#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 0.02 1.61 1.16 -1.13 -2.74 117.46 116.38 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 0.06 0.00 -1.61 0.00 0.00 39.48 37.93 1dfi n PHE 3 CO 0.00 0.00 0.00 -0.11 -1.87 0.00 0.00 176.76 174.78 1dfi n LEU 4 N -0.98 2.10 -4.68 5.98 7.94 0.36 -4.58 117.00 123.15 1dfi n LEU 4 Ca 0.17 -1.67 -0.46 0.00 -1.11 0.00 0.00 56.01 52.94 1dfi n LEU 4 Cb 0.08 -0.07 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 1dfi n LEU 4 CO 0.13 0.51 1.33 -1.20 -1.11 0.00 0.00 177.39 177.04 1dfi n SER 5 N 0.08 3.33 0.00 1.96 7.64 -1.03 -1.30 113.62 124.30 1dfi n SER 5 Ca 0.05 1.03 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1dfi n SER 5 Cb 0.27 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.04 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 3.86 0.73 3.72 0.23 0.00 -1.24 -4.98 105.19 107.50 1dfi n GLY 6 Ca 0.19 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.60 2.86 -0.28 1.61 -0.14 -0.42 -4.97 119.74 117.80 1dfi s LYS 7 Ca 0.00 -0.60 -0.03 0.00 -1.36 0.00 0.00 55.97 53.98 1dfi s LYS 7 Cb 0.00 -2.72 0.03 0.00 -1.68 0.00 0.00 37.83 33.46 1dfi s LYS 7 CO 0.00 0.62 -0.00 1.03 -0.76 0.00 0.00 175.35 176.24 1dfi s ARG 8 N -1.71 2.78 -0.08 1.68 0.52 -1.26 -0.74 118.95 120.13 1dfi s ARG 8 Ca 0.22 -1.03 0.05 0.00 -0.52 0.00 0.00 55.73 54.44 1dfi s ARG 8 Cb -0.12 -3.16 -0.00 0.00 0.52 0.00 0.00 34.95 32.19 1dfi s ARG 8 CO 0.13 -0.48 -0.23 0.42 0.02 0.00 0.00 175.30 175.15 1dfi s ILE 9 N 1.35 1.97 -0.14 1.52 -1.09 -0.43 0.34 121.20 124.71 1dfi s ILE 9 Ca -0.01 -0.98 -0.22 0.00 -2.23 0.00 0.00 60.65 57.21 1dfi s ILE 9 Cb -0.18 -1.69 -0.03 0.00 -1.58 0.00 0.00 42.46 38.98 1dfi s ILE 9 CO -0.01 0.54 0.64 -0.22 -1.23 0.00 0.00 174.94 174.66 1dfi s LEU 10 N 0.19 4.22 -0.11 2.97 2.96 -0.74 -2.51 118.68 125.66 1dfi s LEU 10 Ca -0.13 0.97 -0.00 0.00 -0.22 0.00 0.00 54.13 54.74 1dfi s LEU 10 Cb -0.16 -2.95 -0.02 0.00 0.50 0.00 0.00 46.19 43.56 1dfi s LEU 10 CO 0.07 -0.19 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.12 1dfi s VAL 11 N 1.39 3.41 0.32 1.68 1.01 0.81 -1.14 120.40 127.89 1dfi s VAL 11 Ca 0.32 -0.56 0.09 0.00 0.00 0.00 0.00 61.98 61.83 1dfi s VAL 11 Cb -0.16 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1dfi s VAL 11 CO 0.13 0.55 0.11 0.42 0.00 0.00 0.00 175.10 176.30 1dfi s THR 12 N -0.12 3.21 -1.21 3.92 -4.23 -0.98 -2.58 115.64 113.64 1dfi s THR 12 Ca 0.00 -1.74 -0.08 0.00 -1.18 0.00 0.00 61.69 58.70 1dfi s THR 12 Cb -0.13 -2.97 -0.01 0.00 1.34 0.00 0.00 72.50 70.72 1dfi s THR 12 CO 0.03 -0.24 0.75 0.61 -0.54 0.00 0.00 174.62 175.23 1dfi n GLY 13 N -1.08 -0.67 3.59 3.99 0.00 -1.26 -4.28 105.19 105.48 1dfi n GLY 13 Ca -0.04 0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.57 5.16 0.00 1.61 1.01 -1.26 -4.60 120.40 118.76 1dfi s VAL 14 Ca 0.24 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.71 1dfi s VAL 14 Cb -0.07 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1dfi s VAL 14 CO 0.82 0.11 0.05 0.00 0.00 0.00 0.00 175.10 176.07 1dfi n ALA 15 N 5.36 1.06 -3.82 5.51 0.00 -1.26 -4.88 120.51 122.49 1dfi n ALA 15 Ca -0.08 -0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.26 1dfi n ALA 15 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.42 -0.10 0.20 0.00 0.15 -1.26 -4.96 113.70 107.31 1dfi s SER 16 Ca 0.00 -0.65 0.25 0.00 0.70 0.00 0.00 55.95 56.25 1dfi s SER 16 Cb 0.00 0.60 0.61 0.00 -1.71 0.00 0.00 66.02 65.52 1dfi s SER 16 CO 0.00 -1.14 1.61 0.50 1.20 0.00 0.00 173.24 175.41 1dfi h LYS 17 N 2.00 0.00 0.00 5.44 3.64 -2.00 -3.18 116.57 122.47 1dfi h LYS 17 Ca -0.26 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.02 1dfi h LYS 17 Cb 1.23 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 1dfi h LYS 17 CO 0.31 0.00 -0.63 -0.07 -2.27 0.00 0.00 179.45 176.79 1dfi h LEU 18 N 0.00 0.00 -9.59 5.20 4.07 -1.97 -3.43 115.31 109.59 1dfi h LEU 18 Ca 0.00 0.00 -0.59 0.00 0.08 0.00 0.00 57.88 57.37 1dfi h LEU 18 Cb 0.77 0.00 0.10 0.00 1.08 0.00 0.00 40.66 42.61 1dfi h LEU 18 CO 0.00 0.47 0.39 -1.54 -1.08 0.00 0.00 178.44 176.68 1dfi n SER 19 N -3.15 2.17 -0.32 -0.43 3.41 -1.20 -4.81 113.62 109.29 1dfi n SER 19 Ca 0.00 1.18 0.07 0.00 -0.26 0.00 0.00 58.87 59.87 1dfi n SER 19 Cb 0.74 -1.39 0.23 0.00 -0.26 0.00 0.00 64.21 63.53 1dfi n SER 19 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1dfi h ILE 20 N 2.50 0.79 -0.18 -1.33 2.04 -1.91 0.18 117.51 119.60 1dfi h ILE 20 Ca -0.43 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 1dfi h ILE 20 Cb 1.30 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1dfi h ILE 20 CO 0.66 0.14 -0.01 0.00 0.00 0.00 0.00 178.15 178.93 1dfi h ALA 21 N 1.55 1.64 -0.32 1.87 0.00 -1.88 -1.32 119.26 120.80 1dfi h ALA 21 Ca 0.48 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 1dfi h ALA 21 Cb 0.61 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1dfi h ALA 21 CO -0.33 0.27 0.01 -0.92 0.00 0.00 0.00 179.25 178.28 1dfi h TYR 22 N 0.26 0.61 -0.92 0.00 3.20 -1.22 0.24 116.97 119.13 1dfi h TYR 22 Ca 0.06 -0.10 0.04 0.00 3.14 0.00 0.00 58.73 61.87 1dfi h TYR 22 Cb 0.20 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.26 1dfi h TYR 22 CO 0.00 0.68 0.60 0.78 -1.64 0.00 0.00 178.16 178.58 1dfi h GLY 23 N 0.36 1.37 0.81 1.82 0.00 -1.13 0.95 103.07 107.24 1dfi h GLY 23 Ca 0.09 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 1dfi h GLY 23 CO 0.02 0.36 -0.02 -2.22 0.00 0.00 0.00 176.54 174.67 1dfi h ILE 24 N 1.13 1.10 -0.68 2.60 2.04 -0.63 -2.16 117.51 120.91 1dfi h ILE 24 Ca 0.38 -0.44 0.07 0.00 1.00 0.00 0.00 64.86 65.87 1dfi h ILE 24 Cb 0.06 1.39 -0.06 0.00 -0.74 0.00 0.00 36.82 37.47 1dfi h ILE 24 CO -0.14 0.11 0.36 0.00 0.00 0.00 0.00 178.15 178.48 1dfi h ALA 25 N 0.71 0.91 -0.56 1.87 0.00 -0.02 -2.03 119.26 120.13 1dfi h ALA 25 Ca -0.01 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1dfi h ALA 25 Cb 0.22 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1dfi h ALA 25 CO 0.01 0.01 0.35 0.37 0.00 0.00 0.00 179.25 179.99 1dfi h GLN 26 N 0.65 0.68 -0.22 0.00 4.15 -0.69 -0.42 115.11 119.27 1dfi h GLN 26 Ca 0.31 -0.04 -0.15 0.00 0.77 0.00 0.00 58.65 59.54 1dfi h GLN 26 Cb 0.24 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 1dfi h GLN 26 CO -0.21 0.45 -0.47 0.00 -1.93 0.00 0.00 178.83 176.67 1dfi h ALA 27 N 1.23 0.77 -0.41 3.38 0.00 -0.96 -0.79 119.26 122.48 1dfi h ALA 27 Ca 0.22 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1dfi h ALA 27 Cb -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1dfi h ALA 27 CO -0.08 0.67 -0.10 0.52 0.00 0.00 0.00 179.25 180.26 1dfi h MET 28 N 0.45 0.80 0.20 0.00 2.86 -1.08 -0.98 114.93 117.18 1dfi h MET 28 Ca 0.03 -0.31 -0.01 0.00 -2.06 0.00 0.00 59.70 57.35 1dfi h MET 28 Cb 1.00 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.61 1dfi h MET 28 CO 0.09 0.92 -0.11 1.25 1.06 0.00 0.00 176.91 180.13 1dfi h HIS 29 N 0.62 -0.27 -0.95 -0.22 6.17 -1.02 -0.68 115.15 118.79 1dfi h HIS 29 Ca 0.10 -0.01 0.27 0.00 0.71 0.00 0.00 60.37 61.45 1dfi h HIS 29 Cb 0.63 0.09 -0.04 0.00 2.52 0.00 0.00 27.41 30.61 1dfi h HIS 29 CO 0.05 -0.17 0.68 -0.09 0.71 0.00 0.00 177.93 179.11 1dfi h ARG 30 N -0.28 0.00 -0.32 5.26 2.43 -0.80 0.35 114.38 121.02 1dfi h ARG 30 Ca -0.02 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1dfi h ARG 30 Cb 0.23 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1dfi h ARG 30 CO 0.04 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.89 1dfi n GLU 31 N -4.25 2.05 0.00 0.20 -0.58 -0.39 -4.78 120.64 112.89 1dfi n GLU 31 Ca 0.20 -1.60 0.00 0.00 -0.42 0.00 0.00 57.16 55.34 1dfi n GLU 31 Cb 1.01 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 30.46 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 1.27 0.74 3.81 0.62 0.00 0.11 -0.49 105.19 111.25 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 2.93 -0.15 4.61 0.00 -0.47 -3.66 121.76 123.01 1dfi s ALA 33 Ca 0.00 0.53 -0.13 0.00 0.00 0.00 0.00 51.96 52.36 1dfi s ALA 33 Cb 0.00 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 1dfi s ALA 33 CO 0.00 -0.17 0.27 -1.21 0.00 0.00 0.00 175.76 174.65 1dfi s GLU 34 N -3.25 4.16 0.19 0.00 2.02 0.08 -4.44 118.70 117.46 1dfi s GLU 34 Ca 0.65 0.07 0.09 0.00 0.02 0.00 0.00 54.97 55.80 1dfi s GLU 34 Cb -0.14 -3.39 -0.04 0.00 0.10 0.00 0.00 34.13 30.66 1dfi s GLU 34 CO 0.18 0.32 -0.08 -0.51 0.02 0.00 0.00 175.26 175.19 1dfi s LEU 35 N 0.24 3.01 0.05 1.80 1.43 -1.26 -1.32 118.68 122.63 1dfi s LEU 35 Ca 0.16 -0.57 0.03 0.00 -1.03 0.00 0.00 54.13 52.72 1dfi s LEU 35 Cb -0.13 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.38 1dfi s LEU 35 CO 0.04 0.10 -0.09 0.00 0.23 0.00 0.00 176.35 176.62 1dfi s ALA 36 N -1.75 0.71 0.08 4.21 0.00 -1.05 -4.60 121.76 119.37 1dfi s ALA 36 Ca 0.25 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.48 1dfi s ALA 36 Cb -0.09 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 1dfi s ALA 36 CO 0.16 0.03 -0.15 -0.06 0.00 0.00 0.00 175.76 175.75 1dfi s PHE 37 N -1.27 1.29 0.33 0.00 0.40 0.15 -0.13 117.98 118.74 1dfi s PHE 37 Ca -0.07 -0.47 0.09 0.00 -0.60 0.00 0.00 56.93 55.87 1dfi s PHE 37 Cb -0.09 -0.71 -0.05 0.00 0.51 0.00 0.00 43.02 42.67 1dfi s PHE 37 CO 0.01 0.08 0.02 0.95 0.70 0.00 0.00 175.22 176.97 1dfi s THR 38 N -1.41 2.77 -0.07 0.64 -4.23 -1.07 0.01 115.64 112.28 1dfi s THR 38 Ca 0.00 -1.95 -0.13 0.00 -1.18 0.00 0.00 61.69 58.43 1dfi s THR 38 Cb -0.09 -2.80 0.03 0.00 1.34 0.00 0.00 72.50 70.97 1dfi s THR 38 CO 0.02 -0.23 0.33 -0.72 -0.54 0.00 0.00 174.62 173.48 1dfi s TYR 39 N -2.48 -0.28 -0.05 3.99 1.13 0.26 -4.53 117.35 115.38 1dfi s TYR 39 Ca 0.34 0.60 -0.26 0.00 -1.41 0.00 0.00 57.07 56.35 1dfi s TYR 39 Cb -0.01 0.11 -0.20 0.00 -1.10 0.00 0.00 41.96 40.76 1dfi s TYR 39 CO 0.20 -0.29 1.11 0.37 -2.51 0.00 0.00 175.55 174.43 1dfi h GLN 40 N 4.74 -0.05 -4.27 -3.49 4.15 -1.88 0.38 115.11 114.69 1dfi h GLN 40 Ca -0.28 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.00 1dfi h GLN 40 Cb 1.18 0.01 -0.16 0.00 0.21 0.00 0.00 27.48 28.72 1dfi h GLN 40 CO 0.34 0.51 -0.69 0.54 -1.93 0.00 0.00 178.83 177.61 1dfi s ASN 41 N -5.72 0.55 0.19 -0.69 2.20 -1.26 -4.37 114.94 105.83 1dfi s ASN 41 Ca -0.16 -0.92 0.05 0.00 -0.94 0.00 0.00 52.86 50.89 1dfi s ASN 41 Cb 0.01 0.17 0.55 0.00 -2.00 0.00 0.00 41.25 39.98 1dfi s ASN 41 CO 0.64 -0.53 0.88 0.47 -2.94 0.00 0.00 177.10 175.62 1dfi n ASP 42 N 0.33 0.03 -0.17 3.54 8.00 -1.26 -0.76 116.55 126.26 1dfi n ASP 42 Ca -0.15 0.95 -0.02 0.00 0.71 0.00 0.00 54.79 56.28 1dfi n ASP 42 Cb 0.60 -0.39 0.08 0.00 -0.02 0.00 0.00 41.12 41.39 1dfi n ASP 42 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1dfi h LYS 43 N 0.00 0.27 0.00 -1.24 3.64 -2.01 -3.21 116.57 114.02 1dfi h LYS 43 Ca 0.39 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.65 1dfi h LYS 43 Cb 0.91 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 1dfi h LYS 43 CO -0.49 0.18 -0.50 -0.07 -2.27 0.00 0.00 179.45 176.30 1dfi h LEU 44 N 0.28 0.00 -0.51 5.20 -0.00 -1.37 -3.39 115.31 115.51 1dfi h LEU 44 Ca 0.26 0.00 0.09 0.00 -0.00 0.00 0.00 57.88 58.23 1dfi h LEU 44 Cb 0.35 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 40.92 1dfi h LEU 44 CO -0.32 0.50 -0.17 1.17 -0.00 0.00 0.00 178.44 179.62 1dfi n LYS 45 N -3.32 -0.09 0.20 1.13 4.81 -1.21 -0.98 118.16 118.70 1dfi n LYS 45 Ca 0.01 0.79 -0.15 0.00 -0.87 0.00 0.00 58.31 58.10 1dfi n LYS 45 Cb 0.68 -1.18 -0.07 0.00 0.02 0.00 0.00 35.03 34.47 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 -0.78 1.00 3.14 0.00 -1.83 0.35 103.07 104.95 1dfi h GLY 46 Ca 0.21 0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.94 1dfi h GLY 46 CO -0.52 -0.28 -0.01 3.21 0.00 0.00 0.00 176.54 178.94 1dfi h ARG 47 N -0.69 -0.02 -0.62 4.80 3.08 -1.35 -1.63 114.38 117.96 1dfi h ARG 47 Ca -0.01 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.06 1dfi h ARG 47 Cb 0.64 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.65 1dfi h ARG 47 CO -0.08 -0.01 0.38 0.28 -1.07 0.00 0.00 179.97 179.47 1dfi h VAL 48 N -0.02 1.09 -0.96 2.04 2.07 -1.32 0.92 116.25 120.07 1dfi h VAL 48 Ca -0.00 -0.26 0.10 0.00 0.82 0.00 0.00 66.70 67.35 1dfi h VAL 48 Cb 0.01 0.26 -0.07 0.00 -1.52 0.00 0.00 31.29 29.98 1dfi h VAL 48 CO 0.00 0.14 0.62 -0.08 0.02 0.00 0.00 177.57 178.27 1dfi h GLU 49 N 0.76 0.98 0.85 1.57 4.81 -0.06 0.53 114.58 124.03 1dfi h GLU 49 Ca 0.24 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 1dfi h GLU 49 Cb -0.00 -0.22 0.01 0.00 0.63 0.00 0.00 28.75 29.17 1dfi h GLU 49 CO -0.09 0.65 -0.41 1.49 -0.73 0.00 0.00 179.01 179.92 1dfi h GLU 50 N 1.01 -1.10 -0.48 1.92 4.81 0.07 -2.56 114.58 118.26 1dfi h GLU 50 Ca 0.45 0.07 0.08 0.00 -0.13 0.00 0.00 59.36 59.83 1dfi h GLU 50 Cb 0.37 0.25 -0.07 0.00 0.63 0.00 0.00 28.75 29.93 1dfi h GLU 50 CO -0.20 -0.73 0.09 0.74 -0.73 0.00 0.00 179.01 178.18 1dfi h PHE 51 N -1.26 0.15 -0.27 0.92 0.04 -0.63 -1.55 116.94 114.34 1dfi h PHE 51 Ca -0.12 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.75 1dfi h PHE 51 Cb 0.88 0.01 -0.08 0.00 2.20 0.00 0.00 35.95 38.96 1dfi h PHE 51 CO -0.00 -0.01 -0.33 0.00 -0.60 0.00 0.00 178.31 177.37 1dfi h ALA 52 N 1.38 -0.29 -0.72 2.45 0.00 -0.89 -0.19 119.26 120.99 1dfi h ALA 52 Ca 0.24 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.33 1dfi h ALA 52 Cb 0.32 0.67 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1dfi h ALA 52 CO -0.32 -0.77 0.48 0.00 0.00 0.00 0.00 179.25 178.64 1dfi h ALA 53 N 0.57 1.95 0.00 0.00 0.00 -0.96 0.48 119.26 121.31 1dfi h ALA 53 Ca 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1dfi h ALA 53 Cb 0.54 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1dfi h ALA 53 CO -0.45 -0.12 -0.09 1.96 0.00 0.00 0.00 179.25 180.55 1dfi h GLN 54 N 0.53 0.00 -0.21 0.00 4.20 -0.09 -2.40 115.11 117.13 1dfi h GLN 54 Ca 0.34 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.94 1dfi h GLN 54 Cb 0.60 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.32 1dfi h GLN 54 CO -0.11 0.09 -0.22 1.28 -0.67 0.00 0.00 178.83 179.20 1dfi n LEU 55 N -3.51 3.57 -1.98 1.46 4.77 0.14 -4.96 117.00 116.50 1dfi n LEU 55 Ca -0.02 -3.78 -0.19 0.00 -0.03 0.00 0.00 56.01 52.00 1dfi n LEU 55 Cb 0.23 -0.59 -0.03 0.00 -2.33 0.00 0.00 43.42 40.70 1dfi n LEU 55 CO 0.29 1.27 -0.23 0.61 -1.33 0.00 0.00 177.39 178.00 1dfi n GLY 56 N -1.11 0.28 3.48 -0.72 0.00 -0.69 -4.79 105.19 101.63 1dfi n GLY 56 Ca 0.27 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.34 3.93 0.00 1.61 0.15 0.38 -4.92 113.70 112.51 1dfi s SER 57 Ca 0.00 -0.35 0.07 0.00 0.70 0.00 0.00 55.95 56.37 1dfi s SER 57 Cb 0.00 -0.71 0.16 0.00 -1.71 0.00 0.00 66.02 63.76 1dfi s SER 57 CO 0.00 0.27 1.05 -0.90 1.20 0.00 0.00 173.24 174.87 1dfi n ASP 58 N 1.69 2.34 -4.31 5.45 5.75 -1.26 -3.03 116.55 123.18 1dfi n ASP 58 Ca -0.16 -1.82 -0.46 0.00 -0.01 0.00 0.00 54.79 52.34 1dfi n ASP 58 Cb 0.52 -0.11 -0.05 0.00 -1.03 0.00 0.00 41.12 40.45 1dfi n ASP 58 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1dfi s ILE 59 N -0.90 5.20 -0.20 2.12 1.01 -1.26 -5.00 121.20 122.18 1dfi s ILE 59 Ca 0.13 -1.48 -0.02 0.00 0.00 0.00 0.00 60.65 59.28 1dfi s ILE 59 Cb 0.07 -4.34 0.06 0.00 0.01 0.00 0.00 42.46 38.27 1dfi s ILE 59 CO 0.10 -0.86 0.03 -0.69 0.00 0.00 0.00 174.94 173.51 1dfi s VAL 60 N 1.62 0.62 0.09 2.92 1.01 -1.25 0.30 120.40 125.71 1dfi s VAL 60 Ca 0.03 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 61.47 1dfi s VAL 60 Cb -0.30 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1dfi s VAL 60 CO 0.03 -0.21 -0.23 -0.76 0.00 0.00 0.00 175.10 173.94 1dfi s LEU 61 N 1.81 2.26 0.36 3.92 1.43 0.10 -4.98 118.68 123.59 1dfi s LEU 61 Ca -0.01 -0.65 -0.21 0.00 -1.03 0.00 0.00 54.13 52.22 1dfi s LEU 61 Cb -0.17 -1.03 -0.10 0.00 0.03 0.00 0.00 46.19 44.92 1dfi s LEU 61 CO -0.08 0.13 0.89 -1.58 0.23 0.00 0.00 176.35 175.94 1dfi s GLN 62 N -1.71 4.30 -0.26 1.70 0.74 -1.26 -0.58 119.66 122.59 1dfi s GLN 62 Ca 0.09 1.08 -0.09 0.00 0.05 0.00 0.00 55.36 56.49 1dfi s GLN 62 Cb -0.10 -2.47 0.11 0.00 1.10 0.00 0.00 33.01 31.65 1dfi s GLN 62 CO 0.04 0.13 0.56 0.00 -0.55 0.00 0.00 175.29 175.47 1dfi s ASP 64 N 2.62 5.03 0.08 0.00 -1.08 -1.26 -3.84 116.67 118.21 1dfi s ASP 64 Ca -0.05 -1.55 0.13 0.00 -0.52 0.00 0.00 52.55 50.56 1dfi s ASP 64 Cb -0.11 -1.76 0.57 0.00 -1.46 0.00 0.00 42.92 40.16 1dfi s ASP 64 CO -0.17 -0.36 1.40 1.33 0.52 0.00 0.00 175.17 177.89 1dfi n VAL 65 N 4.61 1.24 0.33 1.11 0.24 -1.26 -1.71 118.33 122.89 1dfi n VAL 65 Ca -0.09 0.36 0.15 0.00 -2.04 0.00 0.00 64.34 62.72 1dfi n VAL 65 Cb 0.43 -1.23 0.58 0.00 -1.47 0.00 0.00 33.84 32.14 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 2.28 1.00 -3.30 2.33 0.00 -1.95 -3.43 119.26 116.19 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 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 17.67 1dfi h ALA 66 CO 0.00 0.00 -0.81 -1.21 0.00 0.00 0.00 179.25 177.23 1dfi s GLU 67 N -3.49 3.24 0.22 0.00 0.41 -0.69 -5.01 118.70 113.37 1dfi s GLU 67 Ca 0.03 -0.77 -0.09 0.00 -0.41 0.00 0.00 54.97 53.74 1dfi s GLU 67 Cb 0.09 -2.52 0.22 0.00 -1.78 0.00 0.00 34.13 30.14 1dfi s GLU 67 CO 0.50 0.16 1.87 -0.44 -0.49 0.00 0.00 175.26 176.86 1dfi h ASP 68 N 6.83 0.85 -0.56 -0.19 3.32 -1.85 -2.66 116.42 122.17 1dfi h ASP 68 Ca -0.25 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.71 1dfi h ASP 68 Cb 1.22 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 1dfi h ASP 68 CO 0.53 0.59 0.05 0.00 -1.72 0.00 0.00 179.24 178.69 1dfi h ALA 69 N 1.32 0.97 -0.71 3.45 0.00 -1.95 -2.25 119.26 120.09 1dfi h ALA 69 Ca 0.31 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1dfi h ALA 69 Cb -0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1dfi h ALA 69 CO -0.10 0.63 0.47 1.03 0.00 0.00 0.00 179.25 181.28 1dfi h SER 70 N 0.92 0.71 -0.06 0.00 0.87 -1.73 0.07 113.55 114.32 1dfi h SER 70 Ca 0.18 -0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.64 1dfi h SER 70 Cb 0.47 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1dfi h SER 70 CO 0.02 0.48 -0.32 0.40 -0.53 0.00 0.00 176.83 176.88 1dfi h ILE 71 N 0.82 1.43 -0.89 2.23 2.04 -1.40 -1.70 117.51 120.04 1dfi h ILE 71 Ca 0.29 -1.74 0.02 0.00 1.00 0.00 0.00 64.86 64.44 1dfi h ILE 71 Cb 0.14 2.35 -0.05 0.00 -0.74 0.00 0.00 36.82 38.52 1dfi h ILE 71 CO -0.09 0.50 0.58 0.44 0.00 0.00 0.00 178.15 179.58 1dfi h ASP 72 N -0.17 0.98 -0.28 1.72 5.19 -1.05 -1.03 116.42 121.78 1dfi h ASP 72 Ca -0.02 -0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 56.27 1dfi h ASP 72 Cb 0.97 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.25 1dfi h ASP 72 CO 0.07 0.69 -0.23 0.74 -3.12 0.00 0.00 179.24 177.38 1dfi h THR 73 N 1.15 1.30 -0.22 0.35 2.02 -1.01 -0.99 112.91 115.51 1dfi h THR 73 Ca 0.34 -1.38 0.01 0.00 0.77 0.00 0.00 66.41 66.15 1dfi h THR 73 Cb -0.05 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1dfi h THR 73 CO -0.10 0.44 0.11 -0.03 0.37 0.00 0.00 175.52 176.31 1dfi h MET 74 N 0.38 0.23 -0.11 6.66 1.85 -0.95 -0.87 114.93 122.13 1dfi h MET 74 Ca 0.05 -0.01 -0.08 0.00 -0.61 0.00 0.00 59.70 59.05 1dfi h MET 74 Cb 0.78 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.75 1dfi h MET 74 CO 0.06 0.15 -0.28 0.74 -0.40 0.00 0.00 176.91 177.18 1dfi h PHE 75 N 0.24 0.21 -0.20 1.39 0.04 -1.02 -0.41 116.94 117.19 1dfi h PHE 75 Ca 0.09 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1dfi h PHE 75 Cb 0.02 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 1dfi h PHE 75 CO -0.09 0.46 0.13 0.00 -0.60 0.00 0.00 178.31 178.21 1dfi h ALA 76 N 1.54 0.25 0.03 2.45 0.00 -0.59 -1.18 119.26 121.76 1dfi h ALA 76 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1dfi h ALA 76 Cb 0.59 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1dfi h ALA 76 CO 0.04 -0.27 -0.01 0.93 0.00 0.00 0.00 179.25 179.94 1dfi h GLU 77 N 0.26 -0.03 -0.41 0.00 4.39 -0.61 -2.82 114.58 115.37 1dfi h GLU 77 Ca 0.07 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.80 1dfi h GLU 77 Cb -0.03 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 1dfi h GLU 77 CO -0.02 0.09 0.27 1.25 -1.16 0.00 0.00 179.01 179.45 1dfi h LEU 78 N -0.15 0.41 -1.85 1.33 5.85 -0.96 -1.50 115.31 118.44 1dfi h LEU 78 Ca -0.00 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1dfi h LEU 78 Cb 0.14 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 1dfi h LEU 78 CO 0.01 0.29 -0.00 1.23 -0.34 0.00 0.00 178.44 179.62 1dfi h GLY 79 N 0.48 0.00 1.43 3.75 0.00 -0.95 1.05 103.07 108.82 1dfi h GLY 79 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.39 1dfi h GLY 79 CO -0.04 0.00 -0.19 0.50 0.00 0.00 0.00 176.54 176.82 1dfi h LYS 80 N 0.00 0.66 0.02 4.80 1.79 -1.18 -3.12 116.57 119.55 1dfi h LYS 80 Ca -0.00 -0.24 -0.39 0.00 -2.18 0.00 0.00 60.65 57.84 1dfi h LYS 80 Cb 0.39 -0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 30.93 1dfi h LYS 80 CO 0.00 0.81 -2.29 1.55 -1.08 0.00 0.00 179.45 178.44 1dfi n VAL 81 N -4.14 1.56 -3.80 0.50 3.14 -0.38 -4.76 118.33 110.45 1dfi n VAL 81 Ca 0.00 -0.49 -0.29 0.00 -2.96 0.00 0.00 64.34 60.61 1dfi n VAL 81 Cb 0.39 -1.66 -0.13 0.00 -1.06 0.00 0.00 33.84 31.38 1dfi n VAL 81 CO 0.00 0.00 0.00 0.26 -6.46 0.00 0.00 176.83 170.63 1dfi s TRP 82 N -2.51 2.58 0.41 1.45 0.51 0.35 -4.96 118.94 116.76 1dfi s TRP 82 Ca -0.33 -2.82 0.08 0.00 -2.12 0.00 0.00 56.10 50.91 1dfi s TRP 82 Cb 0.10 -2.26 0.85 0.00 -0.81 0.00 0.00 33.47 31.34 1dfi s TRP 82 CO 0.60 -0.73 2.02 -1.00 -0.51 0.00 0.00 176.95 177.34 1dfi h PRO 83 N 6.34 0.46 -5.71 4.98 0.13 -1.74 -3.34 132.00 133.11 1dfi h PRO 83 Ca 0.02 -0.05 -0.52 0.00 -0.87 0.00 0.00 66.00 64.58 1dfi h PRO 83 Cb 0.88 -0.09 -0.26 0.00 0.13 0.00 0.00 31.00 31.66 1dfi h PRO 83 CO 0.58 0.36 -0.82 0.15 -0.23 0.00 0.00 178.00 178.04 1dfi s LYS 84 N -5.29 1.22 0.24 0.86 -0.14 -1.26 -4.67 119.74 110.69 1dfi s LYS 84 Ca -0.08 -0.80 -0.09 0.00 -1.36 0.00 0.00 55.97 53.64 1dfi s LYS 84 Cb 0.17 -1.27 -0.01 0.00 -1.68 0.00 0.00 37.83 35.04 1dfi s LYS 84 CO 0.73 0.33 0.38 -0.59 -0.76 0.00 0.00 175.35 175.44 1dfi s PHE 85 N -0.73 0.60 -0.50 3.18 -0.71 0.28 -4.97 117.98 115.14 1dfi s PHE 85 Ca 0.05 -0.92 0.05 0.00 -1.04 0.00 0.00 56.93 55.07 1dfi s PHE 85 Cb -0.08 -0.03 0.20 0.00 -1.21 0.00 0.00 43.02 41.90 1dfi s PHE 85 CO 0.01 -0.90 0.46 -0.25 -1.34 0.00 0.00 175.22 173.20 1dfi n ASP 86 N -0.38 0.92 0.00 1.98 9.92 1.03 -1.16 116.55 128.86 1dfi n ASP 86 Ca -0.00 -2.75 0.00 0.00 -0.53 0.00 0.00 54.79 51.50 1dfi n ASP 86 Cb 0.63 -0.63 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1dfi n ASP 86 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1dfi n GLY 87 N 2.09 3.61 3.09 0.44 0.00 -1.24 -3.01 105.19 110.17 1dfi n GLY 87 Ca 0.26 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.37 -0.11 -0.28 1.61 -0.12 -1.18 -1.79 117.98 113.74 1dfi s PHE 88 Ca 0.00 0.25 -0.10 0.00 -0.05 0.00 0.00 56.93 57.03 1dfi s PHE 88 Cb 0.00 0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.38 1dfi s PHE 88 CO 0.00 -0.18 0.17 0.08 -0.05 0.00 0.00 175.22 175.24 1dfi s VAL 89 N -0.52 5.09 -0.38 -2.49 1.01 -0.29 -2.21 120.40 120.61 1dfi s VAL 89 Ca -0.06 0.04 -0.10 0.00 0.00 0.00 0.00 61.98 61.86 1dfi s VAL 89 Cb -0.04 -3.44 0.04 0.00 0.00 0.00 0.00 36.38 32.94 1dfi s VAL 89 CO 0.01 0.23 0.21 -2.28 0.00 0.00 0.00 175.10 173.27 1dfi s HIS 90 N 1.72 3.27 -0.47 5.22 2.46 0.74 -2.33 115.29 125.90 1dfi s HIS 90 Ca 0.07 -1.16 0.09 0.00 0.47 0.00 0.00 55.06 54.53 1dfi s HIS 90 Cb -0.16 -2.55 0.35 0.00 -0.13 0.00 0.00 32.58 30.09 1dfi s HIS 90 CO 0.09 -0.71 0.83 0.45 -2.47 0.00 0.00 174.74 172.94 1dfi n SER 91 N 4.96 2.57 -4.10 9.88 2.88 -1.26 -2.55 113.62 126.00 1dfi n SER 91 Ca -0.11 -3.33 -0.21 0.00 -1.33 0.00 0.00 58.87 53.88 1dfi n SER 91 Cb 0.45 -0.59 -0.15 0.00 -0.75 0.00 0.00 64.21 63.17 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 -3.40 1.05 -0.18 2.46 1.01 -1.26 -4.28 121.20 116.59 1dfi s ILE 92 Ca 0.44 -0.62 -0.29 0.00 0.00 0.00 0.00 60.65 60.18 1dfi s ILE 92 Cb 0.32 -0.88 0.13 0.00 0.01 0.00 0.00 42.46 42.03 1dfi s ILE 92 CO -0.11 0.26 1.03 -0.83 0.00 0.00 0.00 174.94 175.28 1dfi s GLY 93 N -0.41 -0.23 -0.28 6.18 0.00 -1.26 -4.61 107.32 106.71 1dfi s GLY 93 Ca 0.05 2.17 -0.25 0.00 0.00 0.00 0.00 44.72 46.69 1dfi s GLY 93 CO -0.00 1.15 1.09 -0.12 0.00 0.00 0.00 173.10 175.22 1dfi s PHE 94 N -0.92 -0.40 -0.02 1.90 5.36 -1.26 -4.95 117.98 117.69 1dfi s PHE 94 Ca -0.00 0.97 -0.03 0.00 -0.96 0.00 0.00 56.93 56.91 1dfi s PHE 94 Cb -0.01 0.39 0.00 0.00 -0.34 0.00 0.00 43.02 43.06 1dfi s PHE 94 CO -0.00 -0.20 0.06 0.00 -1.46 0.00 0.00 175.22 173.62 1dfi s ALA 95 N 0.12 -0.15 0.27 11.12 0.00 -1.26 -3.94 121.76 127.92 1dfi s ALA 95 Ca 0.04 0.03 -0.31 0.00 0.00 0.00 0.00 51.96 51.72 1dfi s ALA 95 Cb -0.05 -0.05 -0.12 0.00 0.00 0.00 0.00 23.12 22.90 1dfi s ALA 95 CO -0.07 -0.08 1.55 -2.30 0.00 0.00 0.00 175.76 174.87 1dfi n PRO 96 N 2.62 2.52 -0.23 0.00 -0.02 -1.26 -4.85 135.00 133.76 1dfi n PRO 96 Ca -0.15 0.90 0.19 0.00 -2.02 0.00 0.00 63.50 62.41 1dfi n PRO 96 Cb 0.58 -2.65 0.52 0.00 -0.02 0.00 0.00 33.50 31.93 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 4.79 0.83 1.37 -1.23 0.00 -1.99 -0.31 103.07 106.53 1dfi h GLY 97 Ca -0.46 -0.18 0.04 0.00 0.00 0.00 0.00 47.33 46.73 1dfi h GLY 97 CO 0.80 -0.00 0.34 1.29 0.00 0.00 0.00 176.54 178.96 1dfi h ASP 98 N 0.39 0.48 0.18 0.19 2.03 -1.97 0.13 116.42 117.85 1dfi h ASP 98 Ca 0.46 -0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.75 1dfi h ASP 98 Cb 1.17 -0.11 -0.00 0.00 -0.83 0.00 0.00 39.33 39.56 1dfi h ASP 98 CO -0.17 0.33 -0.01 1.56 -1.03 0.00 0.00 179.24 179.92 1dfi h GLN 99 N 0.55 0.00 -0.60 4.15 1.08 -1.31 -3.05 115.11 115.93 1dfi h GLN 99 Ca 0.21 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.29 1dfi h GLN 99 Cb 0.14 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.50 1dfi h GLN 99 CO -0.05 0.01 0.13 1.28 -0.95 0.00 0.00 178.83 179.25 1dfi n LEU 100 N -3.25 5.56 -3.69 1.46 4.32 0.45 -4.43 117.00 117.42 1dfi n LEU 100 Ca -0.02 -3.14 -0.16 0.00 -0.02 0.00 0.00 56.01 52.66 1dfi n LEU 100 Cb 0.12 -0.69 -0.15 0.00 -1.62 0.00 0.00 43.42 41.07 1dfi n LEU 100 CO 0.23 0.76 -0.24 -0.62 -1.22 0.00 0.00 177.39 176.30 1dfi s ASP 101 N -1.19 0.54 0.00 -1.43 2.15 -1.16 -4.75 116.67 110.83 1dfi s ASP 101 Ca 0.53 0.31 0.00 0.00 0.43 0.00 0.00 52.55 53.82 1dfi s ASP 101 Cb 0.42 0.24 0.00 0.00 -0.30 0.00 0.00 42.92 43.27 1dfi s ASP 101 CO 0.13 -0.22 0.00 0.61 -0.17 0.00 0.00 175.17 175.52 1dfi n GLY 102 N 5.03 -1.39 3.66 2.66 0.00 -1.26 -4.84 105.19 109.06 1dfi n GLY 102 Ca -0.10 -2.09 -0.52 0.00 0.00 0.00 0.00 46.02 43.31 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 0.00 2.51 -0.14 1.61 -0.08 -1.26 -4.45 116.55 114.74 1dfi n ASP 103 Ca 0.00 1.07 -0.04 0.00 -1.51 0.00 0.00 54.79 54.30 1dfi n ASP 103 Cb 0.00 -1.25 0.04 0.00 2.34 0.00 0.00 41.12 42.26 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 6.68 0.26 -0.36 -0.67 3.20 -1.95 -0.38 116.97 123.75 1dfi h TYR 104 Ca -0.47 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.34 1dfi h TYR 104 Cb 1.30 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.51 1dfi h TYR 104 CO 0.72 0.09 -0.11 0.28 -1.64 0.00 0.00 178.16 177.50 1dfi h VAL 105 N 0.31 1.24 0.02 1.81 2.07 -1.95 -1.64 116.25 118.11 1dfi h VAL 105 Ca 0.21 -1.08 -0.22 0.00 0.82 0.00 0.00 66.70 66.43 1dfi h VAL 105 Cb 0.21 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1dfi h VAL 105 CO -0.22 0.36 -0.96 0.78 0.02 0.00 0.00 177.57 177.55 1dfi h ASN 106 N 0.57 0.42 -0.20 0.57 2.35 -1.88 -3.34 115.58 114.08 1dfi h ASN 106 Ca 0.10 -0.35 -0.18 0.00 -0.55 0.00 0.00 56.30 55.32 1dfi h ASN 106 Cb 0.53 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.77 1dfi h ASN 106 CO 0.03 1.17 -0.58 0.00 -1.65 0.00 0.00 177.43 176.40 1dfi h ALA 107 N 0.80 0.34 -2.99 -0.83 0.00 -0.82 -3.46 119.26 112.28 1dfi h ALA 107 Ca -0.07 -0.53 -0.55 0.00 0.00 0.00 0.00 54.91 53.76 1dfi h ALA 107 Cb 1.61 -0.04 0.13 0.00 0.00 0.00 0.00 17.79 19.49 1dfi h ALA 107 CO 0.16 0.57 0.57 0.54 0.00 0.00 0.00 179.25 181.09 1dfi s VAL 108 N -3.92 2.20 0.06 0.00 0.11 -0.64 -4.66 120.40 113.55 1dfi s VAL 108 Ca -0.11 0.15 -0.03 0.00 -2.93 0.00 0.00 61.98 59.05 1dfi s VAL 108 Cb 0.08 -3.07 -0.03 0.00 -1.53 0.00 0.00 36.38 31.83 1dfi s VAL 108 CO 0.87 -0.01 0.03 0.42 -3.33 0.00 0.00 175.10 173.08 1dfi s THR 109 N -1.36 0.20 0.19 5.04 -4.23 -1.26 -5.01 115.64 109.20 1dfi s THR 109 Ca 0.73 -1.66 -0.12 0.00 -1.18 0.00 0.00 61.69 59.47 1dfi s THR 109 Cb -0.38 -1.50 0.10 0.00 1.34 0.00 0.00 72.50 72.06 1dfi s THR 109 CO 0.44 -0.89 1.81 -0.09 -0.54 0.00 0.00 174.62 175.36 1dfi h ARG 110 N 3.03 0.63 -0.30 3.99 2.43 -1.99 -1.08 114.38 121.09 1dfi h ARG 110 Ca -0.34 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 58.68 1dfi h ARG 110 Cb 1.16 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 1dfi h ARG 110 CO 0.63 0.42 -0.24 1.49 -1.51 0.00 0.00 179.97 180.76 1dfi h GLU 111 N 0.65 0.70 -0.58 0.20 4.57 -1.99 -1.13 114.58 117.00 1dfi h GLU 111 Ca 0.25 -0.34 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1dfi h GLU 111 Cb 0.08 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 1dfi h GLU 111 CO -0.13 0.95 0.35 0.78 -1.18 0.00 0.00 179.01 179.78 1dfi h GLY 112 N 0.45 0.83 0.68 1.92 0.00 -1.92 -1.87 103.07 103.16 1dfi h GLY 112 Ca 0.06 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 1dfi h GLY 112 CO 0.06 0.33 -0.00 -2.75 0.00 0.00 0.00 176.54 174.18 1dfi h PHE 113 N 0.79 0.05 -0.37 5.60 3.04 -0.99 -1.77 116.94 123.29 1dfi h PHE 113 Ca 0.21 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.22 1dfi h PHE 113 Cb -0.03 -0.01 -0.07 0.00 2.56 0.00 0.00 35.95 38.40 1dfi h PHE 113 CO 0.00 0.37 -0.05 -0.22 -2.02 0.00 0.00 178.31 176.39 1dfi h LYS 114 N -0.29 0.04 0.06 1.11 3.64 -0.92 -2.09 116.57 118.13 1dfi h LYS 114 Ca 0.01 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1dfi h LYS 114 Cb 0.35 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1dfi h LYS 114 CO 0.00 0.03 -0.03 0.82 -2.27 0.00 0.00 179.45 178.00 1dfi h ILE 115 N 0.04 1.18 -0.56 2.00 2.04 -1.35 0.13 117.51 120.98 1dfi h ILE 115 Ca 0.18 -0.85 0.11 0.00 1.00 0.00 0.00 64.86 65.30 1dfi h ILE 115 Cb 0.26 1.73 -0.09 0.00 -0.74 0.00 0.00 36.82 37.99 1dfi h ILE 115 CO -0.34 0.21 0.05 0.00 0.00 0.00 0.00 178.15 178.07 1dfi h ALA 116 N 0.43 0.60 -0.12 1.87 0.00 -1.18 -0.81 119.26 120.05 1dfi h ALA 116 Ca -0.01 0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 1dfi h ALA 116 Cb 0.41 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1dfi h ALA 116 CO 0.01 -0.35 -0.61 0.45 0.00 0.00 0.00 179.25 178.75 1dfi h HIS 117 N 0.18 0.52 0.23 0.00 3.86 -1.34 -0.06 115.15 118.53 1dfi h HIS 117 Ca 0.29 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1dfi h HIS 117 Cb 0.44 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1dfi h HIS 117 CO -0.29 0.91 -0.11 0.22 0.86 0.00 0.00 177.93 179.51 1dfi h ASP 118 N 0.30 -0.26 0.06 2.45 3.58 -0.04 -1.71 116.42 120.80 1dfi h ASP 118 Ca -0.01 -0.19 -0.29 0.00 0.42 0.00 0.00 57.03 56.97 1dfi h ASP 118 Cb 1.14 0.07 0.03 0.00 1.72 0.00 0.00 39.33 42.28 1dfi h ASP 118 CO 0.10 0.06 -1.16 0.40 -2.88 0.00 0.00 179.24 175.77 1dfi h ILE 119 N -0.60 1.28 0.00 2.25 1.08 -1.25 -2.50 117.51 117.77 1dfi h ILE 119 Ca -0.03 -2.36 -0.14 0.00 -0.39 0.00 0.00 64.86 61.95 1dfi h ILE 119 Cb 0.44 2.55 -0.02 0.00 -3.07 0.00 0.00 36.82 36.71 1dfi h ILE 119 CO 0.05 0.72 -0.69 0.28 -0.69 0.00 0.00 178.15 177.83 1dfi h SER 120 N 0.33 0.00 0.00 1.72 0.02 -1.10 -3.39 113.55 111.13 1dfi h SER 120 Ca -0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1dfi h SER 120 Cb 1.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.36 1dfi h SER 120 CO 0.22 0.63 -0.85 -0.24 -1.14 0.00 0.00 176.83 175.46 1dfi n SER 121 N -3.24 0.08 -0.34 3.07 2.88 -0.73 -4.79 113.62 110.56 1dfi n SER 121 Ca 0.01 0.01 -0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1dfi n SER 121 Cb 0.79 -0.02 0.12 0.00 -0.75 0.00 0.00 64.21 64.35 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 1.13 -1.03 0.66 3.20 -1.19 -2.63 116.97 117.11 1dfi h TYR 122 Ca 0.00 0.03 0.29 0.00 3.14 0.00 0.00 58.73 62.19 1dfi h TYR 122 Cb 0.85 -0.38 -0.05 0.00 1.54 0.00 0.00 36.73 38.69 1dfi h TYR 122 CO 0.00 0.67 0.73 0.66 -1.64 0.00 0.00 178.16 178.57 1dfi h SER 123 N 1.18 0.09 -0.20 -2.11 4.64 -1.64 0.13 113.55 115.64 1dfi h SER 123 Ca 0.36 0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.63 1dfi h SER 123 Cb -0.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1dfi h SER 123 CO -0.11 0.02 -0.13 0.15 -0.87 0.00 0.00 176.83 175.89 1dfi h PHE 124 N 0.09 0.51 0.00 4.77 3.57 -1.77 -1.89 116.94 122.23 1dfi h PHE 124 Ca 0.51 -0.14 -0.14 0.00 3.53 0.00 0.00 57.97 61.73 1dfi h PHE 124 Cb 1.86 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 40.47 1dfi h PHE 124 CO -0.00 0.76 -0.65 -0.24 -2.23 0.00 0.00 178.31 175.95 1dfi h VAL 125 N 0.12 1.23 -0.21 1.41 3.04 -1.24 -2.90 116.25 117.70 1dfi h VAL 125 Ca 0.04 -2.42 0.01 0.00 -1.01 0.00 0.00 66.70 63.32 1dfi h VAL 125 Cb 0.64 2.40 -0.02 0.00 -2.01 0.00 0.00 31.29 32.30 1dfi h VAL 125 CO 0.04 0.64 0.10 0.00 -1.01 0.00 0.00 177.57 177.33 1dfi h ALA 126 N 1.35 0.24 -0.77 3.17 0.00 -0.63 0.11 119.26 122.73 1dfi h ALA 126 Ca -0.01 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1dfi h ALA 126 Cb 1.35 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1dfi h ALA 126 CO 0.08 -0.32 0.29 0.52 0.00 0.00 0.00 179.25 179.83 1dfi h MET 127 N 0.21 1.16 -0.82 0.00 2.86 -1.34 -2.16 114.93 114.85 1dfi h MET 127 Ca 0.08 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 1dfi h MET 127 Cb 0.02 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.46 1dfi h MET 127 CO -0.06 0.96 0.41 0.00 1.06 0.00 0.00 176.91 179.28 1dfi h ALA 128 N 1.15 1.18 -0.68 6.32 0.00 -1.19 -2.11 119.26 123.92 1dfi h ALA 128 Ca 0.25 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1dfi h ALA 128 Cb 0.24 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1dfi h ALA 128 CO -0.02 0.64 0.17 -0.22 0.00 0.00 0.00 179.25 179.82 1dfi h LYS 129 N 1.16 1.09 0.00 0.00 3.64 -0.44 -1.67 116.57 120.34 1dfi h LYS 129 Ca 0.28 -0.25 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1dfi h LYS 129 Cb 0.09 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1dfi h LYS 129 CO -0.04 0.96 -0.22 0.00 -2.27 0.00 0.00 179.45 177.88 1dfi h ALA 130 N 1.14 0.91 -0.07 5.00 0.00 -0.85 -3.30 119.26 122.09 1dfi h ALA 130 Ca 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1dfi h ALA 130 Cb 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1dfi h ALA 130 CO 0.00 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.53 1dfi h ARG 132 N 0.61 0.45 0.00 0.00 2.43 -1.39 0.49 114.38 116.98 1dfi h ARG 132 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1dfi h ARG 132 Cb 0.44 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1dfi h ARG 132 CO 0.00 0.30 0.00 0.66 -1.51 0.00 0.00 179.97 179.42 1dfi h SER 133 N 0.47 0.00 0.34 -3.80 4.64 -1.87 -3.11 113.55 110.22 1dfi h SER 133 Ca 0.65 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.97 1dfi h SER 133 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1dfi h SER 133 CO -0.53 0.00 -0.41 0.23 -0.87 0.00 0.00 176.83 175.25 1dfi n MET 134 N -2.80 0.43 -2.80 4.77 2.81 0.17 -4.90 117.12 114.79 1dfi n MET 134 Ca 0.03 -0.26 -0.41 0.00 -1.81 0.00 0.00 57.70 55.24 1dfi n MET 134 Cb 0.38 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.36 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 -2.75 4.36 0.36 4.03 1.43 -1.09 -0.56 118.68 124.47 1dfi s LEU 135 Ca 0.17 1.54 -0.22 0.00 -1.03 0.00 0.00 54.13 54.59 1dfi s LEU 135 Cb 0.18 -3.43 -0.10 0.00 0.03 0.00 0.00 46.19 42.87 1dfi s LEU 135 CO 0.62 -0.21 0.91 0.20 0.23 0.00 0.00 176.35 178.10 1dfi s ASN 136 N 0.90 7.07 0.29 2.29 0.01 -0.31 -4.91 114.94 120.30 1dfi s ASN 136 Ca 0.48 1.68 -0.29 0.00 -0.71 0.00 0.00 52.86 54.02 1dfi s ASN 136 Cb -0.20 -2.53 -0.13 0.00 0.41 0.00 0.00 41.25 38.80 1dfi s ASN 136 CO 0.25 -0.21 1.18 -0.81 -1.51 0.00 0.00 177.10 176.01 1dfi n PRO 137 N -0.08 1.73 -0.86 -0.60 -0.04 -1.26 -0.80 135.00 133.09 1dfi n PRO 137 Ca 0.04 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 1dfi n PRO 137 Cb 0.52 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 1dfi n PRO 137 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dfi n GLY 138 N 1.23 0.54 3.70 0.55 0.00 0.17 -5.04 105.19 106.34 1dfi n GLY 138 Ca 0.08 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.21 3.39 -0.02 1.61 0.01 0.02 -4.88 113.70 111.61 1dfi s SER 139 Ca 0.00 1.83 -0.01 0.00 1.31 0.00 0.00 55.95 59.08 1dfi s SER 139 Cb 0.00 -2.43 0.02 0.00 0.21 0.00 0.00 66.02 63.82 1dfi s SER 139 CO 0.00 -2.75 0.05 0.00 0.41 0.00 0.00 173.24 170.95 1dfi s ALA 140 N -2.79 -0.03 -0.02 1.44 0.00 -1.16 -1.69 121.76 117.52 1dfi s ALA 140 Ca 0.64 0.27 0.03 0.00 0.00 0.00 0.00 51.96 52.91 1dfi s ALA 140 Cb -0.20 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1dfi s ALA 140 CO 0.58 -0.08 -0.09 -0.51 0.00 0.00 0.00 175.76 175.66 1dfi s LEU 141 N 0.66 3.05 -0.00 0.00 1.43 0.14 -3.12 118.68 120.84 1dfi s LEU 141 Ca -0.05 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1dfi s LEU 141 Cb -0.08 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.43 1dfi s LEU 141 CO -0.02 0.31 -0.01 -0.22 0.23 0.00 0.00 176.35 176.64 1dfi s LEU 142 N -1.19 1.85 0.32 1.79 2.96 -0.94 -1.27 118.68 122.21 1dfi s LEU 142 Ca 0.15 -0.02 0.04 0.00 -0.22 0.00 0.00 54.13 54.08 1dfi s LEU 142 Cb -0.11 -0.08 -0.06 0.00 0.50 0.00 0.00 46.19 46.44 1dfi s LEU 142 CO 0.05 -0.01 0.05 0.28 -1.32 0.00 0.00 176.35 175.40 1dfi s THR 143 N 0.15 1.26 -0.09 3.68 -1.32 -0.88 -0.18 115.64 118.26 1dfi s THR 143 Ca -0.01 -2.01 0.01 0.00 -1.21 0.00 0.00 61.69 58.47 1dfi s THR 143 Cb -0.03 -2.77 -0.02 0.00 -1.51 0.00 0.00 72.50 68.17 1dfi s THR 143 CO -0.00 -0.03 -0.10 -0.76 -2.21 0.00 0.00 174.62 171.51 1dfi s LEU 144 N -3.49 2.92 0.00 9.08 2.01 -1.06 -1.51 118.68 126.64 1dfi s LEU 144 Ca 0.36 -0.17 0.00 0.00 0.01 0.00 0.00 54.13 54.33 1dfi s LEU 144 Cb 0.08 -1.64 0.00 0.00 0.01 0.00 0.00 46.19 44.65 1dfi s LEU 144 CO 0.15 0.28 0.00 -0.24 1.01 0.00 0.00 176.35 177.56 1dfi n SER 145 N 2.74 0.73 -3.62 2.29 2.88 0.28 -4.92 113.62 114.00 1dfi n SER 145 Ca -0.18 -0.98 -0.15 0.00 -1.33 0.00 0.00 58.87 56.24 1dfi n SER 145 Cb 0.53 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.92 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 -1.60 -0.41 0.43 0.66 5.04 -1.26 -2.11 117.35 118.09 1dfi s TYR 146 Ca 0.00 0.62 0.23 0.00 -2.44 0.00 0.00 57.07 55.47 1dfi s TYR 146 Cb 0.00 0.28 1.22 0.00 0.35 0.00 0.00 41.96 43.80 1dfi s TYR 146 CO 0.00 -0.54 1.78 1.25 -1.34 0.00 0.00 175.55 176.70 1dfi h LEU 147 N 3.22 0.33 -1.07 6.97 5.85 -1.91 -0.23 115.31 128.47 1dfi h LEU 147 Ca -0.29 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1dfi h LEU 147 Cb 1.17 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1dfi h LEU 147 CO 0.40 0.06 0.35 1.23 -0.34 0.00 0.00 178.44 180.15 1dfi h GLY 148 N 0.29 0.00 1.95 3.75 0.00 -1.94 0.53 103.07 107.65 1dfi h GLY 148 Ca 0.58 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.77 1dfi h GLY 148 CO -0.23 0.00 -0.69 0.00 0.00 0.00 0.00 176.54 175.62 1dfi h ALA 149 N 1.13 0.84 0.00 3.60 0.00 -1.20 -3.34 119.26 120.30 1dfi h ALA 149 Ca 0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 54.91 54.22 1dfi h ALA 149 Cb 0.71 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1dfi h ALA 149 CO 0.00 0.84 -1.85 0.39 0.00 0.00 0.00 179.25 178.63 1dfi n GLU 150 N -3.74 0.75 -4.27 0.00 1.02 0.18 -4.52 120.64 110.06 1dfi n GLU 150 Ca -0.01 -0.12 -0.16 0.00 -0.02 0.00 0.00 57.16 56.85 1dfi n GLU 150 Cb 0.67 -1.40 -0.10 0.00 -0.02 0.00 0.00 31.44 30.59 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 -2.96 1.11 -0.26 3.49 1.81 -0.65 -5.11 118.95 116.38 1dfi s ARG 151 Ca -0.07 -1.41 -0.28 0.00 -1.72 0.00 0.00 55.73 52.26 1dfi s ARG 151 Cb 0.09 -0.82 0.01 0.00 -0.45 0.00 0.00 34.95 33.78 1dfi s ARG 151 CO 0.69 0.13 0.98 0.00 -0.68 0.00 0.00 175.30 176.42 1dfi s ALA 152 N -2.85 3.63 -0.17 2.13 0.00 -1.26 -4.31 121.76 118.93 1dfi s ALA 152 Ca 0.15 0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.14 1dfi s ALA 152 Cb -0.01 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.63 1dfi s ALA 152 CO 0.03 -1.12 -0.18 0.42 0.00 0.00 0.00 175.76 174.91 1dfi s ILE 153 N 3.19 2.31 0.10 0.00 1.01 -1.26 -5.07 121.20 121.48 1dfi s ILE 153 Ca 0.41 -0.87 -0.36 0.00 0.00 0.00 0.00 60.65 59.83 1dfi s ILE 153 Cb -0.14 -1.97 -0.17 0.00 0.01 0.00 0.00 42.46 40.19 1dfi s ILE 153 CO 0.09 0.53 1.21 -2.65 0.00 0.00 0.00 174.94 174.12 1dfi n PRO 154 N 4.38 0.94 0.00 2.79 -0.02 -1.26 -0.46 135.00 141.37 1dfi n PRO 154 Ca -0.20 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1dfi n PRO 154 Cb 0.51 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 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 2.19 0.00 0.16 2.55 3.02 -1.26 -4.73 115.26 117.19 1dfi n ASN 155 Ca 0.18 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.75 1dfi n ASN 155 Cb 0.19 -0.49 0.26 0.00 -0.61 0.00 0.00 39.78 39.14 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 0.00 0.00 3.10 3.20 -1.06 -3.41 116.97 118.80 1dfi h TYR 156 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1dfi h TYR 156 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1dfi h TYR 156 CO 0.00 0.48 0.00 0.09 -1.64 0.00 0.00 178.16 177.09 1dfi n ASN 157 N -3.67 0.00 0.32 -2.11 3.02 -1.24 -1.06 115.26 110.53 1dfi n ASN 157 Ca -0.01 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.70 1dfi n ASN 157 Cb 0.55 0.00 0.85 0.00 -0.61 0.00 0.00 39.78 40.57 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 -0.01 2.41 3.04 -1.88 0.97 116.25 120.78 1dfi h VAL 158 Ca 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.60 1dfi h VAL 158 Cb 0.00 0.69 -0.01 0.00 -2.01 0.00 0.00 31.29 29.95 1dfi h VAL 158 CO 0.00 0.00 -0.44 0.24 -1.01 0.00 0.00 177.57 176.36 1dfi h MET 159 N 0.00 0.02 -0.71 4.17 2.86 -1.46 -1.98 114.93 117.83 1dfi h MET 159 Ca 0.00 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 1dfi h MET 159 Cb 0.55 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.16 1dfi h MET 159 CO 0.00 0.45 0.45 0.78 1.06 0.00 0.00 176.91 179.65 1dfi h GLY 160 N 1.31 1.02 1.64 8.32 0.00 -0.79 -1.53 103.07 113.04 1dfi h GLY 160 Ca -0.00 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 46.88 1dfi h GLY 160 CO 0.06 0.30 -0.35 1.41 0.00 0.00 0.00 176.54 177.95 1dfi h LEU 161 N 0.89 0.42 -0.63 3.11 4.07 -1.47 -2.44 115.31 119.25 1dfi h LEU 161 Ca 0.28 -0.17 -0.12 0.00 0.08 0.00 0.00 57.88 57.95 1dfi h LEU 161 Cb -0.00 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.61 1dfi h LEU 161 CO -0.10 0.74 -0.25 0.00 -1.08 0.00 0.00 178.44 177.76 1dfi h ALA 162 N 1.28 0.82 -0.08 1.53 0.00 -0.86 -2.54 119.26 119.41 1dfi h ALA 162 Ca 0.04 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.41 1dfi h ALA 162 Cb 0.78 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1dfi h ALA 162 CO 0.06 0.64 -0.62 0.87 0.00 0.00 0.00 179.25 180.20 1dfi h LYS 163 N 0.70 0.28 -0.12 0.00 1.79 -1.23 -0.97 116.57 117.01 1dfi h LYS 163 Ca 0.09 -0.20 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 1dfi h LYS 163 Cb 0.78 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.45 1dfi h LYS 163 CO 0.06 0.81 0.05 0.00 -1.08 0.00 0.00 179.45 179.29 1dfi h ALA 164 N 1.14 0.16 -0.65 3.86 0.00 -1.36 0.19 119.26 122.59 1dfi h ALA 164 Ca -0.01 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1dfi h ALA 164 Cb 1.14 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1dfi h ALA 164 CO 0.10 -0.25 0.32 1.03 0.00 0.00 0.00 179.25 180.45 1dfi h SER 165 N 0.03 0.43 -0.40 0.00 0.87 -1.34 -0.97 113.55 112.17 1dfi h SER 165 Ca 0.04 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 1dfi h SER 165 Cb 0.18 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 1dfi h SER 165 CO -0.00 0.26 0.22 0.25 -0.53 0.00 0.00 176.83 177.03 1dfi h LEU 166 N 0.57 0.51 -1.50 2.23 5.85 -0.81 0.78 115.31 122.94 1dfi h LEU 166 Ca 0.31 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1dfi h LEU 166 Cb 0.29 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1dfi h LEU 166 CO -0.24 0.46 0.10 -0.33 -0.34 0.00 0.00 178.44 178.09 1dfi h GLU 167 N 0.52 0.43 -0.31 1.25 5.08 0.25 -0.91 114.58 120.88 1dfi h GLU 167 Ca 0.14 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.30 1dfi h GLU 167 Cb 0.07 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1dfi h GLU 167 CO -0.02 0.38 -0.41 0.00 -1.00 0.00 0.00 179.01 177.96 1dfi h ALA 168 N 1.69 0.69 -0.53 3.43 0.00 -0.51 -2.83 119.26 121.20 1dfi h ALA 168 Ca 0.11 -0.46 0.06 0.00 0.00 0.00 0.00 54.91 54.62 1dfi h ALA 168 Cb 0.12 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1dfi h ALA 168 CO -0.01 0.67 0.23 -0.97 0.00 0.00 0.00 179.25 179.16 1dfi h ASN 169 N 0.62 0.28 -0.42 0.00 -0.73 0.26 0.12 115.58 115.71 1dfi h ASN 169 Ca 0.05 0.05 0.08 0.00 1.87 0.00 0.00 56.30 58.35 1dfi h ASN 169 Cb 0.97 0.01 -0.07 0.00 0.27 0.00 0.00 38.32 39.49 1dfi h ASN 169 CO 0.09 0.19 -0.02 0.58 -0.37 0.00 0.00 177.43 177.90 1dfi h VAL 170 N 0.43 0.65 -0.04 2.57 2.07 -0.98 0.45 116.25 121.41 1dfi h VAL 170 Ca 0.25 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.74 1dfi h VAL 170 Cb 0.22 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1dfi h VAL 170 CO -0.22 0.01 0.01 0.03 0.02 0.00 0.00 177.57 177.43 1dfi h ARG 171 N 0.08 0.06 -0.88 1.57 3.08 -1.06 0.16 114.38 117.39 1dfi h ARG 171 Ca 0.21 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 1dfi h ARG 171 Cb 0.31 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 1dfi h ARG 171 CO -0.37 0.20 0.48 1.88 -1.07 0.00 0.00 179.97 181.09 1dfi h TYR 172 N -0.10 1.20 -0.44 3.04 -1.99 -0.40 -1.77 116.97 116.52 1dfi h TYR 172 Ca 0.01 -0.03 -0.12 0.00 2.00 0.00 0.00 58.73 60.59 1dfi h TYR 172 Cb 0.16 -0.38 -0.01 0.00 2.00 0.00 0.00 36.73 38.50 1dfi h TYR 172 CO -0.02 0.83 -0.20 0.52 -0.00 0.00 0.00 178.16 179.29 1dfi h MET 173 N 1.22 0.91 -0.70 4.88 2.86 0.05 -1.73 114.93 122.43 1dfi h MET 173 Ca 0.31 -0.39 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1dfi h MET 173 Cb 0.02 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 1dfi h MET 173 CO -0.05 1.04 0.32 0.00 1.06 0.00 0.00 176.91 179.28 1dfi h ALA 174 N 0.84 1.25 0.00 6.32 0.00 -0.76 -0.27 119.26 126.65 1dfi h ALA 174 Ca 0.10 -0.15 -0.22 0.00 0.00 0.00 0.00 54.91 54.64 1dfi h ALA 174 Cb 0.77 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1dfi h ALA 174 CO 0.06 0.57 -0.92 -0.97 0.00 0.00 0.00 179.25 177.99 1dfi h ASN 175 N 0.99 0.42 -0.12 0.00 -0.73 -1.19 -2.37 115.58 112.58 1dfi h ASN 175 Ca 0.24 -0.34 -0.23 0.00 1.87 0.00 0.00 56.30 57.83 1dfi h ASN 175 Cb 0.13 -0.13 0.01 0.00 0.27 0.00 0.00 38.32 38.60 1dfi h ASN 175 CO -0.03 1.15 -0.84 0.00 -0.37 0.00 0.00 177.43 177.34 1dfi h ALA 176 N 0.82 0.27 0.00 1.57 0.00 -1.00 -3.35 119.26 117.57 1dfi h ALA 176 Ca -0.07 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1dfi h ALA 176 Cb 1.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1dfi h ALA 176 CO 0.15 0.69 -0.90 -1.33 0.00 0.00 0.00 179.25 177.86 1dfi n MET 177 N -3.92 0.09 -0.07 0.00 2.81 -0.14 -4.43 117.12 111.46 1dfi n MET 177 Ca -0.08 -0.01 -0.07 0.00 -1.81 0.00 0.00 57.70 55.73 1dfi n MET 177 Cb 0.78 -1.52 -0.01 0.00 -0.71 0.00 0.00 33.22 31.76 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 4.86 0.28 0.90 3.03 0.00 -1.42 -2.08 103.07 108.64 1dfi h GLY 178 Ca 0.00 0.01 0.14 0.00 0.00 0.00 0.00 47.33 47.48 1dfi h GLY 178 CO 0.00 -0.03 0.41 -2.55 0.00 0.00 0.00 176.54 174.37 1dfi h PRO 179 N 0.12 0.00 -0.30 4.80 0.11 -1.80 0.36 132.00 135.28 1dfi h PRO 179 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1dfi h PRO 179 Cb 0.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.26 1dfi h PRO 179 CO -0.19 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 177.99 1dfi n GLU 180 N -4.05 1.93 -0.29 1.05 1.02 -0.83 -4.92 120.64 114.55 1dfi n GLU 180 Ca 0.09 -1.43 0.00 0.00 -0.02 0.00 0.00 57.16 55.80 1dfi n GLU 180 Cb 0.62 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 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 1.20 0.85 3.65 0.62 0.00 0.13 -4.61 105.19 107.03 1dfi n GLY 181 Ca 0.16 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 4.34 0.08 1.61 1.01 -0.95 -0.66 120.40 123.84 1dfi s VAL 182 Ca 0.00 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.80 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 0.57 0.03 -0.13 0.00 0.00 0.00 175.10 175.57 1dfi s ARG 183 N -0.55 2.69 -0.03 2.72 0.52 -0.68 -3.33 118.95 120.29 1dfi s ARG 183 Ca 0.09 -0.77 -0.01 0.00 -0.52 0.00 0.00 55.73 54.53 1dfi s ARG 183 Cb -0.12 -2.62 0.03 0.00 0.52 0.00 0.00 34.95 32.76 1dfi s ARG 183 CO 0.02 0.55 0.03 0.08 0.02 0.00 0.00 175.30 176.01 1dfi s VAL 184 N -1.34 0.02 0.34 3.52 1.01 -1.26 0.26 120.40 122.96 1dfi s VAL 184 Ca 0.27 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.54 1dfi s VAL 184 Cb -0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 36.06 1dfi s VAL 184 CO 0.20 0.15 0.38 0.20 0.00 0.00 0.00 175.10 176.02 1dfi s ASN 185 N 1.51 1.41 0.03 3.32 0.01 -0.39 0.19 114.94 121.03 1dfi s ASN 185 Ca -0.03 -1.67 -0.02 0.00 -0.71 0.00 0.00 52.86 50.43 1dfi s ASN 185 Cb -0.13 0.62 -0.02 0.00 0.41 0.00 0.00 41.25 42.12 1dfi s ASN 185 CO -0.03 -1.19 0.00 0.00 -1.51 0.00 0.00 177.10 174.38 1dfi s ALA 186 N -3.20 0.21 -0.15 0.60 0.00 0.10 -2.07 121.76 117.25 1dfi s ALA 186 Ca 0.36 -0.79 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 1dfi s ALA 186 Cb 0.01 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 1dfi s ALA 186 CO 0.25 -0.27 -0.08 0.42 0.00 0.00 0.00 175.76 176.08 1dfi s ILE 187 N -2.58 3.50 -0.50 0.00 1.01 -0.57 -0.35 121.20 121.71 1dfi s ILE 187 Ca -0.05 -0.50 -0.15 0.00 0.00 0.00 0.00 60.65 59.95 1dfi s ILE 187 Cb -0.02 -2.51 0.10 0.00 0.01 0.00 0.00 42.46 40.05 1dfi s ILE 187 CO -0.05 0.50 0.43 -0.55 0.00 0.00 0.00 174.94 175.27 1dfi s SER 188 N 0.41 6.09 0.19 3.58 0.15 0.79 0.99 113.70 125.91 1dfi s SER 188 Ca -0.07 -1.60 -0.12 0.00 0.70 0.00 0.00 55.95 54.87 1dfi s SER 188 Cb -0.15 -2.16 -0.07 0.00 -1.71 0.00 0.00 66.02 61.92 1dfi s SER 188 CO 0.04 -0.74 0.55 0.00 1.20 0.00 0.00 173.24 174.29 1dfi s ALA 189 N 1.58 3.57 0.90 5.45 0.00 -0.90 -1.11 121.76 131.25 1dfi s ALA 189 Ca 0.04 -0.21 -0.11 0.00 0.00 0.00 0.00 51.96 51.67 1dfi s ALA 189 Cb -0.27 -2.47 0.18 0.00 0.00 0.00 0.00 23.12 20.56 1dfi s ALA 189 CO 0.04 0.48 1.23 0.20 0.00 0.00 0.00 175.76 177.72 1dfi s GLY 190 N -2.08 1.78 0.50 0.00 0.00 -0.71 -4.49 107.32 102.33 1dfi s GLY 190 Ca 0.43 -1.39 -0.23 0.00 0.00 0.00 0.00 44.72 43.52 1dfi s GLY 190 CO 0.20 -0.67 1.37 -1.05 0.00 0.00 0.00 173.10 172.95 1dfi n PRO 191 N -3.50 1.92 -4.98 2.90 -0.02 -1.26 -4.91 135.00 125.15 1dfi n PRO 191 Ca 0.16 0.69 -0.32 0.00 -2.02 0.00 0.00 63.50 62.00 1dfi n PRO 191 Cb 0.60 -2.57 -0.15 0.00 -0.02 0.00 0.00 33.50 31.35 1dfi n PRO 191 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1dfi s ILE 192 N -1.25 2.61 0.09 4.25 1.01 -1.26 -4.15 121.20 122.51 1dfi s ILE 192 Ca 0.66 -0.82 -0.30 0.00 0.00 0.00 0.00 60.65 60.19 1dfi s ILE 192 Cb -0.44 -2.05 -0.13 0.00 0.01 0.00 0.00 42.46 39.84 1dfi s ILE 192 CO 0.53 0.54 1.62 -0.09 0.00 0.00 0.00 174.94 177.55 1dfi h ARG 193 N 6.65 -0.67 0.00 2.79 2.43 -1.93 -3.11 114.38 120.54 1dfi h ARG 193 Ca -0.24 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.97 1dfi h ARG 193 Cb 1.22 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.92 1dfi h ARG 193 CO 0.52 -0.44 -0.03 1.79 -1.51 0.00 0.00 179.97 180.29 1dfi h THR 194 N -0.69 0.94 0.00 0.20 1.35 -1.96 -3.53 112.91 109.21 1dfi h THR 194 Ca -0.02 -0.11 -0.13 0.00 -0.55 0.00 0.00 66.41 65.60 1dfi h THR 194 Cb 0.62 1.06 -0.02 0.00 -1.73 0.00 0.00 68.15 68.07 1dfi h THR 194 CO -0.04 0.03 -1.32 -0.11 -0.25 0.00 0.00 175.52 173.83 1dfi n LEU 195 N -4.38 0.85 0.00 3.87 7.94 -1.18 -5.06 117.00 119.04 1dfi n LEU 195 Ca -0.03 0.36 0.00 0.00 -1.11 0.00 0.00 56.01 55.24 1dfi n LEU 195 Cb 0.12 0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.11 1dfi n LEU 195 CO 0.33 0.07 0.00 0.80 -1.11 0.00 0.00 177.39 177.48 1dfi n MET 206 N -2.84 0.00 -0.18 1.96 0.00 -1.26 -4.89 117.12 109.92 1dfi n MET 206 Ca -0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 57.70 57.59 1dfi n MET 206 Cb 0.77 -0.25 0.17 0.00 0.00 0.00 0.00 33.22 33.92 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 0.86 -0.99 -0.89 3.38 -2.02 -0.70 115.31 114.95 1dfi h LEU 207 Ca 0.00 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1dfi h LEU 207 Cb 0.00 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1dfi h LEU 207 CO 0.00 0.79 -0.14 0.00 0.09 0.00 0.00 178.44 179.18 1dfi h ALA 208 N 1.33 0.99 -0.02 1.53 0.00 -2.05 0.85 119.26 121.90 1dfi h ALA 208 Ca 0.21 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1dfi h ALA 208 Cb 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1dfi h ALA 208 CO -0.01 0.18 -0.19 1.25 0.00 0.00 0.00 179.25 180.47 1dfi h HIS 209 N 0.00 0.22 -1.01 0.00 -0.00 -1.87 -1.20 115.15 111.29 1dfi h HIS 209 Ca -0.00 -0.11 0.06 0.00 -0.00 0.00 0.00 60.37 60.32 1dfi h HIS 209 Cb 0.75 -0.03 -0.06 0.00 -0.00 0.00 0.00 27.41 28.07 1dfi h HIS 209 CO 0.00 0.87 0.65 0.00 -0.00 0.00 0.00 177.93 179.45 1dfi h GLU 211 N 1.21 0.65 0.00 0.00 5.08 -0.80 -1.28 114.58 119.44 1dfi h GLU 211 Ca 0.42 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1dfi h GLU 211 Cb 0.12 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1dfi h GLU 211 CO -0.16 1.09 -0.01 0.00 -1.00 0.00 0.00 179.01 178.92 1dfi h ALA 212 N 0.80 1.02 0.00 3.43 0.00 -0.40 -3.00 119.26 121.11 1dfi h ALA 212 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1dfi h ALA 212 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1dfi h ALA 212 CO 0.13 0.02 -0.68 0.28 0.00 0.00 0.00 179.25 178.99 1dfi n VAL 213 N -3.13 0.00 -3.04 0.00 0.31 -0.58 -4.92 118.33 106.97 1dfi n VAL 213 Ca -0.01 -0.17 -0.40 0.00 -0.01 0.00 0.00 64.34 63.75 1dfi n VAL 213 Cb 0.21 0.99 -0.05 0.00 -0.91 0.00 0.00 33.84 34.08 1dfi n VAL 213 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1dfi s THR 214 N -2.35 5.03 0.26 2.52 2.01 -0.50 -4.83 115.64 117.77 1dfi s THR 214 Ca 0.05 1.44 -0.02 0.00 0.31 0.00 0.00 61.69 63.47 1dfi s THR 214 Cb 0.11 -4.04 0.26 0.00 0.01 0.00 0.00 72.50 68.83 1dfi s THR 214 CO 0.58 0.21 1.68 -0.65 -0.69 0.00 0.00 174.62 175.76 1dfi h PRO 215 N 6.90 0.29 0.00 4.92 0.11 -1.83 1.52 132.00 143.90 1dfi h PRO 215 Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1dfi h PRO 215 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1dfi h PRO 215 CO 0.77 0.19 0.00 0.44 -0.21 0.00 0.00 178.00 179.19 1dfi n ILE 216 N -5.14 0.21 -3.09 4.15 -5.35 -1.22 -4.92 119.36 104.00 1dfi n ILE 216 Ca 0.17 0.05 -0.19 0.00 -0.27 0.00 0.00 62.75 62.51 1dfi n ILE 216 Cb 0.53 -0.65 0.04 0.00 -1.74 0.00 0.00 39.64 37.82 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 -1.28 -5.05 -3.61 6.28 5.12 0.52 -4.99 116.66 113.65 1dfi n ARG 217 Ca 0.12 0.72 -0.04 0.00 -1.93 0.00 0.00 57.85 56.71 1dfi n ARG 217 Cb 0.20 -5.27 -0.02 0.00 -1.16 0.00 0.00 32.46 26.21 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 -5.73 0.75 0.45 5.56 1.70 -1.26 -4.88 118.95 115.55 1dfi s ARG 218 Ca 0.34 -0.35 -0.07 0.00 -0.47 0.00 0.00 55.73 55.18 1dfi s ARG 218 Cb -0.15 0.30 -0.05 0.00 -0.57 0.00 0.00 34.95 34.48 1dfi s ARG 218 CO 0.42 -0.34 0.78 0.95 -1.08 0.00 0.00 175.30 176.04 1dfi s THR 219 N -2.90 4.86 0.67 4.99 -4.23 -1.26 -4.87 115.64 112.89 1dfi s THR 219 Ca 0.09 0.38 -0.11 0.00 -1.18 0.00 0.00 61.69 60.88 1dfi s THR 219 Cb -0.00 -3.81 -0.01 0.00 1.34 0.00 0.00 72.50 70.02 1dfi s THR 219 CO -0.04 -0.72 1.05 0.68 -0.54 0.00 0.00 174.62 175.05 1dfi s VAL 220 N -2.60 4.18 0.40 2.29 -7.23 -1.26 -4.96 120.40 111.22 1dfi s VAL 220 Ca 0.49 0.73 0.08 0.00 -1.81 0.00 0.00 61.98 61.46 1dfi s VAL 220 Cb -0.10 -3.51 -0.04 0.00 0.56 0.00 0.00 36.38 33.29 1dfi s VAL 220 CO 0.40 -0.91 0.25 0.42 -0.31 0.00 0.00 175.10 174.95 1dfi s THR 221 N -3.04 2.65 0.38 5.32 -4.23 -1.26 -4.47 115.64 110.98 1dfi s THR 221 Ca 0.58 -1.55 0.35 0.00 -1.18 0.00 0.00 61.69 59.89 1dfi s THR 221 Cb -0.13 -3.01 0.38 0.00 1.34 0.00 0.00 72.50 71.08 1dfi s THR 221 CO 0.54 -0.05 2.14 0.16 -0.54 0.00 0.00 174.62 176.87 1dfi h ILE 222 N 1.29 0.17 -0.14 2.99 3.07 -1.95 -0.70 117.51 122.24 1dfi h ILE 222 Ca -0.43 -0.36 -0.09 0.00 1.55 0.00 0.00 64.86 65.53 1dfi h ILE 222 Cb 1.26 1.30 0.00 0.00 -0.27 0.00 0.00 36.82 39.11 1dfi h ILE 222 CO 0.63 0.04 -0.27 -0.33 -1.05 0.00 0.00 178.15 177.17 1dfi h GLU 223 N 0.00 0.43 -0.33 0.16 3.07 -1.95 0.40 114.58 116.37 1dfi h GLU 223 Ca -0.00 -0.27 0.04 0.00 -0.50 0.00 0.00 59.36 58.63 1dfi h GLU 223 Cb 0.30 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.20 1dfi h GLU 223 CO 0.01 0.87 0.08 -0.44 -1.40 0.00 0.00 179.01 178.13 1dfi h ASP 224 N 0.04 0.05 -0.30 1.42 3.32 -1.71 0.45 116.42 119.69 1dfi h ASP 224 Ca 0.01 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 1dfi h ASP 224 Cb 0.86 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 1dfi h ASP 224 CO 0.06 0.06 -0.03 0.58 -1.72 0.00 0.00 179.24 178.20 1dfi h VAL 225 N 0.20 1.27 -0.70 -1.35 2.07 -1.02 -2.50 116.25 114.22 1dfi h VAL 225 Ca 0.15 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 1dfi h VAL 225 Cb 0.16 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1dfi h VAL 225 CO -0.19 0.32 0.33 1.23 0.02 0.00 0.00 177.57 179.29 1dfi h GLY 226 N 0.34 1.07 0.99 2.17 0.00 0.29 0.06 103.07 107.99 1dfi h GLY 226 Ca 0.08 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 46.83 1dfi h GLY 226 CO 0.02 0.49 0.05 3.43 0.00 0.00 0.00 176.54 180.53 1dfi h ASN 227 N 0.99 0.82 -0.63 0.19 2.35 0.01 -0.68 115.58 118.64 1dfi h ASN 227 Ca 0.24 -0.28 -0.07 0.00 -0.55 0.00 0.00 56.30 55.65 1dfi h ASN 227 Cb 0.10 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 1dfi h ASN 227 CO -0.03 0.89 0.13 0.28 -1.65 0.00 0.00 177.43 177.06 1dfi h SER 228 N 0.72 1.00 -0.51 5.81 0.02 -1.11 -2.30 113.55 117.16 1dfi h SER 228 Ca 0.15 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 1dfi h SER 228 Cb 0.44 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1dfi h SER 228 CO 0.02 0.97 0.24 0.00 -1.14 0.00 0.00 176.83 176.92 1dfi h ALA 229 N 1.15 0.66 -0.53 3.77 0.00 -0.67 -1.31 119.26 122.32 1dfi h ALA 229 Ca 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1dfi h ALA 229 Cb 0.39 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1dfi h ALA 229 CO 0.01 0.23 0.35 0.00 0.00 0.00 0.00 179.25 179.83 1dfi h ALA 230 N 1.08 0.68 -0.10 0.00 0.00 -0.90 -1.08 119.26 118.94 1dfi h ALA 230 Ca 0.18 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1dfi h ALA 230 Cb 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1dfi h ALA 230 CO -0.02 0.12 0.02 0.35 0.00 0.00 0.00 179.25 179.72 1dfi h PHE 231 N 0.72 0.04 0.00 0.00 3.57 -1.22 -1.69 116.94 118.36 1dfi h PHE 231 Ca 0.19 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1dfi h PHE 231 Cb -0.08 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.66 1dfi h PHE 231 CO -0.04 0.02 0.00 -0.07 -2.23 0.00 0.00 178.31 175.99 1dfi h LEU 232 N 0.07 0.00 -1.83 0.59 3.38 -0.75 -0.51 115.31 116.26 1dfi h LEU 232 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1dfi h LEU 232 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1dfi h LEU 232 CO -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 178.44 178.45 1dfi s SER 234 N -1.91 5.73 0.00 0.00 1.04 -0.20 -4.70 113.70 113.67 1dfi s SER 234 Ca 0.26 0.02 0.20 0.00 0.48 0.00 0.00 55.95 56.91 1dfi s SER 234 Cb 0.19 -1.22 0.97 0.00 0.10 0.00 0.00 66.02 66.06 1dfi s SER 234 CO 0.30 -0.73 1.62 0.47 0.98 0.00 0.00 173.24 175.88 1dfi n ASP 235 N -1.99 0.00 0.28 7.02 8.00 -1.26 -2.31 116.55 126.29 1dfi n ASP 235 Ca 0.03 0.08 0.16 0.00 0.71 0.00 0.00 54.79 55.77 1dfi n ASP 235 Cb 0.58 -0.32 0.82 0.00 -0.02 0.00 0.00 41.12 42.18 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 -3.65 0.64 3.38 -1.89 -2.62 115.31 111.16 1dfi h LEU 236 Ca 0.00 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.58 1dfi h LEU 236 Cb 0.21 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.73 1dfi h LEU 236 CO 0.00 0.07 0.11 -1.54 0.09 0.00 0.00 178.44 177.17 1dfi n SER 237 N -3.43 4.00 0.31 -0.43 3.41 -0.98 -4.70 113.62 111.81 1dfi n SER 237 Ca -0.02 -3.76 0.18 0.00 -0.26 0.00 0.00 58.87 55.02 1dfi n SER 237 Cb 0.22 -0.69 1.04 0.00 -0.26 0.00 0.00 64.21 64.51 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 1.36 1.31 -0.01 7.33 0.00 -1.65 -0.77 119.26 126.82 1dfi h ALA 238 Ca 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1dfi h ALA 238 Cb 1.72 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1dfi h ALA 238 CO 0.80 0.00 -0.02 0.41 0.00 0.00 0.00 179.25 180.44 1dfi n GLY 239 N -1.21 -0.24 3.28 0.00 0.00 -1.26 -4.85 105.19 100.92 1dfi n GLY 239 Ca -0.03 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.05 3.06 -0.08 -0.61 1.01 -0.30 -5.10 121.20 117.14 1dfi s ILE 240 Ca 0.39 -0.61 -0.17 0.00 0.00 0.00 0.00 60.65 60.26 1dfi s ILE 240 Cb 0.21 -2.36 0.04 0.00 0.01 0.00 0.00 42.46 40.36 1dfi s ILE 240 CO 0.36 0.46 0.41 -0.55 0.00 0.00 0.00 174.94 175.62 1dfi s SER 241 N 1.25 -0.37 -0.34 3.58 0.15 -1.26 -4.74 113.70 111.97 1dfi s SER 241 Ca 0.03 0.52 0.00 0.00 0.70 0.00 0.00 55.95 57.19 1dfi s SER 241 Cb -0.14 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 1dfi s SER 241 CO -0.04 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.67 1dfi n GLY 242 N 1.91 0.62 3.91 9.45 0.00 0.13 -4.96 105.19 116.25 1dfi n GLY 242 Ca -0.18 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.67 3.46 -0.39 1.61 2.56 -1.25 -4.62 118.70 118.39 1dfi s GLU 243 Ca 0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 54.97 54.60 1dfi s GLU 243 Cb 0.00 -3.07 0.08 0.00 2.00 0.00 0.00 34.13 33.14 1dfi s GLU 243 CO 0.00 0.65 0.19 0.08 -0.56 0.00 0.00 175.26 175.62 1dfi s VAL 244 N -1.38 3.67 -0.14 3.70 1.01 -1.26 -0.72 120.40 125.29 1dfi s VAL 244 Ca 0.30 -1.62 -0.18 0.00 0.00 0.00 0.00 61.98 60.48 1dfi s VAL 244 Cb -0.13 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 1dfi s VAL 244 CO 0.21 -0.49 0.46 -0.69 0.00 0.00 0.00 175.10 174.58 1dfi s VAL 245 N 1.30 5.19 -0.29 2.92 1.01 0.53 -4.83 120.40 126.22 1dfi s VAL 245 Ca 0.03 0.90 -0.21 0.00 0.00 0.00 0.00 61.98 62.70 1dfi s VAL 245 Cb -0.22 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1dfi s VAL 245 CO -0.01 0.31 0.67 -1.00 0.00 0.00 0.00 175.10 175.07 1dfi s HIS 246 N 0.75 3.23 -0.78 5.22 3.76 -1.26 -0.15 115.29 126.06 1dfi s HIS 246 Ca 0.24 0.71 0.02 0.00 -0.15 0.00 0.00 55.06 55.89 1dfi s HIS 246 Cb -0.15 -3.00 0.21 0.00 1.11 0.00 0.00 32.58 30.76 1dfi s HIS 246 CO 0.09 -0.45 0.71 0.28 -0.85 0.00 0.00 174.74 174.52 1dfi n VAL 247 N 5.36 2.49 -2.09 -0.90 0.31 -0.27 -4.72 118.33 118.51 1dfi n VAL 247 Ca 0.00 -5.10 0.01 0.00 -0.01 0.00 0.00 64.34 59.24 1dfi n VAL 247 Cb 0.49 -2.23 0.00 0.00 -0.91 0.00 0.00 33.84 31.19 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 1.78 0.17 -0.80 4.52 5.75 -1.26 -1.73 116.55 124.99 1dfi n ASP 248 Ca 0.23 -1.97 -0.10 0.00 -0.01 0.00 0.00 54.79 52.94 1dfi n ASP 248 Cb 0.37 -0.21 -0.04 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 0.09 1.11 1.36 6.12 0.00 -1.26 -2.29 105.19 110.32 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 -0.84 0.75 0.27 -0.02 0.00 -1.26 -3.41 105.19 100.68 1dfi n GLY 250 Ca -0.10 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 3.04 -1.78 -2.28 116.94 117.79 1dfi h PHE 251 Ca 0.00 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1dfi h PHE 251 Cb 0.00 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1dfi h PHE 251 CO 0.00 -0.09 0.00 0.66 -2.02 0.00 0.00 178.31 176.86 1dfi h SER 252 N 0.26 0.00 -0.52 0.41 4.64 -1.93 -3.09 113.55 113.32 1dfi h SER 252 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1dfi h SER 252 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1dfi h SER 252 CO -0.51 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 177.75 1dfi n ILE 253 N -2.71 0.69 -3.89 0.95 -6.64 -0.86 -4.92 119.36 101.98 1dfi n ILE 253 Ca 0.01 -0.83 -0.21 0.00 -1.77 0.00 0.00 62.75 59.95 1dfi n ILE 253 Cb 0.28 0.76 -0.04 0.00 -1.44 0.00 0.00 39.64 39.20 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 -1.31 3.76 -0.27 -1.28 0.00 -1.17 -5.14 121.76 116.34 1dfi s ALA 254 Ca 0.43 -1.64 -0.23 0.00 0.00 0.00 0.00 51.96 50.52 1dfi s ALA 254 Cb 0.24 -1.14 0.08 0.00 0.00 0.00 0.00 23.12 22.29 1dfi s ALA 254 CO 0.32 0.05 0.75 0.00 0.00 0.00 0.00 175.76 176.87 1dfi s ALA 255 N -2.29 -1.83 -0.94 0.00 0.00 -1.26 -4.95 121.76 110.49 1dfi s ALA 255 Ca 0.39 2.10 0.00 0.00 0.00 0.00 0.00 51.96 54.45 1dfi s ALA 255 Cb -0.06 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 21.80 1dfi s ALA 255 CO 0.26 -0.34 0.00 -1.33 0.00 0.00 0.00 175.76 174.35 1dfi n MET 256 N 2.99 -0.66 -1.95 0.00 2.81 -1.26 -4.98 117.12 114.07 1dfi n MET 256 Ca -0.15 0.80 -0.42 0.00 -1.81 0.00 0.00 57.70 56.12 1dfi n MET 256 Cb 0.56 -4.68 -0.02 0.00 -0.71 0.00 0.00 33.22 28.36 1dfi n MET 256 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1dfi s ASN 257 N -2.86 6.59 0.00 7.83 0.02 -1.26 -5.24 114.94 120.02 1dfi s ASN 257 Ca 0.00 2.70 0.00 0.00 -1.02 0.00 0.00 52.86 54.54 1dfi s ASN 257 Cb 0.00 -2.62 0.00 0.00 0.02 0.00 0.00 41.25 38.65 1dfi s ASN 257 CO 0.00 -0.77 0.00 1.21 0.02 0.00 0.00 177.10 177.56