfi h SER 252 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1dfi h SER 252 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1dfi h SER 252 CO -0.82 0.01 0.00 2.30 -0.87 0.00 0.00 176.83 177.45 1dfi n ILE 253 N -3.75 0.45 -3.23 0.95 -6.64 -0.46 -4.93 119.36 101.74 1dfi n ILE 253 Ca -0.03 -0.66 -0.19 0.00 -1.77 0.00 0.00 62.75 60.10 1dfi n ILE 253 Cb 0.09 0.83 0.00 0.00 -1.44 0.00 0.00 39.64 39.12 1dfi n ILE 253 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1dfi s ALA 254 N -1.55 4.41 -0.12 -1.28 0.00 -1.15 -5.14 121.76 116.93 1dfi s ALA 254 Ca 0.37 -1.79 -0.30 0.00 0.00 0.00 0.00 51.96 50.24 1dfi s ALA 254 Cb 0.21 -1.37 0.11 0.00 0.00 0.00 0.00 23.12 22.08 1dfi s ALA 254 CO 0.30 -0.36 0.90 0.00 0.00 0.00 0.00 175.76 176.60 1dfi s ALA 255 N -2.46 -1.88 -1.67 0.00 0.00 -1.26 -4.97 121.76 109.52 1dfi s ALA 255 Ca 0.53 1.47 -0.14 0.00 0.00 0.00 0.00 51.96 53.82 1dfi s ALA 255 Cb -0.07 -0.43 0.13 0.00 0.00 0.00 0.00 23.12 22.75 1dfi s ALA 255 CO 0.32 -0.35 0.60 -1.33 0.00 0.00 0.00 175.76 175.00 1dfi n MET 256 N 0.72 -2.51 0.00 0.00 2.81 -1.26 -4.81 117.12 112.06 1dfi n MET 256 Ca -0.13 0.31 0.00 0.00 -1.81 0.00 0.00 57.70 56.07 1dfi n MET 256 Cb 0.58 -4.76 0.00 0.00 -0.71 0.00 0.00 33.22 28.33 1dfi n MET 256 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1dfi n ASN 257 N -2.71 0.15 0.00 7.83 5.15 -1.26 -5.26 115.26 119.17 1dfi n ASN 257 Ca -0.03 -0.53 0.00 0.00 -0.60 0.00 0.00 54.58 53.42 1dfi n ASN 257 Cb 0.54 -0.08 0.00 0.00 -0.53 0.00 0.00 39.78 39.72 1dfi n ASN 257 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82