#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 0.28 1.61 1.16 -1.08 -1.40 117.46 118.03 1dfi n PHE 3 Ca 0.00 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.61 1dfi n PHE 3 Cb 0.00 0.00 0.02 0.00 -1.61 0.00 0.00 39.48 37.89 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 -0.84 1.30 -4.59 5.98 4.77 -0.50 -4.53 117.00 118.59 1dfi n LEU 4 Ca 0.09 -0.90 -0.52 0.00 -0.03 0.00 0.00 56.01 54.65 1dfi n LEU 4 Cb 0.04 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 1dfi n LEU 4 CO 0.06 0.27 0.87 -1.20 -1.33 0.00 0.00 177.39 176.06 1dfi n SER 5 N 0.07 1.58 0.00 -1.43 7.64 -0.50 -0.76 113.62 120.22 1dfi n SER 5 Ca 0.03 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1dfi n SER 5 Cb 0.15 -1.19 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 2.43 0.68 3.88 0.23 0.00 -1.24 -4.97 105.19 106.20 1dfi n GLY 6 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.73 3.53 -0.31 1.61 -0.14 0.06 -5.00 119.74 118.77 1dfi s LYS 7 Ca 0.00 -0.08 -0.02 0.00 -1.36 0.00 0.00 55.97 54.51 1dfi s LYS 7 Cb 0.00 -3.15 0.06 0.00 -1.68 0.00 0.00 37.83 33.06 1dfi s LYS 7 CO 0.00 0.72 0.02 1.03 -0.76 0.00 0.00 175.35 176.36 1dfi s ARG 8 N -1.38 2.35 -0.18 1.68 0.52 -1.26 -0.81 118.95 119.87 1dfi s ARG 8 Ca 0.21 -1.35 -0.02 0.00 -0.52 0.00 0.00 55.73 54.06 1dfi s ARG 8 Cb -0.13 -3.22 -0.01 0.00 0.52 0.00 0.00 34.95 32.11 1dfi s ARG 8 CO 0.11 -0.68 -0.10 0.42 0.02 0.00 0.00 175.30 175.06 1dfi s ILE 9 N 1.23 3.01 -0.08 1.52 -1.09 -0.64 -0.77 121.20 124.38 1dfi s ILE 9 Ca -0.03 -0.64 -0.28 0.00 -2.23 0.00 0.00 60.65 57.47 1dfi s ILE 9 Cb -0.20 -2.32 -0.02 0.00 -1.58 0.00 0.00 42.46 38.34 1dfi s ILE 9 CO -0.02 0.48 0.90 -0.22 -1.23 0.00 0.00 174.94 174.86 1dfi s LEU 10 N 1.02 4.28 -0.14 2.97 2.96 -0.72 -1.92 118.68 127.13 1dfi s LEU 10 Ca -0.01 1.42 0.00 0.00 -0.22 0.00 0.00 54.13 55.33 1dfi s LEU 10 Cb -0.15 -3.40 -0.01 0.00 0.50 0.00 0.00 46.19 43.14 1dfi s LEU 10 CO -0.02 -0.32 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.86 1dfi s VAL 11 N 1.51 2.82 0.03 1.68 1.01 0.09 -0.70 120.40 126.84 1dfi s VAL 11 Ca 0.45 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.76 1dfi s VAL 11 Cb -0.19 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1dfi s VAL 11 CO 0.20 0.52 -0.15 -0.89 0.00 0.00 0.00 175.10 174.78 1dfi s THR 12 N 0.59 3.04 0.00 3.92 2.01 -1.16 -2.43 115.64 121.60 1dfi s THR 12 Ca -0.09 -1.06 0.00 0.00 0.31 0.00 0.00 61.69 60.85 1dfi s THR 12 Cb -0.16 -2.29 0.00 0.00 0.01 0.00 0.00 72.50 70.06 1dfi s THR 12 CO 0.03 0.36 0.00 0.61 -0.69 0.00 0.00 174.62 174.93 1dfi n GLY 13 N 1.56 0.47 3.61 4.40 0.00 -1.26 -4.06 105.19 109.90 1dfi n GLY 13 Ca -0.16 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.00 3.94 -0.10 1.61 1.01 -1.26 -4.66 120.40 118.94 1dfi s VAL 14 Ca 0.00 0.99 0.03 0.00 0.00 0.00 0.00 61.98 62.99 1dfi s VAL 14 Cb 0.00 -4.16 -0.08 0.00 0.00 0.00 0.00 36.38 32.14 1dfi s VAL 14 CO 0.00 -0.67 -0.06 0.00 0.00 0.00 0.00 175.10 174.37 1dfi n ALA 15 N 8.56 1.78 -2.99 5.51 0.00 -1.26 -4.88 120.51 127.23 1dfi n ALA 15 Ca 0.16 -0.48 -0.13 0.00 0.00 0.00 0.00 53.44 52.99 1dfi n ALA 15 Cb 0.48 0.21 -0.04 0.00 0.00 0.00 0.00 19.45 20.09 1dfi n ALA 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1dfi s SER 16 N -4.77 0.59 0.00 0.00 1.04 -1.26 -4.92 113.70 104.38 1dfi s SER 16 Ca -0.12 -1.33 0.30 0.00 0.48 0.00 0.00 55.95 55.28 1dfi s SER 16 Cb 0.03 0.65 1.61 0.00 0.10 0.00 0.00 66.02 68.41 1dfi s SER 16 CO 0.27 -1.27 2.06 2.29 0.98 0.00 0.00 173.24 177.57 1dfi n LYS 17 N -0.51 1.22 0.02 4.02 2.85 -1.26 -2.05 118.16 122.45 1dfi n LYS 17 Ca -0.00 -0.31 0.11 0.00 -1.05 0.00 0.00 58.31 57.05 1dfi n LYS 17 Cb 0.62 -1.49 -0.08 0.00 -0.65 0.00 0.00 35.03 33.43 1dfi n LYS 17 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1dfi n LEU 18 N -0.61 0.42 -4.76 -5.58 4.77 -1.26 -4.73 117.00 105.25 1dfi n LEU 18 Ca 0.22 0.01 -0.40 0.00 -0.03 0.00 0.00 56.01 55.81 1dfi n LEU 18 Cb 0.19 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.20 1dfi n LEU 18 CO 0.17 -0.00 0.83 -0.94 -1.33 0.00 0.00 177.39 176.12 1dfi s SER 19 N -4.38 7.18 0.30 -1.43 1.04 -0.87 -4.71 113.70 110.83 1dfi s SER 19 Ca -0.02 2.34 0.05 0.00 0.48 0.00 0.00 55.95 58.80 1dfi s SER 19 Cb 0.13 -2.63 0.72 0.00 0.10 0.00 0.00 66.02 64.34 1dfi s SER 19 CO 0.85 -0.22 1.77 0.40 0.98 0.00 0.00 173.24 177.03 1dfi h ILE 20 N 3.12 0.70 -0.17 -1.02 2.04 -1.90 -0.31 117.51 119.97 1dfi h ILE 20 Ca -0.47 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 1dfi h ILE 20 Cb 1.21 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1dfi h ILE 20 CO 0.67 0.14 -0.03 0.00 0.00 0.00 0.00 178.15 178.92 1dfi h ALA 21 N 1.64 1.63 -0.05 1.87 0.00 -1.88 -1.18 119.26 121.28 1dfi h ALA 21 Ca 0.57 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 1dfi h ALA 21 Cb 0.88 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1dfi h ALA 21 CO -0.38 0.27 0.03 -0.92 0.00 0.00 0.00 179.25 178.25 1dfi h TYR 22 N 0.24 0.07 -0.92 0.00 3.20 -1.27 0.32 116.97 118.62 1dfi h TYR 22 Ca 0.06 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.02 1dfi h TYR 22 Cb 0.23 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.41 1dfi h TYR 22 CO 0.00 0.15 0.59 0.78 -1.64 0.00 0.00 178.16 178.05 1dfi h GLY 23 N -0.02 1.36 0.98 1.82 0.00 -1.19 -0.28 103.07 105.73 1dfi h GLY 23 Ca 0.02 -0.39 -0.12 0.00 0.00 0.00 0.00 47.33 46.84 1dfi h GLY 23 CO -0.00 0.21 -0.30 -2.22 0.00 0.00 0.00 176.54 174.23 1dfi h ILE 24 N 0.93 1.30 -0.41 2.60 2.04 -0.54 -2.66 117.51 120.78 1dfi h ILE 24 Ca 0.43 -1.47 0.02 0.00 1.00 0.00 0.00 64.86 64.83 1dfi h ILE 24 Cb 0.40 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 1dfi h ILE 24 CO -0.19 0.47 0.24 0.00 0.00 0.00 0.00 178.15 178.67 1dfi h ALA 25 N 0.70 0.51 -0.56 1.87 0.00 0.11 -1.91 119.26 119.99 1dfi h ALA 25 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1dfi h ALA 25 Cb 0.87 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1dfi h ALA 25 CO 0.07 -0.09 0.36 1.96 0.00 0.00 0.00 179.25 181.55 1dfi h GLN 26 N 0.49 0.75 -0.46 0.00 4.20 -1.08 0.12 115.11 119.13 1dfi h GLN 26 Ca 0.16 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.71 1dfi h GLN 26 Cb 0.00 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 1dfi h GLN 26 CO -0.07 0.51 -0.13 0.00 -0.67 0.00 0.00 178.83 178.47 1dfi h ALA 27 N 1.19 0.63 -0.74 3.87 0.00 -1.31 -0.65 119.26 122.24 1dfi h ALA 27 Ca 0.20 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1dfi h ALA 27 Cb -0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1dfi h ALA 27 CO -0.04 0.54 0.35 0.52 0.00 0.00 0.00 179.25 180.62 1dfi h MET 28 N 0.73 1.08 -0.61 0.00 2.86 -1.01 -1.12 114.93 116.86 1dfi h MET 28 Ca 0.11 -0.16 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 1dfi h MET 28 Cb 0.68 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1dfi h MET 28 CO 0.05 0.85 0.00 1.25 1.06 0.00 0.00 176.91 180.12 1dfi h HIS 29 N 1.05 1.16 -0.31 -0.22 6.17 -0.65 -1.89 115.15 120.46 1dfi h HIS 29 Ca 0.25 -0.20 -0.03 0.00 0.71 0.00 0.00 60.37 61.11 1dfi h HIS 29 Cb 0.13 -0.30 -0.02 0.00 2.52 0.00 0.00 27.41 29.74 1dfi h HIS 29 CO 0.01 1.02 0.08 -0.09 0.71 0.00 0.00 177.93 179.66 1dfi h ARG 30 N 0.97 0.44 -0.08 5.26 2.43 -0.54 -1.68 114.38 121.18 1dfi h ARG 30 Ca 0.17 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1dfi h ARG 30 Cb 0.56 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1dfi h ARG 30 CO 0.03 0.41 0.00 0.39 -1.51 0.00 0.00 179.97 179.29 1dfi n GLU 31 N -4.37 1.52 0.00 0.20 -0.58 -0.48 -4.66 120.64 112.27 1dfi n GLU 31 Ca 0.01 -0.77 0.00 0.00 -0.42 0.00 0.00 57.16 55.99 1dfi n GLU 31 Cb 0.17 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 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 1.07 1.07 3.81 0.62 0.00 -0.63 -1.42 105.19 109.71 1dfi n GLY 32 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 3.05 -0.22 4.61 0.00 -0.76 -3.50 121.76 122.94 1dfi s ALA 33 Ca 0.00 0.48 -0.14 0.00 0.00 0.00 0.00 51.96 52.30 1dfi s ALA 33 Cb 0.00 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 1dfi s ALA 33 CO 0.00 0.05 0.32 -1.21 0.00 0.00 0.00 175.76 174.92 1dfi s GLU 34 N -2.91 4.13 0.14 0.00 2.02 0.01 -4.58 118.70 117.51 1dfi s GLU 34 Ca 0.60 0.04 0.07 0.00 0.02 0.00 0.00 54.97 55.70 1dfi s GLU 34 Cb -0.13 -3.55 -0.04 0.00 0.10 0.00 0.00 34.13 30.51 1dfi s GLU 34 CO 0.17 -0.03 -0.06 -0.51 0.02 0.00 0.00 175.26 174.85 1dfi s LEU 35 N 1.31 3.14 0.10 1.80 1.43 -1.26 -1.62 118.68 123.58 1dfi s LEU 35 Ca 0.15 -0.42 0.08 0.00 -1.03 0.00 0.00 54.13 52.91 1dfi s LEU 35 Cb -0.14 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 1dfi s LEU 35 CO 0.07 0.13 -0.19 0.00 0.23 0.00 0.00 176.35 176.59 1dfi s ALA 36 N -1.50 1.68 0.11 4.21 0.00 -0.81 -4.64 121.76 120.83 1dfi s ALA 36 Ca 0.24 -1.21 0.06 0.00 0.00 0.00 0.00 51.96 51.05 1dfi s ALA 36 Cb -0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 1dfi s ALA 36 CO 0.16 0.31 -0.15 -0.06 0.00 0.00 0.00 175.76 176.02 1dfi s PHE 37 N -1.24 1.43 0.20 0.00 0.40 0.49 -0.73 117.98 118.52 1dfi s PHE 37 Ca 0.05 -0.52 0.08 0.00 -0.60 0.00 0.00 56.93 55.94 1dfi s PHE 37 Cb -0.10 -0.76 -0.05 0.00 0.51 0.00 0.00 43.02 42.63 1dfi s PHE 37 CO 0.04 0.14 -0.15 0.95 0.70 0.00 0.00 175.22 176.90 1dfi s THR 38 N -1.86 1.73 -0.01 0.64 -4.23 -1.02 -0.76 115.64 110.12 1dfi s THR 38 Ca 0.07 -2.16 -0.03 0.00 -1.18 0.00 0.00 61.69 58.39 1dfi s THR 38 Cb -0.06 -2.00 0.00 0.00 1.34 0.00 0.00 72.50 71.78 1dfi s THR 38 CO 0.03 -0.56 0.06 -0.72 -0.54 0.00 0.00 174.62 172.89 1dfi s TYR 39 N -2.84 0.01 0.02 3.99 1.13 0.62 -4.36 117.35 115.92 1dfi s TYR 39 Ca 0.21 -0.00 -0.26 0.00 -1.41 0.00 0.00 57.07 55.61 1dfi s TYR 39 Cb -0.01 -0.03 -0.17 0.00 -1.10 0.00 0.00 41.96 40.65 1dfi s TYR 39 CO 0.07 -0.10 1.35 0.37 -2.51 0.00 0.00 175.55 174.72 1dfi h GLN 40 N 5.51 -0.34 -5.01 -3.49 4.15 -1.88 0.81 115.11 114.86 1dfi h GLN 40 Ca -0.27 0.02 -0.39 0.00 0.77 0.00 0.00 58.65 58.79 1dfi h GLN 40 Cb 1.20 0.08 -0.14 0.00 0.21 0.00 0.00 27.48 28.83 1dfi h GLN 40 CO 0.45 -0.05 -0.62 0.54 -1.93 0.00 0.00 178.83 177.22 1dfi s ASN 41 N -5.10 1.61 0.44 -0.69 2.20 -1.26 -4.36 114.94 107.78 1dfi s ASN 41 Ca -0.15 -1.36 0.11 0.00 -0.94 0.00 0.00 52.86 50.53 1dfi s ASN 41 Cb 0.03 0.07 1.00 0.00 -2.00 0.00 0.00 41.25 40.35 1dfi s ASN 41 CO 0.58 -0.67 2.05 0.44 -2.94 0.00 0.00 177.10 176.56 1dfi h ASP 42 N 2.32 0.35 -0.57 3.54 3.32 -2.02 -2.20 116.42 121.16 1dfi h ASP 42 Ca -0.39 -0.00 0.06 0.00 0.02 0.00 0.00 57.03 56.72 1dfi h ASP 42 Cb 1.24 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 1dfi h ASP 42 CO 0.64 0.24 0.38 0.50 -1.72 0.00 0.00 179.24 179.27 1dfi h LYS 43 N 0.40 0.51 0.00 3.56 3.64 -2.01 -2.74 116.57 119.93 1dfi h LYS 43 Ca 0.17 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.38 1dfi h LYS 43 Cb 0.18 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1dfi h LYS 43 CO -0.04 0.34 -0.77 -0.07 -2.27 0.00 0.00 179.45 176.64 1dfi h LEU 44 N 0.53 0.00 -0.77 5.20 3.38 -1.82 -3.41 115.31 118.42 1dfi h LEU 44 Ca 0.25 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.33 1dfi h LEU 44 Cb 0.30 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.92 1dfi h LEU 44 CO -0.07 0.62 -0.39 0.50 0.09 0.00 0.00 178.44 179.19 1dfi h LYS 45 N 0.00 -0.10 -0.30 1.13 3.64 -1.47 -1.53 116.57 117.94 1dfi h LYS 45 Ca -0.04 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.41 1dfi h LYS 45 Cb 1.51 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 33.29 1dfi h LYS 45 CO 0.08 -0.07 -0.09 0.78 -2.27 0.00 0.00 179.45 177.87 1dfi h GLY 46 N -0.10 0.18 0.68 5.01 0.00 -1.79 0.37 103.07 107.42 1dfi h GLY 46 Ca 0.26 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 1dfi h GLY 46 CO -0.82 -0.13 -0.34 -0.09 0.00 0.00 0.00 176.54 175.16 1dfi h ARG 47 N -0.03 -0.72 -0.40 4.80 2.43 -1.71 -1.62 114.38 117.14 1dfi h ARG 47 Ca 0.15 0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.44 1dfi h ARG 47 Cb 0.25 0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 29.90 1dfi h ARG 47 CO -0.33 -0.48 -0.04 0.28 -1.51 0.00 0.00 179.97 177.90 1dfi h VAL 48 N -0.74 0.66 -0.98 0.20 2.07 -0.95 -0.33 116.25 116.17 1dfi h VAL 48 Ca -0.03 -0.02 0.22 0.00 0.82 0.00 0.00 66.70 67.69 1dfi h VAL 48 Cb 0.66 0.59 -0.09 0.00 -1.52 0.00 0.00 31.29 30.93 1dfi h VAL 48 CO -0.03 0.01 0.63 -0.33 0.02 0.00 0.00 177.57 177.86 1dfi h GLU 49 N 0.06 0.52 0.13 1.57 5.08 -0.48 0.69 114.58 122.15 1dfi h GLU 49 Ca 0.19 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1dfi h GLU 49 Cb 0.29 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1dfi h GLU 49 CO -0.36 0.34 -0.06 0.93 -1.00 0.00 0.00 179.01 178.86 1dfi h GLU 50 N 0.53 -0.17 -0.49 2.33 5.08 -0.10 -2.78 114.58 118.98 1dfi h GLU 50 Ca 0.55 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.96 1dfi h GLU 50 Cb 1.18 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.43 1dfi h GLU 50 CO -0.29 0.22 0.27 0.74 -1.00 0.00 0.00 179.01 178.94 1dfi h PHE 51 N -0.60 0.49 -0.70 4.33 0.04 -0.86 -2.33 116.94 117.31 1dfi h PHE 51 Ca -0.02 0.02 0.08 0.00 2.80 0.00 0.00 57.97 60.85 1dfi h PHE 51 Cb 0.47 -0.15 -0.07 0.00 2.20 0.00 0.00 35.95 38.40 1dfi h PHE 51 CO 0.06 0.26 0.36 0.00 -0.60 0.00 0.00 178.31 178.39 1dfi h ALA 52 N 1.25 0.96 0.07 2.45 0.00 -0.88 -0.96 119.26 122.14 1dfi h ALA 52 Ca 0.21 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1dfi h ALA 52 Cb 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1dfi h ALA 52 CO -0.13 -0.02 -0.11 0.00 0.00 0.00 0.00 179.25 179.00 1dfi h ALA 53 N 1.41 -0.18 -1.08 0.00 0.00 -1.17 0.76 119.26 119.01 1dfi h ALA 53 Ca 0.34 -0.02 0.29 0.00 0.00 0.00 0.00 54.91 55.52 1dfi h ALA 53 Cb 0.32 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.18 1dfi h ALA 53 CO -0.24 -0.62 0.69 1.96 0.00 0.00 0.00 179.25 181.04 1dfi h GLN 54 N -0.22 0.33 -0.67 0.00 4.20 -0.77 1.35 115.11 119.34 1dfi h GLN 54 Ca 0.02 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1dfi h GLN 54 Cb 0.23 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1dfi h GLN 54 CO -0.06 0.22 0.03 1.28 -0.67 0.00 0.00 178.83 179.64 1dfi n LEU 55 N -4.63 5.10 -1.26 1.46 4.77 -0.12 -4.91 117.00 117.42 1dfi n LEU 55 Ca 0.27 -2.60 -0.12 0.00 -0.03 0.00 0.00 56.01 53.53 1dfi n LEU 55 Cb 0.95 -0.67 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1dfi n LEU 55 CO 0.25 0.59 -0.14 0.61 -1.33 0.00 0.00 177.39 177.37 1dfi n GLY 56 N 0.44 0.24 3.35 -0.72 0.00 0.46 -4.78 105.19 104.19 1dfi n GLY 56 Ca 0.25 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.56 3.14 -0.02 1.61 0.15 0.25 -4.89 113.70 111.37 1dfi s SER 57 Ca 0.00 -0.64 0.12 0.00 0.70 0.00 0.00 55.95 56.13 1dfi s SER 57 Cb 0.00 -0.25 -0.19 0.00 -1.71 0.00 0.00 66.02 63.87 1dfi s SER 57 CO 0.00 0.22 0.26 -0.67 1.20 0.00 0.00 173.24 174.24 1dfi n ASP 58 N 1.48 2.19 -4.51 5.45 2.03 -1.26 -2.99 116.55 118.93 1dfi n ASP 58 Ca -0.17 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.72 1dfi n ASP 58 Cb 0.52 1.51 -0.03 0.00 -0.72 0.00 0.00 41.12 42.40 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 -2.82 4.07 -0.22 5.18 1.01 -1.26 -4.98 121.20 122.18 1dfi s ILE 59 Ca -0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 60.65 60.33 1dfi s ILE 59 Cb 0.08 -4.84 0.07 0.00 0.01 0.00 0.00 42.46 37.77 1dfi s ILE 59 CO 0.51 -1.69 0.02 -0.69 0.00 0.00 0.00 174.94 173.09 1dfi s VAL 60 N 4.70 0.87 -0.00 2.92 1.01 -1.26 -0.38 120.40 128.26 1dfi s VAL 60 Ca 0.32 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.50 1dfi s VAL 60 Cb -0.10 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 1dfi s VAL 60 CO 0.07 -0.25 -0.26 -0.76 0.00 0.00 0.00 175.10 173.90 1dfi s LEU 61 N 1.69 2.11 0.19 3.92 1.43 0.06 -4.99 118.68 123.08 1dfi s LEU 61 Ca -0.01 -0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 52.30 1dfi s LEU 61 Cb -0.18 -1.33 -0.08 0.00 0.03 0.00 0.00 46.19 44.63 1dfi s LEU 61 CO -0.10 0.30 0.94 -1.58 0.23 0.00 0.00 176.35 176.14 1dfi s GLN 62 N -0.81 4.79 -0.18 1.70 0.74 -1.26 -0.28 119.66 124.37 1dfi s GLN 62 Ca 0.11 1.46 -0.08 0.00 0.05 0.00 0.00 55.36 56.90 1dfi s GLN 62 Cb -0.10 -3.31 0.07 0.00 1.10 0.00 0.00 33.01 30.77 1dfi s GLN 62 CO 0.00 0.42 0.40 0.00 -0.55 0.00 0.00 175.29 175.56 1dfi s ASP 64 N 2.06 5.27 0.13 0.00 -1.08 -1.26 -3.89 116.67 117.91 1dfi s ASP 64 Ca -0.05 -1.27 0.19 0.00 -0.52 0.00 0.00 52.55 50.90 1dfi s ASP 64 Cb -0.10 -1.85 0.80 0.00 -1.46 0.00 0.00 42.92 40.31 1dfi s ASP 64 CO -0.12 -0.36 1.59 1.33 0.52 0.00 0.00 175.17 178.13 1dfi n VAL 65 N 4.77 0.92 0.25 1.11 0.24 -1.26 -1.93 118.33 122.43 1dfi n VAL 65 Ca -0.11 0.24 0.12 0.00 -2.04 0.00 0.00 64.34 62.54 1dfi n VAL 65 Cb 0.44 -1.09 0.63 0.00 -1.47 0.00 0.00 33.84 32.35 1dfi n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1dfi h ALA 66 N 2.37 1.17 -3.06 2.33 0.00 -1.94 -3.42 119.26 116.72 1dfi h ALA 66 Ca 0.00 -0.15 -0.66 0.00 0.00 0.00 0.00 54.91 54.10 1dfi h ALA 66 Cb 0.31 -0.03 -0.29 0.00 0.00 0.00 0.00 17.79 17.78 1dfi h ALA 66 CO 0.00 0.20 -0.75 -1.21 0.00 0.00 0.00 179.25 177.49 1dfi s GLU 67 N -3.98 3.32 0.49 0.00 0.41 -0.81 -5.00 118.70 113.13 1dfi s GLU 67 Ca -0.02 -0.66 0.16 0.00 -0.41 0.00 0.00 54.97 54.04 1dfi s GLU 67 Cb 0.12 -2.88 1.19 0.00 -1.78 0.00 0.00 34.13 30.78 1dfi s GLU 67 CO 0.60 -0.12 2.07 -0.44 -0.49 0.00 0.00 175.26 176.88 1dfi h ASP 68 N 7.83 0.14 0.03 -0.19 3.32 -1.84 -2.42 116.42 123.29 1dfi h ASP 68 Ca -0.40 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.65 1dfi h ASP 68 Cb 1.17 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1dfi h ASP 68 CO 0.60 0.09 -0.01 0.00 -1.72 0.00 0.00 179.24 178.20 1dfi h ALA 69 N 1.85 -0.04 -0.97 3.45 0.00 -1.94 -1.10 119.26 120.51 1dfi h ALA 69 Ca 0.13 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 55.04 1dfi h ALA 69 Cb 0.30 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.01 1dfi h ALA 69 CO -0.02 -0.38 0.58 1.03 0.00 0.00 0.00 179.25 180.46 1dfi h SER 70 N -0.32 0.78 0.31 0.00 0.87 -1.71 0.31 113.55 113.79 1dfi h SER 70 Ca -0.00 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1dfi h SER 70 Cb 0.30 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1dfi h SER 70 CO 0.01 0.34 -0.15 0.40 -0.53 0.00 0.00 176.83 176.90 1dfi h ILE 71 N 0.82 0.69 -0.68 2.23 2.04 -1.24 -1.93 117.51 119.45 1dfi h ILE 71 Ca 0.52 -0.57 0.08 0.00 1.00 0.00 0.00 64.86 65.89 1dfi h ILE 71 Cb 0.69 0.98 -0.06 0.00 -0.74 0.00 0.00 36.82 37.69 1dfi h ILE 71 CO -0.33 0.11 0.35 0.44 0.00 0.00 0.00 178.15 178.71 1dfi h ASP 72 N -0.74 0.47 0.46 1.72 3.32 -0.15 -2.07 116.42 119.42 1dfi h ASP 72 Ca -0.04 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1dfi h ASP 72 Cb 0.50 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1dfi h ASP 72 CO 0.07 0.29 -0.44 0.74 -1.72 0.00 0.00 179.24 178.17 1dfi h THR 73 N 0.61 0.12 -0.84 0.35 2.02 -0.42 -1.45 112.91 113.30 1dfi h THR 73 Ca 0.32 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.67 1dfi h THR 73 Cb 0.29 0.12 -0.10 0.00 -1.74 0.00 0.00 68.15 66.72 1dfi h THR 73 CO -0.24 0.00 0.40 -0.03 0.37 0.00 0.00 175.52 176.02 1dfi h MET 74 N -0.91 0.51 0.00 6.66 1.85 -0.92 0.14 114.93 122.25 1dfi h MET 74 Ca -0.05 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.01 1dfi h MET 74 Cb 0.80 -0.11 0.00 0.00 0.43 0.00 0.00 31.60 32.71 1dfi h MET 74 CO -0.06 0.34 0.00 0.74 -0.40 0.00 0.00 176.91 177.53 1dfi h PHE 75 N 0.52 0.00 -0.02 1.39 0.04 -1.19 0.57 116.94 118.25 1dfi h PHE 75 Ca 0.48 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.20 1dfi h PHE 75 Cb 0.77 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.92 1dfi h PHE 75 CO -0.12 0.00 -0.19 0.00 -0.60 0.00 0.00 178.31 177.40 1dfi h ALA 76 N 2.11 0.06 0.21 2.45 0.00 0.29 -1.17 119.26 123.21 1dfi h ALA 76 Ca 0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1dfi h ALA 76 Cb 0.84 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1dfi h ALA 76 CO 0.00 0.04 -0.17 1.49 0.00 0.00 0.00 179.25 180.60 1dfi h GLU 77 N -0.44 -0.39 -0.86 0.00 4.81 -0.91 -2.72 114.58 114.07 1dfi h GLU 77 Ca -0.02 0.03 0.18 0.00 -0.13 0.00 0.00 59.36 59.41 1dfi h GLU 77 Cb 0.88 0.09 -0.11 0.00 0.63 0.00 0.00 28.75 30.25 1dfi h GLU 77 CO 0.04 -0.26 0.41 1.25 -0.73 0.00 0.00 179.01 179.73 1dfi h LEU 78 N -0.40 0.44 -1.64 1.64 5.85 -0.77 0.56 115.31 120.98 1dfi h LEU 78 Ca -0.01 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1dfi h LEU 78 Cb 0.36 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1dfi h LEU 78 CO -0.02 0.13 0.00 1.23 -0.34 0.00 0.00 178.44 179.44 1dfi h GLY 79 N 0.53 0.00 1.61 3.75 0.00 -0.88 0.38 103.07 108.46 1dfi h GLY 79 Ca 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.69 1dfi h GLY 79 CO -0.43 0.00 -0.51 0.50 0.00 0.00 0.00 176.54 176.10 1dfi h LYS 80 N 0.00 0.42 0.02 4.80 6.56 -0.85 -3.10 116.57 124.42 1dfi h LYS 80 Ca 0.00 -0.24 -0.39 0.00 -1.06 0.00 0.00 60.65 58.95 1dfi h LYS 80 Cb 0.06 0.02 -0.06 0.00 -0.57 0.00 0.00 32.23 31.68 1dfi h LYS 80 CO 0.00 0.83 -2.30 0.28 -2.06 0.00 0.00 179.45 176.19 1dfi n VAL 81 N -3.96 1.55 -3.82 0.50 0.31 -0.31 -4.79 118.33 107.81 1dfi n VAL 81 Ca -0.02 -0.48 -0.30 0.00 -0.01 0.00 0.00 64.34 63.53 1dfi n VAL 81 Cb 0.57 -1.67 -0.14 0.00 -0.91 0.00 0.00 33.84 31.69 1dfi n VAL 81 CO 0.00 0.00 0.00 0.26 -1.32 0.00 0.00 176.83 175.77 1dfi s TRP 82 N -2.51 2.49 0.17 3.52 0.51 0.12 -4.93 118.94 118.31 1dfi s TRP 82 Ca -0.33 -2.64 0.27 0.00 -2.12 0.00 0.00 56.10 51.28 1dfi s TRP 82 Cb 0.10 -2.26 1.14 0.00 -0.81 0.00 0.00 33.47 31.64 1dfi s TRP 82 CO 0.60 -0.79 1.91 -1.35 -0.51 0.00 0.00 176.95 176.80 1dfi h PRO 83 N 6.88 0.00 -3.69 4.98 0.10 -1.74 -3.31 132.00 135.21 1dfi h PRO 83 Ca -0.05 0.00 -0.21 0.00 0.10 0.00 0.00 66.00 65.84 1dfi h PRO 83 Cb 0.93 0.00 -0.27 0.00 0.10 0.00 0.00 31.00 31.77 1dfi h PRO 83 CO 0.55 0.15 -0.68 0.15 0.10 0.00 0.00 178.00 178.26 1dfi s LYS 84 N -3.74 0.07 0.36 1.05 -0.14 -1.26 -4.64 119.74 111.44 1dfi s LYS 84 Ca 0.00 -0.04 -0.02 0.00 -1.36 0.00 0.00 55.97 54.55 1dfi s LYS 84 Cb 0.10 0.03 0.01 0.00 -1.68 0.00 0.00 37.83 36.29 1dfi s LYS 84 CO 0.60 -0.01 0.50 -0.59 -0.76 0.00 0.00 175.35 175.08 1dfi s PHE 85 N -0.18 1.08 -0.16 3.18 -0.71 0.45 -4.98 117.98 116.65 1dfi s PHE 85 Ca -0.02 -1.31 0.17 0.00 -1.04 0.00 0.00 56.93 54.73 1dfi s PHE 85 Cb -0.01 -0.06 0.44 0.00 -1.21 0.00 0.00 43.02 42.18 1dfi s PHE 85 CO -0.00 -1.17 1.32 -0.25 -1.34 0.00 0.00 175.22 173.78 1dfi n ASP 86 N -1.51 3.27 0.00 1.98 8.00 0.05 -1.08 116.55 127.26 1dfi n ASP 86 Ca 0.01 -3.07 0.00 0.00 0.71 0.00 0.00 54.79 52.44 1dfi n ASP 86 Cb 0.61 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 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 -0.87 0.85 3.32 0.44 0.00 -1.24 -1.87 105.19 105.81 1dfi n GLY 87 Ca 0.20 -2.10 -0.11 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 -1.05 -0.23 -0.19 1.61 -0.12 -1.16 -1.75 117.98 115.09 1dfi s PHE 88 Ca 0.00 -0.05 -0.04 0.00 -0.05 0.00 0.00 56.93 56.79 1dfi s PHE 88 Cb 0.00 0.27 -0.02 0.00 -0.63 0.00 0.00 43.02 42.64 1dfi s PHE 88 CO 0.00 -0.69 -0.04 0.08 -0.05 0.00 0.00 175.22 174.52 1dfi s VAL 89 N -3.63 3.57 -0.46 -2.49 1.01 0.13 -1.76 120.40 116.76 1dfi s VAL 89 Ca 0.02 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.43 1dfi s VAL 89 Cb 0.01 -2.60 0.09 0.00 0.00 0.00 0.00 36.38 33.89 1dfi s VAL 89 CO -0.11 0.45 0.35 -2.28 0.00 0.00 0.00 175.10 173.50 1dfi s HIS 90 N 1.05 3.31 -0.56 5.22 2.46 0.55 -3.01 115.29 124.32 1dfi s HIS 90 Ca 0.01 -1.38 0.06 0.00 0.47 0.00 0.00 55.06 54.22 1dfi s HIS 90 Cb -0.15 -3.23 0.32 0.00 -0.13 0.00 0.00 32.58 29.40 1dfi s HIS 90 CO 0.00 -0.88 0.87 0.45 -2.47 0.00 0.00 174.74 172.71 1dfi n SER 91 N 5.04 3.77 -3.97 9.88 2.88 -1.26 -3.08 113.62 126.89 1dfi n SER 91 Ca -0.11 -3.53 -0.22 0.00 -1.33 0.00 0.00 58.87 53.68 1dfi n SER 91 Cb 0.42 -0.59 -0.16 0.00 -0.75 0.00 0.00 64.21 63.13 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 -3.75 0.86 -0.07 2.46 1.01 -1.26 -4.30 121.20 116.15 1dfi s ILE 92 Ca 0.46 -0.33 -0.20 0.00 0.00 0.00 0.00 60.65 60.57 1dfi s ILE 92 Cb 0.26 -0.81 0.04 0.00 0.01 0.00 0.00 42.46 41.96 1dfi s ILE 92 CO -0.11 0.29 0.47 -0.83 0.00 0.00 0.00 174.94 174.76 1dfi s GLY 93 N 0.67 -0.34 -0.22 6.18 0.00 -1.26 -4.59 107.32 107.76 1dfi s GLY 93 Ca -0.12 0.90 -0.27 0.00 0.00 0.00 0.00 44.72 45.23 1dfi s GLY 93 CO 0.02 0.65 0.81 -0.12 0.00 0.00 0.00 173.10 174.46 1dfi s PHE 94 N -0.88 -0.65 -0.14 1.90 5.36 -1.26 -4.96 117.98 117.35 1dfi s PHE 94 Ca -0.09 1.47 -0.14 0.00 -0.96 0.00 0.00 56.93 57.21 1dfi s PHE 94 Cb -0.03 0.34 0.04 0.00 -0.34 0.00 0.00 43.02 43.02 1dfi s PHE 94 CO 0.05 -0.38 0.39 0.00 -1.46 0.00 0.00 175.22 173.82 1dfi s ALA 95 N -0.10 -0.97 0.16 11.12 0.00 -1.26 -3.89 121.76 126.83 1dfi s ALA 95 Ca -0.02 1.09 -0.34 0.00 0.00 0.00 0.00 51.96 52.70 1dfi s ALA 95 Cb -0.04 -0.63 -0.14 0.00 0.00 0.00 0.00 23.12 22.31 1dfi s ALA 95 CO 0.01 -0.19 1.48 -2.30 0.00 0.00 0.00 175.76 174.76 1dfi n PRO 96 N 2.84 1.89 0.28 0.00 -0.02 -1.26 -4.81 135.00 133.92 1dfi n PRO 96 Ca -0.13 0.68 0.16 0.00 -2.02 0.00 0.00 63.50 62.19 1dfi n PRO 96 Cb 0.57 -2.39 0.80 0.00 -0.02 0.00 0.00 33.50 32.46 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 5.18 0.00 1.22 -1.23 0.00 -2.00 -0.15 103.07 106.09 1dfi h GLY 97 Ca -0.45 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.80 1dfi h GLY 97 CO 0.83 0.00 0.04 1.29 0.00 0.00 0.00 176.54 178.70 1dfi h ASP 98 N 0.00 0.91 0.37 0.19 3.04 -1.97 -2.46 116.42 116.49 1dfi h ASP 98 Ca 0.05 -0.22 0.00 0.00 -3.24 0.00 0.00 57.03 53.61 1dfi h ASP 98 Cb 0.76 -0.24 0.00 0.00 -1.04 0.00 0.00 39.33 38.81 1dfi h ASP 98 CO -0.00 0.95 0.00 0.00 -2.04 0.00 0.00 179.24 178.15 1dfi n GLN 99 N -4.21 0.16 -1.02 4.15 1.13 -0.07 -3.21 117.38 114.31 1dfi n GLN 99 Ca 0.03 0.53 -0.13 0.00 -1.94 0.00 0.00 57.00 55.49 1dfi n GLN 99 Cb 0.30 -1.91 0.21 0.00 0.11 0.00 0.00 30.24 28.96 1dfi n GLN 99 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1dfi n LEU 100 N -2.23 5.69 -3.72 1.08 4.77 -0.93 -4.43 117.00 117.22 1dfi n LEU 100 Ca 0.00 -3.56 -0.12 0.00 -0.03 0.00 0.00 56.01 52.31 1dfi n LEU 100 Cb 0.13 -0.75 -0.12 0.00 -2.33 0.00 0.00 43.42 40.35 1dfi n LEU 100 CO 0.15 1.05 -0.05 -0.62 -1.33 0.00 0.00 177.39 176.58 1dfi s ASP 101 N -1.66 -0.36 0.00 -1.43 2.15 -1.20 -4.72 116.67 109.46 1dfi s ASP 101 Ca 0.52 0.66 0.00 0.00 0.43 0.00 0.00 52.55 54.16 1dfi s ASP 101 Cb 0.44 0.55 0.00 0.00 -0.30 0.00 0.00 42.92 43.62 1dfi s ASP 101 CO 0.08 -0.17 0.00 0.61 -0.17 0.00 0.00 175.17 175.52 1dfi n GLY 102 N 4.13 -2.43 3.69 2.66 0.00 -1.26 -4.83 105.19 107.15 1dfi n GLY 102 Ca -0.24 -1.72 -0.58 0.00 0.00 0.00 0.00 46.02 43.49 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 0.10 2.09 -0.09 1.61 -0.08 -1.26 -4.49 116.55 114.43 1dfi n ASP 103 Ca 0.00 1.10 -0.06 0.00 -1.51 0.00 0.00 54.79 54.31 1dfi n ASP 103 Cb 0.00 -1.11 0.01 0.00 2.34 0.00 0.00 41.12 42.36 1dfi n ASP 103 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1dfi h TYR 104 N 6.48 0.08 -0.85 -0.67 3.20 -1.94 0.39 116.97 123.66 1dfi h TYR 104 Ca -0.46 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.41 1dfi h TYR 104 Cb 1.33 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 39.57 1dfi h TYR 104 CO 0.73 -0.00 0.47 0.28 -1.64 0.00 0.00 178.16 178.00 1dfi h VAL 105 N 0.16 1.25 -0.17 1.81 2.07 -1.95 -0.70 116.25 118.71 1dfi h VAL 105 Ca 0.16 -0.60 -0.19 0.00 0.82 0.00 0.00 66.70 66.89 1dfi h VAL 105 Cb 0.19 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1dfi h VAL 105 CO -0.22 0.27 -0.66 0.78 0.02 0.00 0.00 177.57 177.76 1dfi h ASN 106 N 1.19 0.76 -0.14 0.57 2.35 -1.88 -3.33 115.58 115.09 1dfi h ASN 106 Ca 0.30 -0.46 -0.23 0.00 -0.55 0.00 0.00 56.30 55.37 1dfi h ASN 106 Cb 0.01 -0.22 0.01 0.00 0.05 0.00 0.00 38.32 38.17 1dfi h ASN 106 CO -0.05 1.22 -0.80 0.00 -1.65 0.00 0.00 177.43 176.16 1dfi h ALA 107 N 0.78 0.30 -2.92 -0.83 0.00 -0.48 -3.47 119.26 112.64 1dfi h ALA 107 Ca -0.02 -0.61 -0.53 0.00 0.00 0.00 0.00 54.91 53.75 1dfi h ALA 107 Cb 1.25 -0.01 0.10 0.00 0.00 0.00 0.00 17.79 19.13 1dfi h ALA 107 CO 0.13 0.68 0.70 0.54 0.00 0.00 0.00 179.25 181.30 1dfi s VAL 108 N -3.73 2.32 0.10 0.00 0.11 -0.31 -4.68 120.40 114.20 1dfi s VAL 108 Ca -0.10 0.30 0.02 0.00 -2.93 0.00 0.00 61.98 59.27 1dfi s VAL 108 Cb 0.09 -3.19 -0.04 0.00 -1.53 0.00 0.00 36.38 31.71 1dfi s VAL 108 CO 0.91 0.06 -0.06 0.42 -3.33 0.00 0.00 175.10 173.10 1dfi s THR 109 N -1.17 0.66 0.37 5.04 -4.23 -1.26 -5.02 115.64 110.03 1dfi s THR 109 Ca 0.54 -1.93 0.05 0.00 -1.18 0.00 0.00 61.69 59.18 1dfi s THR 109 Cb -0.43 -1.69 0.22 0.00 1.34 0.00 0.00 72.50 71.94 1dfi s THR 109 CO 0.57 -0.86 1.97 -0.09 -0.54 0.00 0.00 174.62 175.67 1dfi h ARG 110 N 2.96 0.56 0.20 3.99 2.43 -1.98 0.31 114.38 122.86 1dfi h ARG 110 Ca -0.35 -0.07 -0.29 0.00 -0.81 0.00 0.00 59.98 58.45 1dfi h ARG 110 Cb 1.17 -0.11 0.03 0.00 -0.42 0.00 0.00 29.97 30.63 1dfi h ARG 110 CO 0.65 0.46 -1.35 0.93 -1.51 0.00 0.00 179.97 179.15 1dfi h GLU 111 N 0.56 0.43 -0.79 0.20 4.39 -1.98 -1.73 114.58 115.66 1dfi h GLU 111 Ca 0.14 -0.73 0.04 0.00 0.34 0.00 0.00 59.36 59.15 1dfi h GLU 111 Cb 0.11 0.27 -0.05 0.00 -0.10 0.00 0.00 28.75 28.98 1dfi h GLU 111 CO -0.01 1.35 0.49 0.78 -1.16 0.00 0.00 179.01 180.46 1dfi h GLY 112 N 0.08 1.15 1.00 -3.84 0.00 -1.93 0.11 103.07 99.64 1dfi h GLY 112 Ca -0.25 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 1dfi h GLY 112 CO 0.21 0.30 0.27 -2.75 0.00 0.00 0.00 176.54 174.57 1dfi h PHE 113 N 0.95 0.94 -0.11 5.60 3.04 -0.40 -2.30 116.94 124.65 1dfi h PHE 113 Ca 0.32 -0.06 -0.00 0.00 3.98 0.00 0.00 57.97 62.21 1dfi h PHE 113 Cb 0.06 -0.28 -0.00 0.00 2.56 0.00 0.00 35.95 38.28 1dfi h PHE 113 CO -0.03 0.73 0.05 -0.22 -2.02 0.00 0.00 178.31 176.81 1dfi h LYS 114 N 0.87 0.16 -0.19 1.11 3.64 0.01 -2.57 116.57 119.61 1dfi h LYS 114 Ca 0.21 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1dfi h LYS 114 Cb 0.17 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1dfi h LYS 114 CO -0.02 0.25 -0.02 0.82 -2.27 0.00 0.00 179.45 178.20 1dfi h ILE 115 N 0.04 1.27 0.07 2.00 2.04 -0.81 -1.07 117.51 121.05 1dfi h ILE 115 Ca 0.04 -0.93 0.02 0.00 1.00 0.00 0.00 64.86 64.99 1dfi h ILE 115 Cb 0.14 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 1dfi h ILE 115 CO -0.00 0.28 -0.29 0.00 0.00 0.00 0.00 178.15 178.14 1dfi h ALA 116 N 0.76 -0.46 -0.80 1.87 0.00 -1.47 0.17 119.26 119.33 1dfi h ALA 116 Ca 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1dfi h ALA 116 Cb 0.43 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1dfi h ALA 116 CO 0.01 -0.81 0.42 0.45 0.00 0.00 0.00 179.25 179.32 1dfi h HIS 117 N -0.48 1.13 0.20 0.00 3.86 -1.42 0.16 115.15 118.60 1dfi h HIS 117 Ca 0.04 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1dfi h HIS 117 Cb 0.53 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1dfi h HIS 117 CO -0.28 0.80 -0.10 0.22 0.86 0.00 0.00 177.93 179.43 1dfi h ASP 118 N 1.13 -0.23 -0.05 2.45 3.58 -0.81 -1.22 116.42 121.28 1dfi h ASP 118 Ca 0.28 -0.19 -0.03 0.00 0.42 0.00 0.00 57.03 57.51 1dfi h ASP 118 Cb 0.07 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.18 1dfi h ASP 118 CO -0.04 0.07 -0.10 0.40 -2.88 0.00 0.00 179.24 176.69 1dfi h ILE 119 N -0.54 1.43 0.00 2.25 1.08 -0.67 -2.48 117.51 118.59 1dfi h ILE 119 Ca -0.03 -1.44 -0.06 0.00 -0.39 0.00 0.00 64.86 62.94 1dfi h ILE 119 Cb 0.40 2.28 -0.01 0.00 -3.07 0.00 0.00 36.82 36.42 1dfi h ILE 119 CO 0.05 0.39 -0.30 0.28 -0.69 0.00 0.00 178.15 177.88 1dfi h SER 120 N -0.38 0.00 0.00 1.72 0.02 -0.78 -3.37 113.55 110.76 1dfi h SER 120 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1dfi h SER 120 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1dfi h SER 120 CO 0.02 0.30 -0.70 -0.24 -1.14 0.00 0.00 176.83 175.07 1dfi n SER 121 N -3.33 0.19 -0.31 3.07 2.88 -0.53 -4.82 113.62 110.76 1dfi n SER 121 Ca 0.01 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.51 1dfi n SER 121 Cb 0.53 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.07 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 0.00 1.16 -1.07 0.66 3.20 -1.13 -2.81 116.97 116.98 1dfi h TYR 122 Ca 0.00 -0.03 0.29 0.00 3.14 0.00 0.00 58.73 62.14 1dfi h TYR 122 Cb 0.70 -0.37 -0.07 0.00 1.54 0.00 0.00 36.73 38.53 1dfi h TYR 122 CO 0.00 0.80 0.73 0.66 -1.64 0.00 0.00 178.16 178.71 1dfi h SER 123 N 1.18 0.22 0.33 -2.11 4.64 -1.62 0.88 113.55 117.08 1dfi h SER 123 Ca 0.30 0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.64 1dfi h SER 123 Cb 0.02 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1dfi h SER 123 CO -0.05 0.04 -0.16 0.15 -0.87 0.00 0.00 176.83 175.95 1dfi h PHE 124 N 0.20 -0.41 0.00 4.77 3.57 -1.79 -0.15 116.94 123.13 1dfi h PHE 124 Ca 0.55 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.96 1dfi h PHE 124 Cb 1.80 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 40.66 1dfi h PHE 124 CO -0.00 -0.20 -0.40 -0.24 -2.23 0.00 0.00 178.31 175.24 1dfi h VAL 125 N -0.53 0.97 -0.24 1.41 3.04 -1.03 -2.28 116.25 117.59 1dfi h VAL 125 Ca -0.05 -1.55 -0.01 0.00 -1.01 0.00 0.00 66.70 64.09 1dfi h VAL 125 Cb 0.40 1.92 -0.01 0.00 -2.01 0.00 0.00 31.29 31.58 1dfi h VAL 125 CO 0.07 0.39 0.10 0.00 -1.01 0.00 0.00 177.57 177.12 1dfi h ALA 126 N 1.60 0.31 -0.47 3.17 0.00 -0.74 0.46 119.26 123.60 1dfi h ALA 126 Ca -0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1dfi h ALA 126 Cb 0.89 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1dfi h ALA 126 CO 0.05 -0.10 0.29 0.52 0.00 0.00 0.00 179.25 180.01 1dfi h MET 127 N 0.24 0.63 -0.59 0.00 2.07 -0.90 -1.93 114.93 114.44 1dfi h MET 127 Ca 0.08 -0.05 -0.06 0.00 -2.07 0.00 0.00 59.70 57.59 1dfi h MET 127 Cb 0.17 -0.13 -0.03 0.00 -1.87 0.00 0.00 31.60 29.74 1dfi h MET 127 CO -0.01 0.45 0.11 0.00 1.07 0.00 0.00 176.91 178.54 1dfi h ALA 128 N 1.14 1.09 -0.49 6.32 0.00 -0.83 -2.70 119.26 123.78 1dfi h ALA 128 Ca 0.17 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1dfi h ALA 128 Cb -0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1dfi h ALA 128 CO -0.03 0.60 0.27 -0.22 0.00 0.00 0.00 179.25 179.87 1dfi h LYS 129 N 0.89 0.52 0.00 0.00 3.64 0.26 -2.59 116.57 119.29 1dfi h LYS 129 Ca 0.19 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1dfi h LYS 129 Cb 0.36 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1dfi h LYS 129 CO 0.01 0.34 -0.19 0.00 -2.27 0.00 0.00 179.45 177.34 1dfi h ALA 130 N 1.24 1.03 -0.16 5.00 0.00 -1.04 -3.30 119.26 122.03 1dfi h ALA 130 Ca 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1dfi h ALA 130 Cb 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1dfi h ALA 130 CO -0.12 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.36 1dfi h ARG 132 N 0.98 0.24 0.00 0.00 2.43 -1.54 0.21 114.38 116.69 1dfi h ARG 132 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1dfi h ARG 132 Cb 0.70 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1dfi h ARG 132 CO 0.02 0.16 0.00 -1.13 -1.51 0.00 0.00 179.97 177.50 1dfi n SER 133 N -5.18 0.25 -0.36 -3.80 3.41 -1.26 -3.18 113.62 103.50 1dfi n SER 133 Ca 0.16 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.43 1dfi n SER 133 Cb 0.50 -0.60 0.34 0.00 -0.26 0.00 0.00 64.21 64.20 1dfi n SER 133 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1dfi n MET 134 N -1.75 1.11 -3.33 4.33 2.81 0.05 -4.92 117.12 115.43 1dfi n MET 134 Ca 0.05 -0.71 -0.38 0.00 -1.81 0.00 0.00 57.70 54.84 1dfi n MET 134 Cb 0.29 -1.49 -0.06 0.00 -0.71 0.00 0.00 33.22 31.26 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 -2.38 4.46 0.40 4.03 1.43 -1.17 -0.41 118.68 125.04 1dfi s LEU 135 Ca 0.26 1.09 -0.15 0.00 -1.03 0.00 0.00 54.13 54.31 1dfi s LEU 135 Cb 0.19 -2.78 -0.08 0.00 0.03 0.00 0.00 46.19 43.55 1dfi s LEU 135 CO 0.48 0.22 0.83 0.20 0.23 0.00 0.00 176.35 178.31 1dfi s ASN 136 N -0.68 6.69 0.36 2.29 0.01 -0.24 -4.89 114.94 118.48 1dfi s ASN 136 Ca 0.27 1.36 -0.27 0.00 -0.71 0.00 0.00 52.86 53.51 1dfi s ASN 136 Cb -0.18 -2.41 -0.12 0.00 0.41 0.00 0.00 41.25 38.95 1dfi s ASN 136 CO 0.16 -0.37 1.24 -2.65 -1.51 0.00 0.00 177.10 173.96 1dfi n PRO 137 N -0.95 1.95 -0.81 -0.60 -0.01 -1.26 -0.89 135.00 132.43 1dfi n PRO 137 Ca 0.04 0.69 0.00 0.00 -0.01 0.00 0.00 63.50 64.22 1dfi n PRO 137 Cb 0.54 -2.27 0.00 0.00 -0.01 0.00 0.00 33.50 31.76 1dfi n PRO 137 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1dfi n GLY 138 N 0.85 0.59 3.76 -1.23 0.00 0.14 -5.03 105.19 104.28 1dfi n GLY 138 Ca 0.06 -0.02 -0.30 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 -2.02 4.14 -0.02 1.61 0.01 -0.07 -4.88 113.70 112.47 1dfi s SER 139 Ca 0.00 1.52 -0.01 0.00 1.31 0.00 0.00 55.95 58.77 1dfi s SER 139 Cb 0.00 -2.24 0.02 0.00 0.21 0.00 0.00 66.02 64.01 1dfi s SER 139 CO 0.00 -2.22 0.05 0.00 0.41 0.00 0.00 173.24 171.48 1dfi s ALA 140 N -3.00 -0.04 0.06 1.44 0.00 -0.78 -1.42 121.76 118.02 1dfi s ALA 140 Ca 0.62 0.27 0.05 0.00 0.00 0.00 0.00 51.96 52.90 1dfi s ALA 140 Cb -0.16 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 1dfi s ALA 140 CO 0.56 -0.08 -0.06 -0.51 0.00 0.00 0.00 175.76 175.68 1dfi s LEU 141 N 0.63 3.22 -0.06 0.00 1.43 0.16 -3.00 118.68 121.06 1dfi s LEU 141 Ca -0.05 -0.23 -0.05 0.00 -1.03 0.00 0.00 54.13 52.77 1dfi s LEU 141 Cb -0.07 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.24 1dfi s LEU 141 CO -0.02 0.22 0.16 -0.22 0.23 0.00 0.00 176.35 176.72 1dfi s LEU 142 N -1.92 1.15 0.41 1.79 2.96 -0.72 -1.99 118.68 120.35 1dfi s LEU 142 Ca 0.21 0.32 0.04 0.00 -0.22 0.00 0.00 54.13 54.48 1dfi s LEU 142 Cb -0.11 0.50 -0.05 0.00 0.50 0.00 0.00 46.19 47.03 1dfi s LEU 142 CO 0.13 -0.09 0.05 0.28 -1.32 0.00 0.00 176.35 175.40 1dfi s THR 143 N 0.46 1.23 -0.10 3.68 -1.32 -0.74 -0.33 115.64 118.52 1dfi s THR 143 Ca -0.03 -2.00 0.03 0.00 -1.21 0.00 0.00 61.69 58.47 1dfi s THR 143 Cb -0.05 -2.58 -0.01 0.00 -1.51 0.00 0.00 72.50 68.35 1dfi s THR 143 CO -0.02 0.00 -0.19 -0.76 -2.21 0.00 0.00 174.62 171.44 1dfi s LEU 144 N -3.66 2.42 0.00 9.08 1.02 -1.18 -1.94 118.68 124.42 1dfi s LEU 144 Ca 0.25 -0.41 0.02 0.00 0.02 0.00 0.00 54.13 54.01 1dfi s LEU 144 Cb 0.06 -1.50 -0.01 0.00 0.02 0.00 0.00 46.19 44.76 1dfi s LEU 144 CO 0.13 0.20 0.06 -0.24 0.02 0.00 0.00 176.35 176.52 1dfi n SER 145 N 3.28 1.55 -3.71 2.29 2.88 0.16 -4.94 113.62 115.13 1dfi n SER 145 Ca -0.18 -2.23 -0.14 0.00 -1.33 0.00 0.00 58.87 54.99 1dfi n SER 145 Cb 0.53 0.48 -0.08 0.00 -0.75 0.00 0.00 64.21 64.39 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 -2.31 -0.27 0.47 0.66 5.04 -1.26 -2.04 117.35 117.64 1dfi s TYR 146 Ca 0.09 0.39 0.26 0.00 -2.44 0.00 0.00 57.07 55.36 1dfi s TYR 146 Cb 0.00 0.16 1.31 0.00 0.35 0.00 0.00 41.96 43.79 1dfi s TYR 146 CO 0.06 -0.46 1.82 1.25 -1.34 0.00 0.00 175.55 176.89 1dfi h LEU 147 N 3.57 0.22 -1.52 6.97 5.85 -1.91 0.25 115.31 128.74 1dfi h LEU 147 Ca -0.29 0.04 0.13 0.00 0.84 0.00 0.00 57.88 58.59 1dfi h LEU 147 Cb 1.18 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 1dfi h LEU 147 CO 0.41 0.05 0.69 1.23 -0.34 0.00 0.00 178.44 180.48 1dfi h GLY 148 N 0.20 0.00 2.00 3.75 0.00 -1.94 0.62 103.07 107.70 1dfi h GLY 148 Ca 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.79 1dfi h GLY 148 CO -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 176.54 176.12 1dfi h ALA 149 N 1.04 1.03 0.00 3.60 0.00 -0.65 -3.35 119.26 120.93 1dfi h ALA 149 Ca 0.21 -0.26 -0.32 0.00 0.00 0.00 0.00 54.91 54.54 1dfi h ALA 149 Cb 1.58 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.26 1dfi h ALA 149 CO -0.00 0.36 -2.19 0.39 0.00 0.00 0.00 179.25 177.81 1dfi n GLU 150 N -3.48 1.13 -4.28 0.00 1.02 0.21 -4.49 120.64 110.75 1dfi n GLU 150 Ca -0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 1dfi n GLU 150 Cb 0.46 -1.44 -0.11 0.00 -0.02 0.00 0.00 31.44 30.33 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 -2.42 1.13 -0.17 3.49 1.81 -0.81 -5.11 118.95 116.86 1dfi s ARG 151 Ca -0.11 -1.37 -0.27 0.00 -1.72 0.00 0.00 55.73 52.26 1dfi s ARG 151 Cb 0.05 -0.96 -0.01 0.00 -0.45 0.00 0.00 34.95 33.58 1dfi s ARG 151 CO 0.69 0.17 0.94 0.00 -0.68 0.00 0.00 175.30 176.42 1dfi s ALA 152 N -2.49 3.54 -0.12 2.13 0.00 -1.26 -4.34 121.76 119.21 1dfi s ALA 152 Ca 0.14 0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.28 1dfi s ALA 152 Cb -0.03 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.72 1dfi s ALA 152 CO 0.04 -0.76 -0.19 0.42 0.00 0.00 0.00 175.76 175.26 1dfi s ILE 153 N 2.44 1.82 0.18 0.00 1.01 -1.26 -5.08 121.20 120.31 1dfi s ILE 153 Ca 0.42 -0.85 -0.32 0.00 0.00 0.00 0.00 60.65 59.91 1dfi s ILE 153 Cb -0.17 -1.62 -0.16 0.00 0.01 0.00 0.00 42.46 40.52 1dfi s ILE 153 CO 0.12 0.50 1.08 -2.65 0.00 0.00 0.00 174.94 173.99 1dfi n PRO 154 N 4.03 0.99 0.00 2.79 -0.02 -1.26 -1.98 135.00 139.55 1dfi n PRO 154 Ca -0.20 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1dfi n PRO 154 Cb 0.52 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 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 1.89 0.00 0.10 2.55 3.02 -1.26 -4.72 115.26 116.84 1dfi n ASN 155 Ca 0.15 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.69 1dfi n ASN 155 Cb 0.24 -0.10 0.27 0.00 -0.61 0.00 0.00 39.78 39.58 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 0.26 0.00 3.10 3.20 -1.68 -3.38 116.97 118.47 1dfi h TYR 156 Ca 0.00 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1dfi h TYR 156 Cb 0.00 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.21 1dfi h TYR 156 CO 0.00 0.54 0.00 0.09 -1.64 0.00 0.00 178.16 177.15 1dfi n ASN 157 N -4.09 0.00 0.31 -2.11 3.02 -1.24 -1.21 115.26 109.93 1dfi n ASN 157 Ca -0.01 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.72 1dfi n ASN 157 Cb 0.42 0.00 0.99 0.00 -0.61 0.00 0.00 39.78 40.58 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 0.28 -0.61 2.41 3.04 -1.88 -0.61 116.25 118.88 1dfi h VAL 158 Ca 0.00 -0.14 -0.05 0.00 -1.01 0.00 0.00 66.70 65.50 1dfi h VAL 158 Cb 0.00 1.10 -0.03 0.00 -2.01 0.00 0.00 31.29 30.36 1dfi h VAL 158 CO 0.00 0.02 0.17 0.24 -1.01 0.00 0.00 177.57 176.99 1dfi h MET 159 N 0.00 0.94 -0.48 4.17 2.86 -1.52 -1.57 114.93 119.33 1dfi h MET 159 Ca -0.00 -0.19 0.09 0.00 -2.06 0.00 0.00 59.70 57.54 1dfi h MET 159 Cb 0.10 -0.14 -0.08 0.00 0.06 0.00 0.00 31.60 31.54 1dfi h MET 159 CO 0.00 0.82 0.03 0.78 1.06 0.00 0.00 176.91 179.60 1dfi h GLY 160 N 1.02 0.52 1.13 8.32 0.00 -1.13 0.23 103.07 113.16 1dfi h GLY 160 Ca 0.20 0.04 -0.07 0.00 0.00 0.00 0.00 47.33 47.50 1dfi h GLY 160 CO -0.01 -0.12 0.15 1.41 0.00 0.00 0.00 176.54 177.98 1dfi h LEU 161 N 0.15 1.02 -0.34 3.11 4.07 -1.51 -1.19 115.31 120.62 1dfi h LEU 161 Ca 0.24 -0.22 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 1dfi h LEU 161 Cb 0.36 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.81 1dfi h LEU 161 CO -0.38 0.98 0.18 0.00 -1.08 0.00 0.00 178.44 178.14 1dfi h ALA 162 N 1.14 0.43 -0.91 1.53 0.00 0.10 -2.22 119.26 119.33 1dfi h ALA 162 Ca 0.21 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1dfi h ALA 162 Cb 0.37 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1dfi h ALA 162 CO 0.00 -0.04 0.59 0.87 0.00 0.00 0.00 179.25 180.68 1dfi h LYS 163 N 0.42 1.20 -0.86 0.00 1.79 -0.46 -0.99 116.57 117.67 1dfi h LYS 163 Ca 0.12 -0.08 -0.03 0.00 -2.18 0.00 0.00 60.65 58.48 1dfi h LYS 163 Cb 0.07 -0.27 -0.04 0.00 -1.58 0.00 0.00 32.23 30.41 1dfi h LYS 163 CO -0.02 0.81 0.43 0.00 -1.08 0.00 0.00 179.45 179.59 1dfi h ALA 164 N 1.32 1.15 -0.83 3.86 0.00 -1.00 -0.23 119.26 123.53 1dfi h ALA 164 Ca 0.33 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1dfi h ALA 164 Cb -0.12 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.29 1dfi h ALA 164 CO -0.07 0.66 0.36 1.03 0.00 0.00 0.00 179.25 181.23 1dfi h SER 165 N 1.21 1.11 0.08 0.00 0.87 -0.80 -2.25 113.55 113.78 1dfi h SER 165 Ca 0.30 -0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1dfi h SER 165 Cb 0.08 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 1dfi h SER 165 CO -0.04 0.96 -0.04 0.25 -0.53 0.00 0.00 176.83 177.43 1dfi h LEU 166 N 1.19 -0.09 -1.60 2.23 6.46 -0.27 -0.02 115.31 123.22 1dfi h LEU 166 Ca 0.28 -0.10 -0.05 0.00 -0.12 0.00 0.00 57.88 57.89 1dfi h LEU 166 Cb 0.17 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.12 1dfi h LEU 166 CO -0.03 0.04 -0.22 -0.33 -0.62 0.00 0.00 178.44 177.29 1dfi h GLU 167 N -0.23 0.00 -0.07 1.25 5.08 -0.97 0.12 114.58 119.77 1dfi h GLU 167 Ca -0.01 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.16 1dfi h GLU 167 Cb 0.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1dfi h GLU 167 CO 0.02 0.22 -0.76 0.00 -1.00 0.00 0.00 179.01 177.49 1dfi h ALA 168 N 1.78 0.56 -0.46 3.43 0.00 -1.21 -2.85 119.26 120.52 1dfi h ALA 168 Ca -0.00 -0.62 0.03 0.00 0.00 0.00 0.00 54.91 54.32 1dfi h ALA 168 Cb 0.41 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1dfi h ALA 168 CO 0.03 0.77 0.24 -0.97 0.00 0.00 0.00 179.25 179.33 1dfi h ASN 169 N 0.26 0.37 -0.21 0.00 -0.73 0.11 -1.39 115.58 114.00 1dfi h ASN 169 Ca -0.04 0.02 0.05 0.00 1.87 0.00 0.00 56.30 58.20 1dfi h ASN 169 Cb 1.34 -0.05 -0.07 0.00 0.27 0.00 0.00 38.32 39.81 1dfi h ASN 169 CO 0.13 0.26 -0.36 0.58 -0.37 0.00 0.00 177.43 177.67 1dfi h VAL 170 N 0.48 0.22 -0.67 2.57 2.07 -0.67 0.51 116.25 120.76 1dfi h VAL 170 Ca 0.19 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.74 1dfi h VAL 170 Cb 0.07 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.02 1dfi h VAL 170 CO -0.12 0.00 0.42 0.03 0.02 0.00 0.00 177.57 177.92 1dfi h ARG 171 N -0.39 0.80 -0.23 1.57 3.08 -1.22 0.16 114.38 118.15 1dfi h ARG 171 Ca 0.11 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 60.00 1dfi h ARG 171 Cb 0.57 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1dfi h ARG 171 CO -0.42 0.53 -0.32 1.88 -1.07 0.00 0.00 179.97 180.57 1dfi h TYR 172 N 0.82 0.54 -0.13 3.04 0.05 -0.86 -1.25 116.97 119.19 1dfi h TYR 172 Ca 0.27 -0.13 -0.11 0.00 0.05 0.00 0.00 58.73 58.80 1dfi h TYR 172 Cb 0.01 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 37.62 1dfi h TYR 172 CO -0.04 0.74 -0.36 0.52 -1.05 0.00 0.00 178.16 177.96 1dfi h MET 173 N 0.40 0.48 -0.84 4.88 2.86 0.63 -2.25 114.93 121.09 1dfi h MET 173 Ca 0.05 -0.34 0.08 0.00 -2.06 0.00 0.00 59.70 57.43 1dfi h MET 173 Cb 0.76 0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.41 1dfi h MET 173 CO 0.06 0.96 0.50 0.00 1.06 0.00 0.00 176.91 179.48 1dfi h ALA 174 N 0.52 1.18 -0.49 6.32 0.00 -0.64 0.25 119.26 126.41 1dfi h ALA 174 Ca -0.01 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1dfi h ALA 174 Cb 0.98 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1dfi h ALA 174 CO 0.08 0.17 0.01 -0.97 0.00 0.00 0.00 179.25 178.53 1dfi h ASN 175 N 0.86 0.85 0.21 0.00 -0.00 -1.19 -2.03 115.58 114.28 1dfi h ASN 175 Ca 0.39 -0.30 -0.24 0.00 -0.00 0.00 0.00 56.30 56.15 1dfi h ASN 175 Cb 0.29 -0.23 0.01 0.00 -0.00 0.00 0.00 38.32 38.39 1dfi h ASN 175 CO -0.22 0.94 -0.96 0.00 -0.00 0.00 0.00 177.43 177.20 1dfi h ALA 176 N 0.93 0.30 -0.00 1.57 0.00 -0.73 -3.35 119.26 117.99 1dfi h ALA 176 Ca 0.14 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1dfi h ALA 176 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1dfi h ALA 176 CO 0.02 0.77 -0.72 -1.33 0.00 0.00 0.00 179.25 178.00 1dfi n MET 177 N -3.79 0.02 -0.31 0.00 2.81 0.82 -4.34 117.12 112.32 1dfi n MET 177 Ca -0.08 -0.01 -0.05 0.00 -1.81 0.00 0.00 57.70 55.75 1dfi n MET 177 Cb 0.84 -1.50 0.08 0.00 -0.71 0.00 0.00 33.22 31.92 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 5.00 1.26 2.00 3.03 0.00 -1.36 -2.43 103.07 110.56 1dfi h GLY 178 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1dfi h GLY 178 CO 0.00 0.56 0.00 -1.05 0.00 0.00 0.00 176.54 176.05 1dfi n PRO 179 N -4.37 0.15 -0.35 4.80 -0.02 -1.26 -0.98 135.00 132.96 1dfi n PRO 179 Ca 0.08 0.58 0.12 0.00 -2.02 0.00 0.00 63.50 62.26 1dfi n PRO 179 Cb 0.11 -1.92 0.31 0.00 -0.02 0.00 0.00 33.50 31.98 1dfi n PRO 179 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1dfi n GLU 180 N -2.21 2.72 -1.22 -0.52 1.02 -1.00 -4.94 120.64 114.49 1dfi n GLU 180 Ca -0.00 -2.62 0.00 0.00 -0.02 0.00 0.00 57.16 54.51 1dfi n GLU 180 Cb 0.08 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1dfi n GLU 180 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dfi n GLY 181 N 1.60 0.45 3.55 0.62 0.00 -0.15 -4.45 105.19 106.81 1dfi n GLY 181 Ca 0.24 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 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 4.19 0.01 1.61 1.01 -0.95 0.25 120.40 124.52 1dfi s VAL 182 Ca 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1dfi s VAL 182 Cb 0.00 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 1dfi s VAL 182 CO 0.00 0.49 0.02 -0.13 0.00 0.00 0.00 175.10 175.47 1dfi s ARG 183 N 0.34 2.82 -0.08 2.72 0.52 -0.50 -3.34 118.95 121.42 1dfi s ARG 183 Ca -0.02 -0.61 -0.02 0.00 -0.52 0.00 0.00 55.73 54.57 1dfi s ARG 183 Cb -0.14 -2.69 0.03 0.00 0.52 0.00 0.00 34.95 32.67 1dfi s ARG 183 CO 0.02 0.62 0.01 0.08 0.02 0.00 0.00 175.30 176.05 1dfi s VAL 184 N -1.13 0.36 0.28 3.52 1.01 -1.26 0.39 120.40 123.58 1dfi s VAL 184 Ca 0.21 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.28 1dfi s VAL 184 Cb -0.12 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1dfi s VAL 184 CO 0.12 0.20 0.18 0.20 0.00 0.00 0.00 175.10 175.80 1dfi s ASN 185 N 1.97 1.20 0.09 3.32 0.01 -0.84 0.69 114.94 121.38 1dfi s ASN 185 Ca 0.04 -1.56 -0.00 0.00 -0.71 0.00 0.00 52.86 50.63 1dfi s ASN 185 Cb -0.13 0.43 -0.04 0.00 0.41 0.00 0.00 41.25 41.92 1dfi s ASN 185 CO -0.06 -0.92 -0.02 0.00 -1.51 0.00 0.00 177.10 174.60 1dfi s ALA 186 N -3.72 0.78 -0.10 0.60 0.00 0.10 -1.79 121.76 117.64 1dfi s ALA 186 Ca 0.38 -1.34 0.03 0.00 0.00 0.00 0.00 51.96 51.03 1dfi s ALA 186 Cb 0.05 0.40 0.01 0.00 0.00 0.00 0.00 23.12 23.58 1dfi s ALA 186 CO 0.19 -0.36 -0.20 0.42 0.00 0.00 0.00 175.76 175.80 1dfi s ILE 187 N -3.85 1.80 -0.51 0.00 1.01 -0.82 -0.83 121.20 118.00 1dfi s ILE 187 Ca 0.14 -0.86 -0.14 0.00 0.00 0.00 0.00 60.65 59.78 1dfi s ILE 187 Cb 0.07 -1.58 0.12 0.00 0.01 0.00 0.00 42.46 41.08 1dfi s ILE 187 CO -0.05 0.50 0.44 -0.55 0.00 0.00 0.00 174.94 175.29 1dfi s SER 188 N 0.53 6.07 0.22 3.58 0.15 -0.01 0.39 113.70 124.62 1dfi s SER 188 Ca -0.16 -1.73 -0.17 0.00 0.70 0.00 0.00 55.95 54.59 1dfi s SER 188 Cb -0.17 -2.16 -0.08 0.00 -1.71 0.00 0.00 66.02 61.90 1dfi s SER 188 CO 0.06 -0.78 0.68 0.00 1.20 0.00 0.00 173.24 174.40 1dfi s ALA 189 N 1.55 3.44 1.08 5.45 0.00 -0.87 -0.81 121.76 131.61 1dfi s ALA 189 Ca 0.04 0.07 -0.17 0.00 0.00 0.00 0.00 51.96 51.90 1dfi s ALA 189 Cb -0.28 -2.74 0.23 0.00 0.00 0.00 0.00 23.12 20.34 1dfi s ALA 189 CO 0.03 0.36 1.15 0.20 0.00 0.00 0.00 175.76 177.50 1dfi s GLY 190 N -1.78 1.62 0.39 0.00 0.00 -0.13 -4.58 107.32 102.83 1dfi s GLY 190 Ca 0.44 -0.85 -0.25 0.00 0.00 0.00 0.00 44.72 44.06 1dfi s GLY 190 CO 0.20 -0.08 1.09 2.56 0.00 0.00 0.00 173.10 176.87 1dfi s PRO 191 N -5.42 4.18 -0.13 2.90 0.04 -1.26 -4.92 135.00 130.39 1dfi s PRO 191 Ca 0.70 1.64 -0.02 0.00 0.04 0.00 0.00 61.00 63.36 1dfi s PRO 191 Cb -0.11 -2.65 -0.02 0.00 0.04 0.00 0.00 34.50 31.76 1dfi s PRO 191 CO 0.55 -0.16 -0.07 0.42 0.04 0.00 0.00 177.00 177.78 1dfi s ILE 192 N -1.53 3.58 0.24 0.56 1.01 -1.26 -4.18 121.20 119.62 1dfi s ILE 192 Ca 0.56 -0.48 -0.05 0.00 0.00 0.00 0.00 60.65 60.68 1dfi s ILE 192 Cb -0.26 -2.53 0.20 0.00 0.01 0.00 0.00 42.46 39.89 1dfi s ILE 192 CO 0.32 0.52 1.80 -0.09 0.00 0.00 0.00 174.94 177.49 1dfi h ARG 193 N 6.44 0.71 0.15 2.79 2.43 -1.93 -1.51 114.38 123.46 1dfi h ARG 193 Ca -0.32 -0.04 -0.22 0.00 -0.81 0.00 0.00 59.98 58.59 1dfi h ARG 193 Cb 1.19 -0.16 0.02 0.00 -0.42 0.00 0.00 29.97 30.61 1dfi h ARG 193 CO 0.59 0.47 -0.94 1.79 -1.51 0.00 0.00 179.97 180.36 1dfi h THR 194 N 0.73 1.46 -0.60 0.20 1.35 -1.95 -3.53 112.91 110.58 1dfi h THR 194 Ca 0.39 -2.54 -0.24 0.00 -0.55 0.00 0.00 66.41 63.46 1dfi h THR 194 Cb 0.38 3.13 -0.14 0.00 -1.73 0.00 0.00 68.15 69.78 1dfi h THR 194 CO -0.26 0.73 0.20 0.00 -0.25 0.00 0.00 175.52 175.95 1dfi n LEU 195 N -4.04 5.26 0.00 3.87 -0.00 -0.57 -5.15 117.00 116.35 1dfi n LEU 195 Ca -0.14 -3.47 0.00 0.00 -0.00 0.00 0.00 56.01 52.40 1dfi n LEU 195 Cb 0.87 -0.70 0.00 0.00 -0.00 0.00 0.00 43.42 43.59 1dfi n LEU 195 CO 0.51 1.00 0.00 0.80 -0.00 0.00 0.00 177.39 179.70 1dfi n MET 206 N -0.77 0.00 0.01 1.47 0.00 -1.26 -4.79 117.12 111.78 1dfi n MET 206 Ca 0.40 0.00 0.08 0.00 0.00 0.00 0.00 57.70 58.18 1dfi n MET 206 Cb 1.26 -0.01 0.49 0.00 0.00 0.00 0.00 33.22 34.96 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 0.35 -1.58 -0.89 4.07 -2.00 0.69 115.31 115.95 1dfi h LEU 207 Ca 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1dfi h LEU 207 Cb 0.00 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.66 1dfi h LEU 207 CO 0.00 0.24 0.00 0.00 -1.08 0.00 0.00 178.44 177.60 1dfi h ALA 208 N 1.77 1.00 0.15 1.53 0.00 -2.04 1.06 119.26 122.72 1dfi h ALA 208 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1dfi h ALA 208 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1dfi h ALA 208 CO -0.04 0.00 -0.07 1.25 0.00 0.00 0.00 179.25 180.39 1dfi h HIS 209 N 0.00 -0.18 -0.57 0.00 -0.00 -0.09 -2.66 115.15 111.64 1dfi h HIS 209 Ca 0.00 -0.00 0.11 0.00 -0.00 0.00 0.00 60.37 60.47 1dfi h HIS 209 Cb 0.29 0.06 -0.08 0.00 -0.00 0.00 0.00 27.41 27.68 1dfi h HIS 209 CO 0.00 0.12 0.11 0.00 -0.00 0.00 0.00 177.93 178.16 1dfi h GLU 211 N 0.24 0.70 -0.59 0.00 5.08 1.00 0.41 114.58 121.41 1dfi h GLU 211 Ca 0.30 -0.16 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 1dfi h GLU 211 Cb 0.43 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1dfi h GLU 211 CO -0.39 0.68 0.39 0.00 -1.00 0.00 0.00 179.01 178.70 1dfi h ALA 212 N 0.98 1.71 0.00 3.43 0.00 -1.03 -3.19 119.26 121.15 1dfi h ALA 212 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1dfi h ALA 212 Cb 0.29 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1dfi h ALA 212 CO -0.00 0.23 -1.18 1.33 0.00 0.00 0.00 179.25 179.62 1dfi n VAL 213 N -4.47 0.00 -2.47 0.00 0.24 -0.32 -4.94 118.33 106.37 1dfi n VAL 213 Ca 0.07 -0.23 -0.42 0.00 -2.04 0.00 0.00 64.34 61.72 1dfi n VAL 213 Cb 0.15 0.62 -0.03 0.00 -1.47 0.00 0.00 33.84 33.11 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 -2.77 4.03 0.27 3.34 2.01 0.14 -4.87 115.64 117.79 1dfi s THR 214 Ca 0.01 1.55 0.00 0.00 0.31 0.00 0.00 61.69 63.56 1dfi s THR 214 Cb 0.11 -3.99 0.27 0.00 0.01 0.00 0.00 72.50 68.90 1dfi s THR 214 CO 0.66 0.17 1.70 -0.65 -0.69 0.00 0.00 174.62 175.82 1dfi h PRO 215 N 6.17 0.36 0.00 4.92 0.11 -1.83 0.40 132.00 142.13 1dfi h PRO 215 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1dfi h PRO 215 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1dfi h PRO 215 CO 0.77 0.24 0.00 0.44 -0.21 0.00 0.00 178.00 179.24 1dfi n ILE 216 N -5.07 0.18 -3.39 4.15 -5.35 -1.21 -4.91 119.36 103.76 1dfi n ILE 216 Ca 0.19 0.04 -0.23 0.00 -0.27 0.00 0.00 62.75 62.48 1dfi n ILE 216 Cb 0.56 -0.64 0.06 0.00 -1.74 0.00 0.00 39.64 37.89 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 -1.23 -6.87 -3.60 6.28 5.12 0.14 -4.98 116.66 111.53 1dfi n ARG 217 Ca 0.13 0.86 -0.10 0.00 -1.93 0.00 0.00 57.85 56.81 1dfi n ARG 217 Cb 0.18 -5.85 -0.02 0.00 -1.16 0.00 0.00 32.46 25.60 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 -6.09 1.46 0.50 5.56 1.70 -1.26 -4.87 118.95 115.95 1dfi s ARG 218 Ca 0.48 -0.68 -0.03 0.00 -0.47 0.00 0.00 55.73 55.03 1dfi s ARG 218 Cb -0.21 0.59 -0.01 0.00 -0.57 0.00 0.00 34.95 34.75 1dfi s ARG 218 CO 0.60 -0.65 0.77 0.95 -1.08 0.00 0.00 175.30 175.89 1dfi s THR 219 N -3.82 4.22 0.64 4.99 -4.23 -1.26 -4.76 115.64 111.42 1dfi s THR 219 Ca 0.05 -0.14 -0.08 0.00 -1.18 0.00 0.00 61.69 60.33 1dfi s THR 219 Cb -0.03 -3.61 0.01 0.00 1.34 0.00 0.00 72.50 70.22 1dfi s THR 219 CO -0.05 -0.53 0.99 0.68 -0.54 0.00 0.00 174.62 175.16 1dfi s VAL 220 N -2.73 3.62 0.30 2.29 -7.23 -1.26 -4.95 120.40 110.45 1dfi s VAL 220 Ca 0.49 0.24 0.10 0.00 -1.81 0.00 0.00 61.98 61.01 1dfi s VAL 220 Cb -0.10 -3.48 -0.05 0.00 0.56 0.00 0.00 36.38 33.31 1dfi s VAL 220 CO 0.42 -0.56 -0.08 0.42 -0.31 0.00 0.00 175.10 174.99 1dfi s THR 221 N -3.16 2.72 0.60 5.32 -4.23 -1.26 -4.26 115.64 111.37 1dfi s THR 221 Ca 0.56 -2.14 0.31 0.00 -1.18 0.00 0.00 61.69 59.23 1dfi s THR 221 Cb -0.11 -2.61 0.37 0.00 1.34 0.00 0.00 72.50 71.49 1dfi s THR 221 CO 0.48 -0.31 2.22 0.40 -0.54 0.00 0.00 174.62 176.87 1dfi h ILE 222 N 2.02 0.44 -0.13 2.99 2.04 -1.95 0.27 117.51 123.18 1dfi h ILE 222 Ca -0.42 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.37 1dfi h ILE 222 Cb 1.25 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1dfi h ILE 222 CO 0.63 0.00 -0.19 -0.33 0.00 0.00 0.00 178.15 178.26 1dfi h GLU 223 N 0.00 0.36 -0.47 2.37 3.07 -1.94 0.56 114.58 118.52 1dfi h GLU 223 Ca 0.02 -0.22 0.00 0.00 -0.50 0.00 0.00 59.36 58.67 1dfi h GLU 223 Cb 0.15 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 1dfi h GLU 223 CO -0.00 0.79 0.30 -0.44 -1.40 0.00 0.00 179.01 178.27 1dfi h ASP 224 N -0.04 0.56 -0.34 1.42 3.32 -0.96 0.44 116.42 120.82 1dfi h ASP 224 Ca 0.01 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 1dfi h ASP 224 Cb 0.76 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1dfi h ASP 224 CO 0.04 0.42 0.01 0.58 -1.72 0.00 0.00 179.24 178.58 1dfi h VAL 225 N 0.64 1.25 -0.76 -1.35 2.07 -0.91 -2.73 116.25 114.46 1dfi h VAL 225 Ca 0.17 -0.94 0.07 0.00 0.82 0.00 0.00 66.70 66.82 1dfi h VAL 225 Cb -0.05 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 1dfi h VAL 225 CO -0.04 0.31 0.44 1.23 0.02 0.00 0.00 177.57 179.54 1dfi h GLY 226 N 0.40 1.15 1.11 2.17 0.00 0.76 -1.21 103.07 107.44 1dfi h GLY 226 Ca 0.10 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 1dfi h GLY 226 CO 0.02 0.18 0.17 3.43 0.00 0.00 0.00 176.54 180.34 1dfi h ASN 227 N 0.79 1.05 -0.40 0.19 2.35 -0.78 -1.17 115.58 117.60 1dfi h ASN 227 Ca 0.35 -0.22 -0.11 0.00 -0.55 0.00 0.00 56.30 55.77 1dfi h ASN 227 Cb 0.23 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1dfi h ASN 227 CO -0.20 1.00 -0.16 0.28 -1.65 0.00 0.00 177.43 176.70 1dfi h SER 228 N 1.05 0.84 -0.88 5.81 0.02 -1.21 -2.24 113.55 116.94 1dfi h SER 228 Ca 0.22 -0.39 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 1dfi h SER 228 Cb 0.36 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 1dfi h SER 228 CO 0.00 1.04 0.48 0.00 -1.14 0.00 0.00 176.83 177.21 1dfi h ALA 229 N 0.82 1.13 -0.18 3.77 0.00 -0.96 0.48 119.26 124.32 1dfi h ALA 229 Ca 0.09 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1dfi h ALA 229 Cb 0.71 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1dfi h ALA 229 CO 0.05 0.64 0.10 0.00 0.00 0.00 0.00 179.25 180.04 1dfi h ALA 230 N 1.26 0.22 -0.05 0.00 0.00 -1.05 -0.99 119.26 118.65 1dfi h ALA 230 Ca 0.31 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1dfi h ALA 230 Cb 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1dfi h ALA 230 CO -0.05 -0.25 -0.03 0.35 0.00 0.00 0.00 179.25 179.27 1dfi h PHE 231 N 0.19 -0.06 0.00 0.00 3.57 -1.05 -2.38 116.94 117.21 1dfi h PHE 231 Ca 0.06 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1dfi h PHE 231 Cb 0.05 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 1dfi h PHE 231 CO -0.04 -0.04 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.91 1dfi h LEU 232 N -0.03 0.00 -2.27 0.59 3.38 -0.49 -1.53 115.31 114.96 1dfi h LEU 232 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1dfi h LEU 232 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1dfi h LEU 232 CO -0.07 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.47 1dfi s SER 234 N -1.52 4.80 0.21 0.00 1.04 -0.58 -4.71 113.70 112.94 1dfi s SER 234 Ca 0.38 -0.96 0.23 0.00 0.48 0.00 0.00 55.95 56.08 1dfi s SER 234 Cb 0.23 -0.26 0.92 0.00 0.10 0.00 0.00 66.02 67.00 1dfi s SER 234 CO 0.32 -0.77 1.69 0.47 0.98 0.00 0.00 173.24 175.92 1dfi n ASP 235 N -1.56 0.57 0.28 7.02 8.00 -1.26 -2.64 116.55 126.96 1dfi n ASP 235 Ca 0.01 0.63 0.14 0.00 0.71 0.00 0.00 54.79 56.28 1dfi n ASP 235 Cb 0.63 -0.75 0.81 0.00 -0.02 0.00 0.00 41.12 41.79 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 0.00 -3.70 0.64 3.38 -1.89 -2.59 115.31 111.16 1dfi h LEU 236 Ca 0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 1dfi h LEU 236 Cb 0.40 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.93 1dfi h LEU 236 CO 0.00 0.08 0.30 -1.54 0.09 0.00 0.00 178.44 177.37 1dfi n SER 237 N -3.61 3.23 0.17 -0.43 3.41 -1.08 -4.72 113.62 110.58 1dfi n SER 237 Ca -0.02 -3.71 0.12 0.00 -0.26 0.00 0.00 58.87 55.01 1dfi n SER 237 Cb 0.19 -0.74 0.62 0.00 -0.26 0.00 0.00 64.21 64.01 1dfi n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dfi h ALA 238 N 1.03 1.00 -0.54 7.33 0.00 -1.64 -1.67 119.26 124.77 1dfi h ALA 238 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1dfi h ALA 238 Cb 2.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.05 1dfi h ALA 238 CO 0.78 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.44 1dfi n GLY 239 N -0.88 2.06 3.30 0.00 0.00 -1.26 -4.88 105.19 103.53 1dfi n GLY 239 Ca -0.01 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.29 3.18 -0.09 -0.61 1.01 -0.63 -5.09 121.20 117.68 1dfi s ILE 240 Ca 0.44 -0.56 -0.16 0.00 0.00 0.00 0.00 60.65 60.36 1dfi s ILE 240 Cb 0.24 -2.43 0.04 0.00 0.01 0.00 0.00 42.46 40.32 1dfi s ILE 240 CO 0.33 0.45 0.40 -0.55 0.00 0.00 0.00 174.94 175.57 1dfi s SER 241 N 1.32 -0.36 -0.78 3.58 0.15 -1.26 -4.76 113.70 111.58 1dfi s SER 241 Ca 0.04 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.22 1dfi s SER 241 Cb -0.14 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1dfi s SER 241 CO -0.04 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.70 1dfi n GLY 242 N 2.02 0.43 3.73 9.45 0.00 0.22 -4.96 105.19 116.08 1dfi n GLY 242 Ca -0.17 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.72 2.69 -0.27 1.61 2.56 -1.24 -4.62 118.70 115.72 1dfi s GLU 243 Ca 0.00 -0.83 -0.00 0.00 0.00 0.00 0.00 54.97 54.13 1dfi s GLU 243 Cb 0.00 -2.59 0.04 0.00 2.00 0.00 0.00 34.13 33.58 1dfi s GLU 243 CO 0.00 0.53 -0.06 0.08 -0.56 0.00 0.00 175.26 175.25 1dfi s VAL 244 N -1.46 2.71 -0.24 3.70 1.01 -1.26 -0.72 120.40 124.14 1dfi s VAL 244 Ca 0.28 -1.30 -0.10 0.00 0.00 0.00 0.00 61.98 60.86 1dfi s VAL 244 Cb -0.11 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 1dfi s VAL 244 CO 0.20 0.05 0.15 -0.69 0.00 0.00 0.00 175.10 174.81 1dfi s VAL 245 N 1.24 5.29 -0.21 2.92 1.01 -0.01 -4.89 120.40 125.75 1dfi s VAL 245 Ca -0.04 0.15 -0.26 0.00 0.00 0.00 0.00 61.98 61.84 1dfi s VAL 245 Cb -0.18 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 1dfi s VAL 245 CO -0.04 0.35 0.88 -1.00 0.00 0.00 0.00 175.10 175.29 1dfi s HIS 246 N 1.06 3.36 -0.69 5.22 3.76 -1.26 -0.83 115.29 125.90 1dfi s HIS 246 Ca 0.07 1.26 0.05 0.00 -0.15 0.00 0.00 55.06 56.29 1dfi s HIS 246 Cb -0.14 -3.09 0.20 0.00 1.11 0.00 0.00 32.58 30.66 1dfi s HIS 246 CO 0.04 -0.36 0.59 0.28 -0.85 0.00 0.00 174.74 174.44 1dfi n VAL 247 N 5.08 1.91 -1.91 -0.90 0.31 0.01 -4.71 118.33 118.12 1dfi n VAL 247 Ca 0.07 -5.00 0.01 0.00 -0.01 0.00 0.00 64.34 59.40 1dfi n VAL 247 Cb 0.48 -2.16 0.01 0.00 -0.91 0.00 0.00 33.84 31.25 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 1.57 0.13 -1.46 4.52 5.75 -1.26 -0.95 116.55 124.84 1dfi n ASP 248 Ca 0.23 -2.02 -0.17 0.00 -0.01 0.00 0.00 54.79 52.83 1dfi n ASP 248 Cb 0.37 -0.20 -0.05 0.00 -1.03 0.00 0.00 41.12 40.21 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 -0.08 1.04 1.76 6.12 0.00 -1.26 -2.14 105.19 110.63 1dfi n GLY 249 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.97 0.77 0.30 -0.02 0.00 -1.26 -3.33 105.19 100.69 1dfi n GLY 250 Ca -0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 0.01 0.00 1.61 3.57 -1.76 -1.55 116.94 118.81 1dfi h PHE 251 Ca 0.00 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1dfi h PHE 251 Cb 0.00 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 1dfi h PHE 251 CO 0.00 -0.28 -0.14 0.66 -2.23 0.00 0.00 178.31 176.32 1dfi h SER 252 N 0.10 0.00 -0.35 0.41 4.64 -1.93 -3.20 113.55 113.22 1dfi h SER 252 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1dfi h SER 252 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1dfi h SER 252 CO -0.73 0.14 0.00 2.30 -0.87 0.00 0.00 176.83 177.67 1dfi n ILE 253 N -3.67 0.46 -4.07 0.95 -6.64 -0.58 -4.92 119.36 100.89 1dfi n ILE 253 Ca -0.02 -0.60 -0.24 0.00 -1.77 0.00 0.00 62.75 60.12 1dfi n ILE 253 Cb 0.26 0.61 -0.04 0.00 -1.44 0.00 0.00 39.64 39.02 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 -1.54 3.66 -0.02 -1.28 0.00 -1.21 -5.14 121.76 116.23 1dfi s ALA 254 Ca 0.36 -1.27 -0.22 0.00 0.00 0.00 0.00 51.96 50.82 1dfi s ALA 254 Cb 0.20 -1.43 0.04 0.00 0.00 0.00 0.00 23.12 21.94 1dfi s ALA 254 CO 0.28 0.39 0.48 0.00 0.00 0.00 0.00 175.76 176.90 1dfi s ALA 255 N -1.92 -1.23 -1.43 0.00 0.00 -1.26 -4.94 121.76 110.97 1dfi s ALA 255 Ca 0.32 0.73 -0.03 0.00 0.00 0.00 0.00 51.96 52.99 1dfi s ALA 255 Cb -0.09 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.13 1dfi s ALA 255 CO 0.25 -0.34 0.30 -1.33 0.00 0.00 0.00 175.76 174.64 1dfi n MET 256 N 0.98 -2.20 -1.02 0.00 2.81 -1.26 -4.80 117.12 111.64 1dfi n MET 256 Ca -0.20 0.28 -0.16 0.00 -1.81 0.00 0.00 57.70 55.81 1dfi n MET 256 Cb 0.57 -4.07 -0.04 0.00 -0.71 0.00 0.00 33.22 28.97 1dfi n MET 256 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1dfi n ASN 257 N -2.90 6.00 0.00 7.83 3.02 -1.26 -5.26 115.26 122.70 1dfi n ASN 257 Ca -0.30 -2.86 0.00 0.00 -0.03 0.00 0.00 54.58 51.39 1dfi n ASN 257 Cb 0.68 -1.20 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 1dfi n ASN 257 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85