#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2df5 s LYS 2 N 0.00 1.63 -0.09 0.03 1.02 -1.26 -1.34 119.74 119.73 2df5 s LYS 2 Ca 0.00 -0.69 0.03 0.00 0.02 0.00 0.00 55.97 55.33 2df5 s LYS 2 Cb 0.00 -1.54 0.01 0.00 -0.52 0.00 0.00 37.83 35.77 2df5 s LYS 2 CO 0.00 0.39 -0.20 0.08 -0.92 0.00 0.00 175.35 174.71 2df5 s VAL 3 N -0.38 1.73 -0.24 3.17 1.01 0.24 -0.56 120.40 125.37 2df5 s VAL 3 Ca 0.06 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.13 2df5 s VAL 3 Cb -0.08 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 2df5 s VAL 3 CO -0.00 0.49 0.10 -0.22 0.00 0.00 0.00 175.10 175.46 2df5 s LEU 4 N 0.51 3.70 -0.13 3.92 0.20 0.11 0.15 118.68 127.14 2df5 s LEU 4 Ca -0.16 -0.07 0.02 0.00 0.69 0.00 0.00 54.13 54.61 2df5 s LEU 4 Cb -0.17 -1.98 -0.00 0.00 -0.43 0.00 0.00 46.19 43.60 2df5 s LEU 4 CO 0.06 0.03 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.28 2df5 s VAL 5 N 1.25 2.53 0.18 1.68 1.01 0.10 -0.95 120.40 126.20 2df5 s VAL 5 Ca 0.05 -0.84 0.11 0.00 0.00 0.00 0.00 61.98 61.31 2df5 s VAL 5 Cb -0.14 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 2df5 s VAL 5 CO 0.04 0.53 -0.24 0.42 0.00 0.00 0.00 175.10 175.86 2df5 s THR 6 N 0.53 2.28 0.34 3.92 -4.23 -0.74 -1.01 115.64 116.73 2df5 s THR 6 Ca -0.11 -1.96 0.05 0.00 -1.18 0.00 0.00 61.69 58.48 2df5 s THR 6 Cb -0.16 -2.07 -0.03 0.00 1.34 0.00 0.00 72.50 71.58 2df5 s THR 6 CO 0.04 -0.09 0.19 -0.83 -0.54 0.00 0.00 174.62 173.39 2df5 s GLY 7 N -2.54 2.30 0.28 3.99 0.00 -0.51 -0.87 107.32 109.98 2df5 s GLY 7 Ca 0.19 -1.69 0.11 0.00 0.00 0.00 0.00 44.72 43.32 2df5 s GLY 7 CO 0.09 -1.62 -0.17 -1.36 0.00 0.00 0.00 173.10 170.03 2df5 s PHE 8 N -3.45 2.24 0.65 1.90 0.40 -1.26 -0.00 117.98 118.45 2df5 s PHE 8 Ca 0.34 -0.39 -0.07 0.00 -0.60 0.00 0.00 56.93 56.20 2df5 s PHE 8 Cb 0.03 -1.03 0.03 0.00 0.51 0.00 0.00 43.02 42.56 2df5 s PHE 8 CO 0.20 0.65 0.97 -1.21 0.70 0.00 0.00 175.22 176.53 2df5 s GLU 9 N -3.55 2.67 0.46 0.44 2.02 -0.85 -3.43 118.70 116.47 2df5 s GLU 9 Ca 0.30 -0.00 -0.24 0.00 0.02 0.00 0.00 54.97 55.05 2df5 s GLU 9 Cb -0.03 -2.19 -0.08 0.00 0.10 0.00 0.00 34.13 31.92 2df5 s GLU 9 CO 0.14 -0.94 1.24 -2.30 0.02 0.00 0.00 175.26 173.43 2df5 n PRO 10 N -2.77 1.76 -3.76 0.39 -0.02 -1.26 -4.75 135.00 124.59 2df5 n PRO 10 Ca 0.06 0.63 -0.12 0.00 -2.02 0.00 0.00 63.50 62.05 2df5 n PRO 10 Cb 0.58 -2.38 -0.08 0.00 -0.02 0.00 0.00 33.50 31.60 2df5 n PRO 10 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2df5 s PHE 11 N -1.25 -0.11 -0.96 6.00 -0.12 -1.26 -4.86 117.98 115.42 2df5 s PHE 11 Ca 0.64 0.03 -0.03 0.00 -0.05 0.00 0.00 56.93 57.53 2df5 s PHE 11 Cb -0.48 0.09 0.00 0.00 -0.63 0.00 0.00 43.02 42.00 2df5 s PHE 11 CO 0.55 -0.47 0.82 0.41 -0.05 0.00 0.00 175.22 176.48 2df5 n GLY 12 N 0.77 -0.18 3.79 1.99 0.00 -1.26 -2.74 105.19 107.56 2df5 n GLY 12 Ca -0.19 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2df5 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2df5 n GLY 13 N -1.31 1.59 3.74 -0.02 0.00 -1.26 -4.96 105.19 102.97 2df5 n GLY 13 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 2df5 n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2df5 s GLU 14 N -0.05 4.21 0.25 1.61 0.41 -1.11 -4.90 118.70 119.12 2df5 s GLU 14 Ca 0.00 2.40 -0.02 0.00 -0.41 0.00 0.00 54.97 56.94 2df5 s GLU 14 Cb 0.00 -3.09 0.31 0.00 -1.78 0.00 0.00 34.13 29.57 2df5 s GLU 14 CO 0.00 -0.53 1.72 -0.22 -0.49 0.00 0.00 175.26 175.74 2df5 h LYS 15 N 5.39 0.73 -4.80 1.61 3.64 -1.92 -3.38 116.57 117.84 2df5 h LYS 15 Ca -0.45 -0.23 -0.43 0.00 -1.27 0.00 0.00 60.65 58.27 2df5 h LYS 15 Cb 1.21 -0.07 -0.13 0.00 -0.41 0.00 0.00 32.23 32.84 2df5 h LYS 15 CO 0.81 0.81 -0.48 0.96 -2.27 0.00 0.00 179.45 179.29 2df5 s ILE 16 N -4.80 0.00 -0.15 2.00 -4.36 -1.26 -4.88 121.20 107.74 2df5 s ILE 16 Ca -0.09 -1.97 -0.04 0.00 -0.26 0.00 0.00 60.65 58.29 2df5 s ILE 16 Cb 0.14 -2.51 0.07 0.00 1.25 0.00 0.00 42.46 41.41 2df5 s ILE 16 CO 0.81 0.00 0.21 0.21 0.24 0.00 0.00 174.94 176.41 2df5 s ASN 17 N -3.33 1.05 0.50 4.36 3.84 -1.26 -4.73 114.94 115.37 2df5 s ASN 17 Ca 0.40 0.07 0.17 0.00 0.21 0.00 0.00 52.86 53.71 2df5 s ASN 17 Cb 0.03 0.39 1.23 0.00 -0.55 0.00 0.00 41.25 42.35 2df5 s ASN 17 CO 0.25 -0.29 2.08 1.55 -2.79 0.00 0.00 177.10 177.90 2df5 h PRO 18 N 8.33 0.10 0.00 0.43 0.13 -1.94 -1.09 132.00 137.95 2df5 h PRO 18 Ca -0.15 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2df5 h PRO 18 Cb 1.13 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2df5 h PRO 18 CO 0.21 0.07 0.00 1.79 -0.23 0.00 0.00 178.00 179.84 2df5 h THR 19 N 0.11 0.00 0.10 1.56 1.35 -1.91 -0.81 112.91 113.31 2df5 h THR 19 Ca 0.12 -0.19 -0.21 0.00 -0.55 0.00 0.00 66.41 65.58 2df5 h THR 19 Cb 0.34 0.98 0.02 0.00 -1.73 0.00 0.00 68.15 67.77 2df5 h THR 19 CO -0.01 0.00 -0.89 -0.08 -0.25 0.00 0.00 175.52 174.28 2df5 h GLU 20 N 0.00 0.42 -0.66 4.72 4.81 -1.21 -2.49 114.58 120.18 2df5 h GLU 20 Ca 0.00 -0.59 -0.05 0.00 -0.13 0.00 0.00 59.36 58.59 2df5 h GLU 20 Cb 0.23 0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 2df5 h GLU 20 CO 0.00 1.25 0.21 0.00 -0.73 0.00 0.00 179.01 179.73 2df5 h ARG 21 N -0.12 1.02 -0.05 1.92 3.08 -1.37 -2.54 114.38 116.32 2df5 h ARG 21 Ca -0.14 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 59.70 2df5 h ARG 21 Cb 1.64 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.53 2df5 h ARG 21 CO 0.17 0.89 -0.03 0.82 -1.07 0.00 0.00 179.97 180.75 2df5 h ILE 22 N 0.95 0.92 -0.52 2.04 2.04 -1.23 -0.39 117.51 121.31 2df5 h ILE 22 Ca 0.21 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.14 2df5 h ILE 22 Cb 0.29 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 2df5 h ILE 22 CO -0.01 0.00 0.19 0.00 0.00 0.00 0.00 178.15 178.33 2df5 h ALA 23 N 1.02 0.65 -0.19 1.87 0.00 -1.30 -1.67 119.26 119.63 2df5 h ALA 23 Ca 0.03 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 2df5 h ALA 23 Cb 0.07 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2df5 h ALA 23 CO -0.06 -0.21 -0.37 0.87 0.00 0.00 0.00 179.25 179.47 2df5 h LYS 24 N 0.37 0.41 0.00 0.00 1.57 -1.20 -1.96 116.57 115.75 2df5 h LYS 24 Ca 0.25 -0.19 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 2df5 h LYS 24 Cb 0.28 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 2df5 h LYS 24 CO -0.26 0.72 -0.55 -0.44 -0.57 0.00 0.00 179.45 178.36 2df5 h ASP 25 N 0.34 0.00 0.40 0.86 3.45 -0.52 -3.13 116.42 117.83 2df5 h ASP 25 Ca 0.04 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.50 2df5 h ASP 25 Cb 0.82 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.59 2df5 h ASP 25 CO 0.07 0.55 -0.85 0.18 -1.57 0.00 0.00 179.24 177.61 2df5 n LEU 26 N -3.73 0.65 -4.75 1.55 4.77 -0.68 -4.85 117.00 109.95 2df5 n LEU 26 Ca -0.01 -0.08 -0.41 0.00 -0.03 0.00 0.00 56.01 55.48 2df5 n LEU 26 Cb 0.58 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.53 2df5 n LEU 26 CO 0.41 0.10 1.21 -0.62 -1.33 0.00 0.00 177.39 177.15 2df5 s ASP 27 N -3.51 6.41 0.00 -1.43 3.68 -0.75 -2.12 116.67 118.95 2df5 s ASP 27 Ca 0.07 2.92 0.00 0.00 2.13 0.00 0.00 52.55 57.67 2df5 s ASP 27 Cb 0.16 -2.64 0.00 0.00 -1.45 0.00 0.00 42.92 38.99 2df5 s ASP 27 CO 0.78 -0.87 0.00 0.61 0.13 0.00 0.00 175.17 175.82 2df5 n GLY 28 N 1.89 0.58 3.89 2.66 0.00 -0.82 -4.85 105.19 108.54 2df5 n GLY 28 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 2df5 n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2df5 s ILE 29 N -2.56 4.46 -0.03 -0.61 1.09 -0.90 -4.87 121.20 117.78 2df5 s ILE 29 Ca 0.00 0.53 0.03 0.00 -1.10 0.00 0.00 60.65 60.11 2df5 s ILE 29 Cb 0.00 -3.76 0.00 0.00 -1.06 0.00 0.00 42.46 37.64 2df5 s ILE 29 CO 0.00 -0.91 -0.09 -0.54 -0.10 0.00 0.00 174.94 173.29 2df5 s LYS 30 N -5.07 1.02 -0.38 2.79 1.02 -1.26 -1.17 119.74 116.69 2df5 s LYS 30 Ca 0.53 -0.32 0.02 0.00 0.02 0.00 0.00 55.97 56.23 2df5 s LYS 30 Cb -0.11 -0.94 0.11 0.00 -0.52 0.00 0.00 37.83 36.37 2df5 s LYS 30 CO 0.50 0.12 0.12 0.42 -0.92 0.00 0.00 175.35 175.58 2df5 s ILE 31 N 0.21 2.56 0.00 2.17 1.01 -0.74 -4.97 121.20 121.43 2df5 s ILE 31 Ca -0.04 -2.43 0.00 0.00 0.00 0.00 0.00 60.65 58.19 2df5 s ILE 31 Cb -0.09 -2.84 0.00 0.00 0.01 0.00 0.00 42.46 39.55 2df5 s ILE 31 CO 0.01 -0.65 0.00 0.61 0.00 0.00 0.00 174.94 174.91 2df5 n GLY 32 N 4.16 1.56 0.70 6.18 0.00 -1.26 -1.96 105.19 114.57 2df5 n GLY 32 Ca 0.03 -0.49 0.11 0.00 0.00 0.00 0.00 46.02 45.67 2df5 n GLY 32 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2df5 n ASP 33 N 5.83 2.12 -4.80 1.61 8.00 -1.26 -4.91 116.55 123.14 2df5 n ASP 33 Ca 0.00 -1.77 -0.39 0.00 0.71 0.00 0.00 54.79 53.34 2df5 n ASP 33 Cb 0.00 -0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 40.92 2df5 n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2df5 s ALA 34 N -1.75 3.55 -0.23 2.24 0.00 -0.83 -4.51 121.76 120.24 2df5 s ALA 34 Ca 0.34 0.10 -0.08 0.00 0.00 0.00 0.00 51.96 52.31 2df5 s ALA 34 Cb 0.19 -2.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.56 2df5 s ALA 34 CO 0.28 0.36 0.10 -0.65 0.00 0.00 0.00 175.76 175.84 2df5 s GLN 35 N -1.03 3.85 -0.07 0.00 -1.52 -0.45 -1.79 119.66 118.65 2df5 s GLN 35 Ca 0.30 -0.39 -0.12 0.00 -1.95 0.00 0.00 55.36 53.21 2df5 s GLN 35 Cb -0.20 -3.36 -0.05 0.00 -0.22 0.00 0.00 33.01 29.18 2df5 s GLN 35 CO 0.20 -0.01 0.28 0.08 -0.25 0.00 0.00 175.29 175.60 2df5 s VAL 36 N 1.16 5.26 -0.15 1.09 1.01 -0.31 -0.59 120.40 127.87 2df5 s VAL 36 Ca 0.05 0.54 0.02 0.00 0.00 0.00 0.00 61.98 62.59 2df5 s VAL 36 Cb -0.14 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.68 2df5 s VAL 36 CO 0.04 0.57 -0.19 -0.36 0.00 0.00 0.00 175.10 175.15 2df5 s PHE 37 N -0.82 2.53 -0.18 5.22 0.40 0.12 -1.94 117.98 123.32 2df5 s PHE 37 Ca 0.19 -1.36 -0.06 0.00 -0.60 0.00 0.00 56.93 55.10 2df5 s PHE 37 Cb -0.14 -1.76 -0.03 0.00 0.51 0.00 0.00 43.02 41.60 2df5 s PHE 37 CO 0.08 -0.66 0.02 0.20 0.70 0.00 0.00 175.22 175.57 2df5 s GLY 38 N 1.08 1.82 -0.00 4.36 0.00 -1.26 0.00 107.32 113.32 2df5 s GLY 38 Ca -0.02 -0.81 0.02 0.00 0.00 0.00 0.00 44.72 43.91 2df5 s GLY 38 CO -0.06 0.06 -0.07 0.50 0.00 0.00 0.00 173.10 173.52 2df5 s ARG 39 N 0.49 0.59 -0.16 2.90 1.81 -0.18 -4.77 118.95 119.62 2df5 s ARG 39 Ca 0.01 -0.30 -0.10 0.00 -1.72 0.00 0.00 55.73 53.62 2df5 s ARG 39 Cb -0.13 -0.56 -0.05 0.00 -0.45 0.00 0.00 34.95 33.76 2df5 s ARG 39 CO 0.02 0.15 0.18 0.08 -0.68 0.00 0.00 175.30 175.05 2df5 s VAL 40 N -0.25 5.39 0.13 3.52 1.01 -1.26 -1.42 120.40 127.52 2df5 s VAL 40 Ca 0.02 0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.35 2df5 s VAL 40 Cb -0.03 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 2df5 s VAL 40 CO -0.00 0.48 0.11 -0.76 0.00 0.00 0.00 175.10 174.92 2df5 s LEU 41 N 0.00 3.79 0.34 3.92 1.43 0.99 -4.93 118.68 124.23 2df5 s LEU 41 Ca 0.12 -0.09 -0.17 0.00 -1.03 0.00 0.00 54.13 52.96 2df5 s LEU 41 Cb -0.12 -2.43 -0.09 0.00 0.03 0.00 0.00 46.19 43.57 2df5 s LEU 41 CO 0.01 0.11 0.80 -2.16 0.23 0.00 0.00 176.35 175.34 2df5 s PRO 42 N -2.82 4.10 -0.78 1.29 0.04 -1.26 -2.00 135.00 133.57 2df5 s PRO 42 Ca 0.30 0.82 -0.05 0.00 0.04 0.00 0.00 61.00 62.12 2df5 s PRO 42 Cb -0.11 -2.41 0.07 0.00 0.04 0.00 0.00 34.50 32.09 2df5 s PRO 42 CO 0.23 0.13 2.65 0.28 0.04 0.00 0.00 177.00 180.33 2df5 n VAL 43 N -0.32 4.06 -3.84 -0.36 0.31 -1.26 -4.52 118.33 112.39 2df5 n VAL 43 Ca 0.04 -3.47 -0.25 0.00 -0.01 0.00 0.00 64.34 60.66 2df5 n VAL 43 Cb 0.53 -1.79 -0.17 0.00 -0.91 0.00 0.00 33.84 31.49 2df5 n VAL 43 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2df5 s VAL 44 N -1.72 0.70 0.56 2.52 1.01 -1.26 -1.47 120.40 120.74 2df5 s VAL 44 Ca 0.57 -0.08 -0.21 0.00 0.00 0.00 0.00 61.98 62.27 2df5 s VAL 44 Cb 0.30 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 2df5 s VAL 44 CO -0.17 0.31 1.23 0.49 0.00 0.00 0.00 175.10 176.97 2df5 n PHE 45 N 5.03 1.83 0.00 5.22 3.01 -1.26 -0.12 117.46 131.17 2df5 n PHE 45 Ca -0.10 0.44 0.00 0.00 1.01 0.00 0.00 57.45 58.80 2df5 n PHE 45 Cb 0.50 -2.29 0.00 0.00 -0.01 0.00 0.00 39.48 37.68 2df5 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2df5 n GLY 46 N 0.93 1.58 0.23 1.37 0.00 -1.26 -4.41 105.19 103.64 2df5 n GLY 46 Ca 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 2df5 n GLY 46 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2df5 h LYS 47 N 0.00 0.39 -0.38 1.61 1.63 -1.90 0.14 116.57 118.06 2df5 h LYS 47 Ca 0.00 -0.15 -0.11 0.00 -0.85 0.00 0.00 60.65 59.54 2df5 h LYS 47 Cb 0.00 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 2df5 h LYS 47 CO 0.00 0.64 -0.20 0.00 -3.45 0.00 0.00 179.45 176.44 2df5 h ALA 48 N 1.36 0.53 -0.54 5.00 0.00 -0.73 -1.65 119.26 123.22 2df5 h ALA 48 Ca 0.05 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2df5 h ALA 48 Cb 0.68 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2df5 h ALA 48 CO 0.05 0.49 0.20 -0.22 0.00 0.00 0.00 179.25 179.77 2df5 h LYS 49 N 0.60 0.82 -0.29 0.00 3.64 -1.71 0.11 116.57 119.74 2df5 h LYS 49 Ca 0.08 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2df5 h LYS 49 Cb 0.75 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 2df5 h LYS 49 CO 0.06 0.73 0.10 1.49 -2.27 0.00 0.00 179.45 179.56 2df5 h GLU 50 N 0.74 0.23 -0.41 1.90 4.81 -0.83 -0.30 114.58 120.71 2df5 h GLU 50 Ca 0.18 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.29 2df5 h GLU 50 Cb 0.23 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 2df5 h GLU 50 CO -0.01 0.15 -0.17 0.28 -0.73 0.00 0.00 179.01 178.53 2df5 h VAL 51 N 0.23 1.28 0.06 0.32 2.07 -1.04 -2.55 116.25 116.62 2df5 h VAL 51 Ca 0.13 -1.29 0.01 0.00 0.82 0.00 0.00 66.70 66.36 2df5 h VAL 51 Cb 0.09 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2df5 h VAL 51 CO -0.13 0.44 -0.11 0.25 0.02 0.00 0.00 177.57 178.04 2df5 h LEU 52 N 0.66 -0.30 -0.04 2.57 6.46 -0.47 -0.10 115.31 124.09 2df5 h LEU 52 Ca 0.10 0.04 0.03 0.00 -0.12 0.00 0.00 57.88 57.92 2df5 h LEU 52 Cb 0.72 0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.73 2df5 h LEU 52 CO 0.05 -0.16 -0.12 -0.33 -0.62 0.00 0.00 178.44 177.26 2df5 h GLU 53 N -0.22 -0.18 -0.61 1.25 4.39 -1.05 -0.53 114.58 117.62 2df5 h GLU 53 Ca 0.02 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 2df5 h GLU 53 Cb 0.24 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 2df5 h GLU 53 CO -0.06 -0.12 0.37 -0.22 -1.16 0.00 0.00 179.01 177.82 2df5 h LYS 54 N -0.19 0.83 -0.43 2.33 3.64 -1.34 -0.48 116.57 120.93 2df5 h LYS 54 Ca 0.06 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2df5 h LYS 54 Cb 0.26 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2df5 h LYS 54 CO -0.15 0.59 0.23 1.15 -2.27 0.00 0.00 179.45 179.01 2df5 h THR 55 N 0.83 1.16 -0.49 1.00 2.02 -0.70 0.13 112.91 116.86 2df5 h THR 55 Ca 0.22 -0.42 -0.07 0.00 0.77 0.00 0.00 66.41 66.91 2df5 h THR 55 Cb -0.03 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 2df5 h THR 55 CO -0.04 0.17 0.02 -0.07 0.37 0.00 0.00 175.52 175.97 2df5 h LEU 56 N 0.56 0.76 -0.30 2.58 3.38 -0.88 -1.14 115.31 120.27 2df5 h LEU 56 Ca 0.15 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2df5 h LEU 56 Cb 0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2df5 h LEU 56 CO -0.02 0.81 -0.17 -0.08 0.09 0.00 0.00 178.44 179.07 2df5 h GLU 57 N 0.74 0.65 -0.38 1.13 4.57 -0.66 0.60 114.58 121.23 2df5 h GLU 57 Ca 0.15 -0.29 -0.11 0.00 -1.18 0.00 0.00 59.36 57.93 2df5 h GLU 57 Cb 0.42 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 2df5 h GLU 57 CO 0.02 0.88 -0.17 1.49 -1.18 0.00 0.00 179.01 180.04 2df5 h GLU 58 N 0.40 0.79 0.06 1.92 4.81 -0.61 -3.35 114.58 118.60 2df5 h GLU 58 Ca 0.06 -0.34 -0.36 0.00 -0.13 0.00 0.00 59.36 58.59 2df5 h GLU 58 Cb 0.70 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 2df5 h GLU 58 CO 0.05 0.96 -2.10 -0.89 -0.73 0.00 0.00 179.01 176.30 2df5 n ILE 59 N -4.28 1.65 -3.52 2.32 5.41 -0.44 -5.01 119.36 115.49 2df5 n ILE 59 Ca -0.02 -0.68 -0.24 0.00 1.00 0.00 0.00 62.75 62.82 2df5 n ILE 59 Cb 0.41 -1.43 0.05 0.00 -0.71 0.00 0.00 39.64 37.96 2df5 n ILE 59 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2df5 n LYS 60 N -3.29 -2.06 -1.27 0.38 5.02 0.21 -4.92 118.16 112.22 2df5 n LYS 60 Ca -0.33 0.64 -0.33 0.00 -2.02 0.00 0.00 58.31 56.26 2df5 n LYS 60 Cb 1.04 -4.91 0.11 0.00 -0.02 0.00 0.00 35.03 31.25 2df5 n LYS 60 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2df5 s PRO 61 N -5.37 1.92 -0.07 1.97 0.02 -1.26 -4.89 135.00 127.33 2df5 s PRO 61 Ca 0.41 1.68 0.05 0.00 0.02 0.00 0.00 61.00 63.16 2df5 s PRO 61 Cb -0.11 -1.82 -0.24 0.00 0.02 0.00 0.00 34.50 32.35 2df5 s PRO 61 CO 0.81 -1.98 0.57 -0.44 -0.33 0.00 0.00 177.00 175.63 2df5 h ASP 62 N -0.67 0.17 -3.95 2.53 3.32 -1.19 -3.34 116.42 113.30 2df5 h ASP 62 Ca -0.46 -0.37 -0.47 0.00 0.02 0.00 0.00 57.03 55.75 2df5 h ASP 62 Cb 1.29 -0.05 -0.30 0.00 0.22 0.00 0.00 39.33 40.48 2df5 h ASP 62 CO 0.48 1.33 -0.81 -0.63 -1.72 0.00 0.00 179.24 177.89 2df5 s ILE 63 N -2.59 1.02 -0.13 0.35 1.01 -1.12 -2.18 121.20 117.56 2df5 s ILE 63 Ca -0.11 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 2df5 s ILE 63 Cb 0.07 -0.88 0.03 0.00 0.01 0.00 0.00 42.46 41.69 2df5 s ILE 63 CO 0.81 0.30 -0.05 0.00 0.00 0.00 0.00 174.94 176.00 2df5 s ALA 64 N -0.00 1.26 -0.23 9.38 0.00 0.59 -0.71 121.76 132.06 2df5 s ALA 64 Ca -0.01 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.38 2df5 s ALA 64 Cb -0.08 -0.97 0.04 0.00 0.00 0.00 0.00 23.12 22.11 2df5 s ALA 64 CO 0.01 -0.59 -0.14 0.42 0.00 0.00 0.00 175.76 175.46 2df5 s ILE 65 N 1.73 2.25 -0.21 0.00 1.01 -0.13 -1.62 121.20 124.24 2df5 s ILE 65 Ca 0.03 -1.26 -0.09 0.00 0.00 0.00 0.00 60.65 59.33 2df5 s ILE 65 Cb -0.14 -2.15 -0.05 0.00 0.01 0.00 0.00 42.46 40.14 2df5 s ILE 65 CO -0.08 0.23 0.12 -1.00 0.00 0.00 0.00 174.94 174.21 2df5 s HIS 66 N 1.21 3.31 -0.00 3.97 3.76 -0.69 -1.79 115.29 125.06 2df5 s HIS 66 Ca -0.02 0.18 0.04 0.00 -0.15 0.00 0.00 55.06 55.11 2df5 s HIS 66 Cb -0.17 -2.18 -0.03 0.00 1.11 0.00 0.00 32.58 31.31 2df5 s HIS 66 CO -0.08 0.13 -0.11 0.08 -0.85 0.00 0.00 174.74 173.91 2df5 s VAL 67 N 0.70 3.34 0.15 -0.90 1.01 -0.04 -0.10 120.40 124.55 2df5 s VAL 67 Ca 0.06 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 2df5 s VAL 67 Cb -0.13 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 2df5 s VAL 67 CO 0.01 0.43 0.20 -0.83 0.00 0.00 0.00 175.10 174.91 2df5 s GLY 68 N -1.25 0.62 -0.01 4.51 0.00 -0.05 -4.18 107.32 106.96 2df5 s GLY 68 Ca 0.15 -1.06 -0.18 0.00 0.00 0.00 0.00 44.72 43.63 2df5 s GLY 68 CO 0.05 -1.01 0.51 -2.27 0.00 0.00 0.00 173.10 170.38 2df5 s LEU 69 N -2.99 4.43 -0.49 0.66 0.20 -1.26 -0.50 118.68 118.74 2df5 s LEU 69 Ca 0.18 1.05 0.03 0.00 0.69 0.00 0.00 54.13 56.09 2df5 s LEU 69 Cb 0.05 -2.76 0.14 0.00 -0.43 0.00 0.00 46.19 43.18 2df5 s LEU 69 CO -0.00 0.19 0.28 0.00 -0.29 0.00 0.00 176.35 176.53 2df5 s ALA 70 N -0.53 2.65 0.07 5.97 0.00 -0.45 -4.84 121.76 124.63 2df5 s ALA 70 Ca 0.27 -2.93 -0.34 0.00 0.00 0.00 0.00 51.96 48.96 2df5 s ALA 70 Cb -0.17 -1.99 -0.13 0.00 0.00 0.00 0.00 23.12 20.83 2df5 s ALA 70 CO 0.15 -2.05 1.70 -2.30 0.00 0.00 0.00 175.76 173.26 2df5 n PRO 71 N 3.21 2.21 0.00 0.00 -0.02 -1.26 -1.90 135.00 137.23 2df5 n PRO 71 Ca 0.10 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 2df5 n PRO 71 Cb 0.34 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 2df5 n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2df5 n GLY 72 N 3.82 3.02 3.77 -1.23 0.00 -1.26 -5.03 105.19 108.28 2df5 n GLY 72 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 2df5 n GLY 72 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2df5 s ARG 73 N -0.53 4.19 0.00 1.61 6.06 -0.80 -4.61 118.95 124.87 2df5 s ARG 73 Ca 0.00 2.05 0.17 0.00 -2.50 0.00 0.00 55.73 55.45 2df5 s ARG 73 Cb 0.00 -2.89 0.09 0.00 0.06 0.00 0.00 34.95 32.22 2df5 s ARG 73 CO 0.00 -0.27 0.99 -1.13 -2.50 0.00 0.00 175.30 172.39 2df5 n SER 74 N 0.45 2.20 -3.68 -2.12 3.41 -1.26 -4.34 113.62 108.28 2df5 n SER 74 Ca 0.02 -1.60 -0.11 0.00 -0.26 0.00 0.00 58.87 56.92 2df5 n SER 74 Cb 0.44 0.14 -0.04 0.00 -0.26 0.00 0.00 64.21 64.48 2df5 n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2df5 s ALA 75 N -1.57 0.09 0.37 7.33 0.00 -1.26 -4.86 121.76 121.86 2df5 s ALA 75 Ca 0.18 -1.10 -0.26 0.00 0.00 0.00 0.00 51.96 50.78 2df5 s ALA 75 Cb 0.14 1.08 -0.09 0.00 0.00 0.00 0.00 23.12 24.25 2df5 s ALA 75 CO 0.27 -0.84 1.18 0.42 0.00 0.00 0.00 175.76 176.80 2df5 s ILE 76 N -3.57 3.12 -0.04 0.00 -1.09 -0.34 -4.30 121.20 114.98 2df5 s ILE 76 Ca 0.25 0.99 0.01 0.00 -2.23 0.00 0.00 60.65 59.68 2df5 s ILE 76 Cb -0.01 -3.58 0.02 0.00 -1.58 0.00 0.00 42.46 37.31 2df5 s ILE 76 CO 0.13 0.14 -0.06 -0.94 -1.23 0.00 0.00 174.94 172.98 2df5 s SER 77 N -0.99 1.01 -0.24 3.58 1.04 -0.62 -1.43 113.70 116.04 2df5 s SER 77 Ca 0.54 -0.15 -0.09 0.00 0.48 0.00 0.00 55.95 56.74 2df5 s SER 77 Cb -0.32 -0.46 -0.04 0.00 0.10 0.00 0.00 66.02 65.29 2df5 s SER 77 CO 0.41 -0.03 0.11 -0.63 0.98 0.00 0.00 173.24 174.08 2df5 s ILE 78 N 0.78 4.79 0.03 -1.02 1.01 -0.42 -0.73 121.20 125.65 2df5 s ILE 78 Ca -0.11 -0.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.22 2df5 s ILE 78 Cb -0.14 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 2df5 s ILE 78 CO 0.01 0.34 1.03 -1.61 0.00 0.00 0.00 174.94 174.71 2df5 s GLU 79 N 1.32 4.55 -0.07 2.79 0.41 -0.41 -0.31 118.70 126.97 2df5 s GLU 79 Ca 0.06 1.51 0.19 0.00 -0.41 0.00 0.00 54.97 56.32 2df5 s GLU 79 Cb -0.15 -3.42 -0.24 0.00 -1.78 0.00 0.00 34.13 28.54 2df5 s GLU 79 CO 0.05 -0.06 0.42 -2.13 -0.49 0.00 0.00 175.26 173.05 2df5 n ARG 80 N 3.71 0.66 -4.24 1.61 0.63 -0.52 -4.51 116.66 113.99 2df5 n ARG 80 Ca 0.06 -0.01 -0.17 0.00 -0.92 0.00 0.00 57.85 56.81 2df5 n ARG 80 Cb 0.50 -1.60 -0.14 0.00 0.45 0.00 0.00 32.46 31.66 2df5 n ARG 80 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2df5 s ILE 81 N -2.95 0.54 -0.16 5.15 1.01 -1.26 -1.45 121.20 122.08 2df5 s ILE 81 Ca -0.07 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.28 2df5 s ILE 81 Cb 0.09 -0.46 0.01 0.00 0.01 0.00 0.00 42.46 42.12 2df5 s ILE 81 CO 0.85 0.14 -0.21 0.00 0.00 0.00 0.00 174.94 175.72 2df5 s ALA 82 N -0.19 2.30 -0.11 9.38 0.00 -0.42 -4.22 121.76 128.50 2df5 s ALA 82 Ca 0.02 -1.15 -0.09 0.00 0.00 0.00 0.00 51.96 50.74 2df5 s ALA 82 Cb -0.03 -1.09 -0.05 0.00 0.00 0.00 0.00 23.12 21.96 2df5 s ALA 82 CO -0.00 -0.17 0.20 0.08 0.00 0.00 0.00 175.76 175.87 2df5 s VAL 83 N 1.02 5.39 -1.41 0.00 1.01 -1.26 -0.96 120.40 124.19 2df5 s VAL 83 Ca -0.02 0.35 -0.15 0.00 0.00 0.00 0.00 61.98 62.17 2df5 s VAL 83 Cb -0.14 -3.49 0.06 0.00 0.00 0.00 0.00 36.38 32.80 2df5 s VAL 83 CO -0.06 0.56 2.09 -3.20 0.00 0.00 0.00 175.10 174.49 2df5 n ASN 84 N 2.33 4.20 -3.55 3.32 5.15 0.73 -4.83 115.26 122.61 2df5 n ASN 84 Ca -0.18 -2.88 -0.10 0.00 -0.60 0.00 0.00 54.58 50.83 2df5 n ASN 84 Cb 0.54 -1.66 -0.04 0.00 -0.53 0.00 0.00 39.78 38.08 2df5 n ASN 84 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2df5 s ALA 85 N 3.19 -1.89 -0.22 5.20 0.00 -1.26 -4.19 121.76 122.59 2df5 s ALA 85 Ca 0.48 1.37 -0.02 0.00 0.00 0.00 0.00 51.96 53.79 2df5 s ALA 85 Cb 0.11 -0.24 0.07 0.00 0.00 0.00 0.00 23.12 23.06 2df5 s ALA 85 CO -0.05 -0.46 0.02 0.42 0.00 0.00 0.00 175.76 175.69 2df5 s ILE 86 N -1.91 0.79 -0.37 0.00 1.01 0.58 -4.73 121.20 116.56 2df5 s ILE 86 Ca 0.01 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.85 2df5 s ILE 86 Cb -0.01 -1.29 0.15 0.00 0.01 0.00 0.00 42.46 41.33 2df5 s ILE 86 CO -0.02 -0.25 0.25 -0.62 0.00 0.00 0.00 174.94 174.30 2df5 s ASP 87 N 1.72 2.56 0.16 3.58 3.68 -0.91 -0.97 116.67 126.50 2df5 s ASP 87 Ca -0.01 -2.46 -0.03 0.00 2.13 0.00 0.00 52.55 52.18 2df5 s ASP 87 Cb -0.17 -0.43 -0.05 0.00 -1.45 0.00 0.00 42.92 40.81 2df5 s ASP 87 CO -0.10 -0.27 0.38 0.00 0.13 0.00 0.00 175.17 175.32 2df5 s ALA 88 N 0.75 3.80 -0.19 3.66 0.00 -0.46 -4.69 121.76 124.62 2df5 s ALA 88 Ca 0.22 -0.65 -0.16 0.00 0.00 0.00 0.00 51.96 51.38 2df5 s ALA 88 Cb -0.15 -2.09 -0.10 0.00 0.00 0.00 0.00 23.12 20.78 2df5 s ALA 88 CO -0.05 0.59 -0.10 -2.13 0.00 0.00 0.00 175.76 174.07 2df5 n ARG 89 N -0.17 0.52 -3.39 0.00 0.00 -1.26 -4.67 116.66 107.69 2df5 n ARG 89 Ca -0.03 0.45 -0.38 0.00 -0.00 0.00 0.00 57.85 57.89 2df5 n ARG 89 Cb 0.52 -1.64 -0.06 0.00 0.00 0.00 0.00 32.46 31.28 2df5 n ARG 89 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 2df5 s ILE 90 N -2.43 4.94 0.56 5.15 -4.36 -1.26 -5.02 121.20 118.78 2df5 s ILE 90 Ca -0.26 1.00 -0.18 0.00 -0.26 0.00 0.00 60.65 60.95 2df5 s ILE 90 Cb 0.06 -3.80 -0.05 0.00 1.25 0.00 0.00 42.46 39.92 2df5 s ILE 90 CO 0.42 0.54 1.11 -2.16 0.24 0.00 0.00 174.94 175.09 2df5 s PRO 91 N -0.87 3.29 0.53 0.37 0.04 -1.26 -4.91 135.00 132.20 2df5 s PRO 91 Ca 0.26 1.52 -0.09 0.00 0.04 0.00 0.00 61.00 62.73 2df5 s PRO 91 Cb -0.18 -2.01 0.13 0.00 0.04 0.00 0.00 34.50 32.49 2df5 s PRO 91 CO 0.15 -0.88 0.43 -0.40 0.04 0.00 0.00 177.00 176.34 2df5 n ASP 92 N -1.51 -1.79 -1.72 6.66 3.85 -1.19 -4.78 116.55 116.07 2df5 n ASP 92 Ca 0.11 -0.68 -0.01 0.00 -0.71 0.00 0.00 54.79 53.50 2df5 n ASP 92 Cb 0.51 -0.41 -0.02 0.00 -1.35 0.00 0.00 41.12 39.85 2df5 n ASP 92 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2df5 n ASN 93 N -3.87 3.86 0.00 -1.12 5.03 -0.54 -2.56 115.26 116.06 2df5 n ASN 93 Ca 0.06 -2.05 0.00 0.00 0.87 0.00 0.00 54.58 53.46 2df5 n ASN 93 Cb 0.24 -0.85 0.00 0.00 -1.02 0.00 0.00 39.78 38.15 2df5 n ASN 93 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2df5 n GLU 94 N 1.79 0.00 0.00 3.52 -0.58 -1.26 -4.92 120.64 119.19 2df5 n GLU 94 Ca 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 2df5 n GLU 94 Cb 0.41 -0.38 0.00 0.00 -0.57 0.00 0.00 31.44 30.90 2df5 n GLU 94 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2df5 n GLY 95 N 0.34 1.91 3.62 0.62 0.00 -1.06 -5.08 105.19 105.53 2df5 n GLY 95 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2df5 n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2df5 s LYS 96 N -0.11 3.82 -1.00 1.61 -2.85 -1.26 -4.79 119.74 115.16 2df5 s LYS 96 Ca 0.00 0.88 -0.12 0.00 -1.00 0.00 0.00 55.97 55.73 2df5 s LYS 96 Cb 0.00 -3.88 0.23 0.00 -2.06 0.00 0.00 37.83 32.13 2df5 s LYS 96 CO 0.00 -1.24 1.01 0.21 0.10 0.00 0.00 175.35 175.43 2df5 s LYS 97 N 4.27 3.91 -0.12 1.78 2.20 -1.26 -3.20 119.74 127.33 2df5 s LYS 97 Ca 0.51 -2.74 -0.30 0.00 -0.36 0.00 0.00 55.97 53.08 2df5 s LYS 97 Cb -0.11 -4.59 -0.02 0.00 -1.51 0.00 0.00 37.83 31.60 2df5 s LYS 97 CO 0.26 -1.36 1.22 0.42 -0.36 0.00 0.00 175.35 175.54 2df5 s ILE 98 N -0.10 4.29 -0.00 5.43 1.01 -1.26 -4.93 121.20 125.64 2df5 s ILE 98 Ca 0.27 1.59 0.04 0.00 0.00 0.00 0.00 60.65 62.54 2df5 s ILE 98 Cb -0.09 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 38.35 2df5 s ILE 98 CO -0.08 -0.08 -0.12 -1.61 0.00 0.00 0.00 174.94 173.06 2df5 s GLU 99 N 2.90 0.94 -0.54 2.79 2.02 -1.25 -1.36 118.70 124.19 2df5 s GLU 99 Ca 0.55 -0.46 -0.21 0.00 0.02 0.00 0.00 54.97 54.87 2df5 s GLU 99 Cb -0.23 -0.91 0.03 0.00 0.10 0.00 0.00 34.13 33.12 2df5 s GLU 99 CO 0.18 0.25 0.64 -0.25 0.02 0.00 0.00 175.26 176.09 2df5 n ASP 100 N 2.67 -6.45 -3.63 -0.19 9.92 -0.14 -4.91 116.55 113.82 2df5 n ASP 100 Ca -0.14 -0.06 -0.03 0.00 -0.53 0.00 0.00 54.79 54.02 2df5 n ASP 100 Cb 0.56 -3.27 -0.05 0.00 -0.64 0.00 0.00 41.12 37.71 2df5 n ASP 100 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2df5 s GLU 101 N -2.97 0.61 0.81 -1.24 2.56 -1.07 -4.97 118.70 112.44 2df5 s GLU 101 Ca 0.24 1.29 -0.13 0.00 0.00 0.00 0.00 54.97 56.37 2df5 s GLU 101 Cb -0.04 0.52 0.08 0.00 2.00 0.00 0.00 34.13 36.68 2df5 s GLU 101 CO 0.83 -0.17 1.16 -2.30 -0.56 0.00 0.00 175.26 174.22 2df5 n PRO 102 N 4.88 0.17 -0.02 4.30 -0.02 -1.26 -0.31 135.00 142.75 2df5 n PRO 102 Ca -0.15 0.13 -0.19 0.00 -2.02 0.00 0.00 63.50 61.27 2df5 n PRO 102 Cb 0.54 -2.40 -0.13 0.00 -0.02 0.00 0.00 33.50 31.48 2df5 n PRO 102 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2df5 h ILE 103 N -0.90 1.38 -2.99 4.25 2.04 -1.85 -3.44 117.51 116.00 2df5 h ILE 103 Ca -0.46 -2.40 -0.52 0.00 1.00 0.00 0.00 64.86 62.49 2df5 h ILE 103 Cb 1.30 2.99 -0.40 0.00 -0.74 0.00 0.00 36.82 39.97 2df5 h ILE 103 CO 0.45 0.62 -0.77 -0.69 0.00 0.00 0.00 178.15 177.77 2df5 s VAL 104 N -2.37 0.15 0.30 1.67 1.01 -1.26 -5.07 120.40 114.83 2df5 s VAL 104 Ca -0.19 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 2df5 s VAL 104 Cb 0.01 -0.97 -0.13 0.00 0.00 0.00 0.00 36.38 35.29 2df5 s VAL 104 CO 0.74 -0.52 1.33 -2.65 0.00 0.00 0.00 175.10 174.00 2df5 n PRO 105 N 5.17 2.08 0.00 2.72 -0.02 -1.26 -1.84 135.00 141.85 2df5 n PRO 105 Ca -0.06 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2df5 n PRO 105 Cb 0.45 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2df5 n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2df5 n GLY 106 N 1.34 2.96 3.86 -1.23 0.00 -1.26 -5.01 105.19 105.85 2df5 n GLY 106 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 2df5 n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2df5 s ALA 107 N -1.90 3.05 0.28 4.61 0.00 -0.77 -4.98 121.76 122.05 2df5 s ALA 107 Ca 0.00 0.01 -0.27 0.00 0.00 0.00 0.00 51.96 51.70 2df5 s ALA 107 Cb 0.00 -3.10 -0.15 0.00 0.00 0.00 0.00 23.12 19.87 2df5 s ALA 107 CO 0.00 -0.62 0.66 -2.30 0.00 0.00 0.00 175.76 173.51 2df5 n PRO 108 N -2.46 0.55 -0.02 0.00 -0.02 -1.26 -4.86 135.00 126.93 2df5 n PRO 108 Ca 0.06 0.19 0.10 0.00 -2.02 0.00 0.00 63.50 61.84 2df5 n PRO 108 Cb 0.54 -1.37 0.51 0.00 -0.02 0.00 0.00 33.50 33.16 2df5 n PRO 108 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2df5 h THR 109 N 1.26 0.95 -3.16 3.45 2.02 -1.93 -3.40 112.91 112.09 2df5 h THR 109 Ca -0.34 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 2df5 h THR 109 Cb 1.40 0.53 -0.13 0.00 -1.74 0.00 0.00 68.15 68.21 2df5 h THR 109 CO 0.57 0.07 0.04 0.00 0.37 0.00 0.00 175.52 176.57 2df5 s ALA 110 N -5.36 -1.22 0.03 6.16 0.00 -1.26 -0.19 121.76 119.91 2df5 s ALA 110 Ca -0.07 0.23 0.06 0.00 0.00 0.00 0.00 51.96 52.18 2df5 s ALA 110 Cb 0.19 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 24.00 2df5 s ALA 110 CO 0.74 -0.66 -0.19 0.71 0.00 0.00 0.00 175.76 176.35 2df5 s TYR 111 N -3.57 1.65 0.10 0.00 1.51 -0.13 -4.97 117.35 111.93 2df5 s TYR 111 Ca 0.01 -0.35 -0.18 0.00 -1.01 0.00 0.00 57.07 55.55 2df5 s TYR 111 Cb 0.00 -1.00 -0.07 0.00 -0.11 0.00 0.00 41.96 40.78 2df5 s TYR 111 CO -0.11 0.05 0.56 -0.06 -1.11 0.00 0.00 175.55 174.88 2df5 s PHE 112 N -0.69 3.74 0.57 2.71 2.99 -1.26 -1.29 117.98 124.74 2df5 s PHE 112 Ca 0.06 1.20 -0.21 0.00 0.00 0.00 0.00 56.93 57.99 2df5 s PHE 112 Cb -0.08 -2.45 -0.04 0.00 0.00 0.00 0.00 43.02 40.45 2df5 s PHE 112 CO 0.01 0.53 1.34 0.45 -0.00 0.00 0.00 175.22 177.55 2df5 s SER 113 N -1.31 5.09 0.00 1.36 0.15 -0.53 -4.92 113.70 113.54 2df5 s SER 113 Ca 0.32 2.73 0.16 0.00 0.70 0.00 0.00 55.95 59.86 2df5 s SER 113 Cb -0.18 -2.63 0.38 0.00 -1.71 0.00 0.00 66.02 61.88 2df5 s SER 113 CO 0.19 -1.69 1.30 0.35 1.20 0.00 0.00 173.24 174.59 2df5 n THR 114 N -1.26 0.77 -2.80 6.45 -2.24 -0.39 -4.96 114.28 109.85 2df5 n THR 114 Ca 0.12 -0.88 -0.31 0.00 -2.27 0.00 0.00 64.05 60.70 2df5 n THR 114 Cb 0.46 0.70 -0.04 0.00 -2.10 0.00 0.00 70.33 69.35 2df5 n THR 114 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2df5 s LEU 115 N -1.09 3.83 -1.23 3.22 1.43 -1.21 -4.52 118.68 119.10 2df5 s LEU 115 Ca 0.31 1.26 -0.17 0.00 -1.03 0.00 0.00 54.13 54.51 2df5 s LEU 115 Cb 0.17 -4.14 -0.02 0.00 0.03 0.00 0.00 46.19 42.23 2df5 s LEU 115 CO 0.23 -0.41 2.10 -0.81 0.23 0.00 0.00 176.35 177.69 2df5 n PRO 116 N -1.20 2.42 -0.26 1.29 -0.04 -1.26 -4.74 135.00 131.21 2df5 n PRO 116 Ca 0.04 -2.40 0.13 0.00 -0.04 0.00 0.00 63.50 61.23 2df5 n PRO 116 Cb 0.54 -3.20 0.40 0.00 -0.04 0.00 0.00 33.50 31.20 2df5 n PRO 116 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 2df5 h ILE 117 N 4.29 0.82 -0.05 0.52 3.07 -1.94 0.70 117.51 124.92 2df5 h ILE 117 Ca 0.51 -0.22 -0.02 0.00 1.55 0.00 0.00 64.86 66.68 2df5 h ILE 117 Cb 0.67 0.11 -0.00 0.00 -0.27 0.00 0.00 36.82 37.33 2df5 h ILE 117 CO 1.87 0.12 -0.04 0.11 -1.05 0.00 0.00 178.15 179.16 2df5 h LYS 118 N 0.65 0.12 -0.89 0.16 1.79 -2.00 -1.57 116.57 114.84 2df5 h LYS 118 Ca 0.45 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.83 2df5 h LYS 118 Cb 0.76 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.37 2df5 h LYS 118 CO -0.20 0.55 0.46 0.87 -1.08 0.00 0.00 179.45 180.06 2df5 h LYS 119 N -0.31 1.25 0.27 3.15 1.57 -1.82 -1.72 116.57 118.96 2df5 h LYS 119 Ca 0.01 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 2df5 h LYS 119 Cb 0.53 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 2df5 h LYS 119 CO 0.01 0.93 -0.16 0.82 -0.57 0.00 0.00 179.45 180.48 2df5 h ILE 120 N 1.25 0.67 -0.74 1.86 2.04 -0.82 -1.83 117.51 119.94 2df5 h ILE 120 Ca 0.31 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.25 2df5 h ILE 120 Cb 0.06 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 2df5 h ILE 120 CO -0.05 0.00 0.48 -0.03 0.00 0.00 0.00 178.15 178.56 2df5 h MET 121 N -0.41 0.70 -0.16 2.37 4.05 -1.09 -0.93 114.93 119.46 2df5 h MET 121 Ca -0.03 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.33 2df5 h MET 121 Cb 0.33 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 2df5 h MET 121 CO 0.04 0.46 0.03 -0.22 0.23 0.00 0.00 176.91 177.45 2df5 h LYS 122 N 0.72 0.25 -0.75 0.39 3.64 -0.94 -2.20 116.57 117.67 2df5 h LYS 122 Ca 0.33 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.59 2df5 h LYS 122 Cb 0.35 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 2df5 h LYS 122 CO -0.11 0.41 0.24 -0.22 -2.27 0.00 0.00 179.45 177.49 2df5 h LYS 123 N 0.05 1.16 -0.62 1.90 1.63 -0.69 -2.18 116.57 117.83 2df5 h LYS 123 Ca 0.05 -0.25 0.04 0.00 -0.85 0.00 0.00 60.65 59.64 2df5 h LYS 123 Cb 0.27 -0.17 -0.05 0.00 -0.60 0.00 0.00 32.23 31.69 2df5 h LYS 123 CO 0.00 0.99 0.36 -0.07 -3.45 0.00 0.00 179.45 177.27 2df5 h LEU 124 N 1.12 0.55 -0.87 5.20 3.38 -1.05 -0.96 115.31 122.68 2df5 h LEU 124 Ca 0.24 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 2df5 h LEU 124 Cb 0.31 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2df5 h LEU 124 CO -0.01 0.37 0.00 0.45 0.09 0.00 0.00 178.44 179.35 2df5 h HIS 125 N 0.68 0.90 0.00 1.13 3.86 -1.11 0.22 115.15 120.83 2df5 h HIS 125 Ca 0.27 -0.13 -0.06 0.00 -1.16 0.00 0.00 60.37 59.29 2df5 h HIS 125 Cb 0.11 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 2df5 h HIS 125 CO -0.07 0.82 -0.28 0.93 0.86 0.00 0.00 177.93 180.20 2df5 h GLU 126 N 0.78 0.00 -0.03 2.45 5.08 -0.74 -0.99 114.58 121.13 2df5 h GLU 126 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2df5 h GLU 126 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2df5 h GLU 126 CO 0.02 0.28 0.00 0.54 -1.00 0.00 0.00 179.01 178.85 2df5 n ARG 127 N -4.15 1.44 -1.00 2.33 5.12 -0.43 -4.90 116.66 115.06 2df5 n ARG 127 Ca -0.02 -0.64 -0.00 0.00 -1.93 0.00 0.00 57.85 55.25 2df5 n ARG 127 Cb 0.33 -1.46 -0.00 0.00 -1.16 0.00 0.00 32.46 30.17 2df5 n ARG 127 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2df5 n GLY 128 N 1.09 0.39 3.46 -0.13 0.00 -0.38 -5.03 105.19 104.59 2df5 n GLY 128 Ca 0.20 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 2df5 n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2df5 s ILE 129 N -2.00 4.66 0.02 -0.61 1.01 0.69 -4.99 121.20 119.97 2df5 s ILE 129 Ca 0.00 -0.34 -0.30 0.00 0.00 0.00 0.00 60.65 60.01 2df5 s ILE 129 Cb 0.00 -3.34 -0.07 0.00 0.01 0.00 0.00 42.46 39.06 2df5 s ILE 129 CO 0.00 0.11 1.65 -2.16 0.00 0.00 0.00 174.94 174.54 2df5 s PRO 130 N 1.63 4.20 0.12 2.79 0.04 -1.26 -3.61 135.00 138.91 2df5 s PRO 130 Ca 0.05 2.26 -0.09 0.00 0.04 0.00 0.00 61.00 63.26 2df5 s PRO 130 Cb -0.17 -3.78 -0.00 0.00 0.04 0.00 0.00 34.50 30.59 2df5 s PRO 130 CO 0.07 -0.78 0.24 0.00 0.04 0.00 0.00 177.00 176.57 2df5 s ALA 131 N 3.25 -0.16 0.21 8.56 0.00 -1.26 -1.20 121.76 131.17 2df5 s ALA 131 Ca 0.74 -0.71 -0.21 0.00 0.00 0.00 0.00 51.96 51.78 2df5 s ALA 131 Cb -0.37 0.66 0.04 0.00 0.00 0.00 0.00 23.12 23.46 2df5 s ALA 131 CO 0.31 -0.58 0.63 1.52 0.00 0.00 0.00 175.76 177.64 2df5 s TYR 132 N -3.90 -0.32 -0.15 0.00 -0.85 -0.52 -4.92 117.35 106.69 2df5 s TYR 132 Ca 0.10 -0.01 -0.19 0.00 -0.52 0.00 0.00 57.07 56.45 2df5 s TYR 132 Cb 0.04 0.58 -0.04 0.00 0.38 0.00 0.00 41.96 42.92 2df5 s TYR 132 CO -0.06 -1.01 0.54 0.42 -1.52 0.00 0.00 175.55 173.92 2df5 s ILE 133 N -3.84 5.12 -0.13 -3.49 1.01 -1.26 -1.30 121.20 117.32 2df5 s ILE 133 Ca 0.07 1.04 -0.09 0.00 0.00 0.00 0.00 60.65 61.67 2df5 s ILE 133 Cb -0.03 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 2df5 s ILE 133 CO -0.03 0.24 0.17 -0.55 0.00 0.00 0.00 174.94 174.77 2df5 s SER 134 N 0.88 6.39 0.00 3.58 0.15 0.58 -4.89 113.70 120.40 2df5 s SER 134 Ca 0.27 0.46 0.22 0.00 0.70 0.00 0.00 55.95 57.61 2df5 s SER 134 Cb -0.16 -2.10 0.60 0.00 -1.71 0.00 0.00 66.02 62.65 2df5 s SER 134 CO 0.11 0.33 1.51 0.59 1.20 0.00 0.00 173.24 176.98 2df5 n ASN 135 N 2.42 3.77 -3.65 5.45 5.03 -1.26 -1.44 115.26 125.57 2df5 n ASN 135 Ca -0.18 -2.00 -0.04 0.00 0.87 0.00 0.00 54.58 53.23 2df5 n ASN 135 Cb 0.54 -0.43 -0.06 0.00 -1.02 0.00 0.00 39.78 38.80 2df5 n ASN 135 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2df5 s SER 136 N -1.11 -0.82 -0.05 6.41 0.15 -1.26 -4.64 113.70 112.38 2df5 s SER 136 Ca 0.46 1.36 0.17 0.00 0.70 0.00 0.00 55.95 58.64 2df5 s SER 136 Cb 0.25 1.85 0.58 0.00 -1.71 0.00 0.00 66.02 66.98 2df5 s SER 136 CO 0.33 -0.22 1.47 0.00 1.20 0.00 0.00 173.24 176.01 2df5 n ALA 137 N 5.26 2.74 0.00 5.45 0.00 -1.26 -5.05 120.51 127.65 2df5 n ALA 137 Ca -0.12 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.11 2df5 n ALA 137 Cb 0.50 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.96 2df5 n ALA 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2df5 n GLY 138 N 1.21 -1.94 2.12 0.00 0.00 -1.26 -3.82 105.19 101.51 2df5 n GLY 138 Ca 0.21 -1.61 0.02 0.00 0.00 0.00 0.00 46.02 44.64 2df5 n GLY 138 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2df5 n LEU 139 N 0.00 1.31 0.00 0.99 4.77 -1.26 -4.58 117.00 118.23 2df5 n LEU 139 Ca 0.00 -2.51 0.00 0.00 -0.03 0.00 0.00 56.01 53.47 2df5 n LEU 139 Cb 0.00 0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2df5 n LEU 139 CO 0.00 0.77 0.00 0.00 -1.33 0.00 0.00 177.39 176.83 2df5 n TYR 140 N -0.04 0.00 0.09 -1.77 9.36 -1.26 -2.13 117.16 121.42 2df5 n TYR 140 Ca 0.07 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.26 2df5 n TYR 140 Cb 0.98 0.00 0.19 0.00 -0.63 0.00 0.00 39.34 39.88 2df5 n TYR 140 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2df5 h LEU 141 N 0.00 0.24 -0.05 2.98 4.07 -1.97 -1.32 115.31 119.26 2df5 h LEU 141 Ca 0.00 -0.11 -0.00 0.00 0.08 0.00 0.00 57.88 57.84 2df5 h LEU 141 Cb 0.00 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 41.67 2df5 h LEU 141 CO 0.00 0.69 0.02 0.00 -1.08 0.00 0.00 178.44 178.06 2df5 h ASN 143 N -0.10 0.43 0.07 0.00 -1.24 -1.65 -1.74 115.58 111.35 2df5 h ASN 143 Ca 0.02 -0.15 0.02 0.00 0.71 0.00 0.00 56.30 56.90 2df5 h ASN 143 Cb 0.18 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.08 2df5 h ASN 143 CO -0.00 0.70 -0.19 0.22 -1.29 0.00 0.00 177.43 176.86 2df5 h TYR 144 N 0.38 -0.51 -0.29 0.67 3.20 -0.86 0.66 116.97 120.22 2df5 h TYR 144 Ca 0.06 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 2df5 h TYR 144 Cb 0.67 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 2df5 h TYR 144 CO 0.02 -0.28 0.12 0.28 -1.64 0.00 0.00 178.16 176.66 2df5 h VAL 145 N -0.35 1.17 -0.99 1.81 2.07 -0.57 -1.39 116.25 118.00 2df5 h VAL 145 Ca 0.04 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.05 2df5 h VAL 145 Cb 0.39 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 2df5 h VAL 145 CO -0.13 0.18 0.65 -0.03 0.02 0.00 0.00 177.57 178.25 2df5 h MET 146 N 0.33 1.31 -0.00 1.57 1.85 -1.14 -1.40 114.93 117.44 2df5 h MET 146 Ca 0.10 -0.08 -0.00 0.00 -0.61 0.00 0.00 59.70 59.10 2df5 h MET 146 Cb 0.17 -0.29 -0.00 0.00 0.43 0.00 0.00 31.60 31.90 2df5 h MET 146 CO -0.01 0.87 -0.00 -0.92 -0.40 0.00 0.00 176.91 176.45 2df5 h TYR 147 N 1.35 0.01 -0.88 1.39 3.20 -0.59 -2.45 116.97 119.00 2df5 h TYR 147 Ca 0.36 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.27 2df5 h TYR 147 Cb -0.14 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.07 2df5 h TYR 147 CO 0.00 0.33 0.56 -0.07 -1.64 0.00 0.00 178.16 177.34 2df5 h LEU 148 N -0.31 0.93 -0.17 2.82 3.38 -1.06 0.94 115.31 121.84 2df5 h LEU 148 Ca 0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2df5 h LEU 148 Cb 0.32 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2df5 h LEU 148 CO 0.00 0.64 0.08 -1.28 0.09 0.00 0.00 178.44 177.97 2df5 h SER 149 N 1.09 0.23 -0.66 -0.43 0.87 -1.24 0.12 113.55 113.53 2df5 h SER 149 Ca 0.35 -0.14 -0.08 0.00 -1.23 0.00 0.00 61.79 60.70 2df5 h SER 149 Cb 0.02 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 2df5 h SER 149 CO -0.12 0.31 0.12 -0.07 -0.53 0.00 0.00 176.83 176.53 2df5 h LEU 150 N 0.14 1.05 -0.86 2.23 3.38 -1.13 -1.54 115.31 118.57 2df5 h LEU 150 Ca 0.06 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 2df5 h LEU 150 Cb 0.14 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2df5 h LEU 150 CO -0.01 1.03 0.26 -0.74 0.09 0.00 0.00 178.44 179.08 2df5 h HIS 151 N 1.03 1.13 -0.80 1.13 2.76 -0.56 -1.54 115.15 118.29 2df5 h HIS 151 Ca 0.20 -0.09 -0.04 0.00 -2.20 0.00 0.00 60.37 58.25 2df5 h HIS 151 Cb 0.43 -0.33 -0.04 0.00 1.55 0.00 0.00 27.41 29.02 2df5 h HIS 151 CO 0.03 0.87 0.36 1.25 -1.30 0.00 0.00 177.93 179.14 2df5 h HIS 152 N 1.07 1.19 -0.80 5.26 -0.00 -0.43 -0.89 115.15 120.55 2df5 h HIS 152 Ca 0.24 -0.07 0.02 0.00 -0.00 0.00 0.00 60.37 60.56 2df5 h HIS 152 Cb 0.24 -0.36 -0.05 0.00 -0.00 0.00 0.00 27.41 27.25 2df5 h HIS 152 CO 0.02 0.88 0.52 1.03 -0.00 0.00 0.00 177.93 180.38 2df5 h SER 153 N 1.15 0.88 1.42 3.26 0.87 -0.50 0.18 113.55 120.81 2df5 h SER 153 Ca 0.27 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.73 2df5 h SER 153 Cb 0.17 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2df5 h SER 153 CO -0.03 0.61 -0.43 0.00 -0.53 0.00 0.00 176.83 176.46 2df5 h ALA 154 N 1.32 0.76 0.00 6.23 0.00 -0.87 -2.02 119.26 124.68 2df5 h ALA 154 Ca 0.31 -0.39 -0.25 0.00 0.00 0.00 0.00 54.91 54.58 2df5 h ALA 154 Cb -0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 2df5 h ALA 154 CO -0.10 0.54 -1.87 0.25 0.00 0.00 0.00 179.25 178.07 2df5 n THR 155 N -3.26 1.26 0.38 0.00 -2.24 -0.38 -4.51 114.28 105.54 2df5 n THR 155 Ca 0.02 -0.76 0.04 0.00 -2.27 0.00 0.00 64.05 61.08 2df5 n THR 155 Cb 0.67 -0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 68.21 2df5 n THR 155 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2df5 n LYS 156 N -2.83 3.82 -0.75 -0.78 4.76 0.59 -5.00 118.16 117.97 2df5 n LYS 156 Ca -0.19 -0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.12 2df5 n LYS 156 Cb 0.98 -0.92 0.00 0.00 -1.84 0.00 0.00 35.03 33.25 2df5 n LYS 156 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2df5 n GLY 157 N 1.11 0.76 3.52 0.72 0.00 -0.76 -5.02 105.19 105.51 2df5 n GLY 157 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 2df5 n GLY 157 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2df5 s TYR 158 N -2.78 -0.65 0.55 1.61 -0.85 -1.21 -4.44 117.35 109.57 2df5 s TYR 158 Ca 0.00 1.27 -0.19 0.00 -0.52 0.00 0.00 57.07 57.64 2df5 s TYR 158 Cb 0.00 0.34 -0.06 0.00 0.38 0.00 0.00 41.96 42.63 2df5 s TYR 158 CO 0.00 -0.52 1.09 -1.25 -1.52 0.00 0.00 175.55 173.34 2df5 s PRO 159 N -0.74 3.42 0.29 -3.49 0.04 -1.25 -3.71 135.00 129.55 2df5 s PRO 159 Ca -0.08 1.43 0.06 0.00 0.04 0.00 0.00 61.00 62.46 2df5 s PRO 159 Cb -0.02 -2.03 0.44 0.00 0.04 0.00 0.00 34.50 32.93 2df5 s PRO 159 CO 0.07 -0.76 1.69 0.87 0.04 0.00 0.00 177.00 178.91 2df5 h LYS 160 N 1.04 0.25 -5.23 4.56 1.57 -1.65 -3.42 116.57 113.69 2df5 h LYS 160 Ca -0.49 -0.12 -0.67 0.00 -1.87 0.00 0.00 60.65 57.50 2df5 h LYS 160 Cb 1.24 -0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.24 2df5 h LYS 160 CO 0.57 0.63 -0.82 -1.64 -0.57 0.00 0.00 179.45 177.63 2df5 s MET 161 N -4.13 3.19 -0.07 3.15 -1.94 -1.01 -4.89 119.30 113.60 2df5 s MET 161 Ca -0.05 -0.77 -0.06 0.00 -1.71 0.00 0.00 55.69 53.10 2df5 s MET 161 Cb 0.13 -2.56 0.02 0.00 2.01 0.00 0.00 34.83 34.43 2df5 s MET 161 CO 0.77 0.06 0.18 0.45 -0.01 0.00 0.00 175.02 176.47 2df5 s SER 162 N 0.70 -0.19 0.27 3.03 0.15 -1.26 -0.30 113.70 116.10 2df5 s SER 162 Ca -0.08 0.36 -0.18 0.00 0.70 0.00 0.00 55.95 56.76 2df5 s SER 162 Cb -0.16 0.37 0.07 0.00 -1.71 0.00 0.00 66.02 64.58 2df5 s SER 162 CO 0.02 -0.06 0.88 0.61 1.20 0.00 0.00 173.24 175.88 2df5 n GLY 163 N 3.01 0.81 2.89 9.45 0.00 -0.64 -1.26 105.19 119.44 2df5 n GLY 163 Ca -0.13 -1.19 -0.13 0.00 0.00 0.00 0.00 46.02 44.58 2df5 n GLY 163 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2df5 s PHE 164 N -2.35 0.08 -0.06 1.61 2.19 -1.26 -1.71 117.98 116.48 2df5 s PHE 164 Ca 0.19 -0.03 0.04 0.00 0.33 0.00 0.00 56.93 57.45 2df5 s PHE 164 Cb -0.04 -0.05 0.00 0.00 -1.31 0.00 0.00 43.02 41.62 2df5 s PHE 164 CO 0.08 -0.01 -0.17 0.42 1.83 0.00 0.00 175.22 177.38 2df5 s ILE 165 N -0.06 1.46 -0.14 3.12 1.01 0.85 -1.29 121.20 126.15 2df5 s ILE 165 Ca -0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 59.91 2df5 s ILE 165 Cb -0.01 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.16 2df5 s ILE 165 CO -0.00 0.42 0.00 -1.00 0.00 0.00 0.00 174.94 174.37 2df5 s HIS 166 N 0.29 3.14 0.01 3.97 3.76 0.09 -0.87 115.29 125.67 2df5 s HIS 166 Ca -0.10 -0.02 0.05 0.00 -0.15 0.00 0.00 55.06 54.84 2df5 s HIS 166 Cb -0.14 -1.93 -0.03 0.00 1.11 0.00 0.00 32.58 31.59 2df5 s HIS 166 CO 0.04 0.19 -0.14 0.14 -0.85 0.00 0.00 174.74 174.12 2df5 s VAL 167 N -0.07 3.08 1.21 -0.90 -7.23 0.35 -1.59 120.40 115.25 2df5 s VAL 167 Ca 0.04 -0.95 -0.17 0.00 -1.81 0.00 0.00 61.98 59.08 2df5 s VAL 167 Cb -0.13 -2.29 0.29 0.00 0.56 0.00 0.00 36.38 34.82 2df5 s VAL 167 CO 0.02 0.42 1.04 -2.84 -0.31 0.00 0.00 175.10 173.43 2df5 s PRO 168 N -1.24 -1.24 0.91 4.82 0.02 -1.26 -1.34 135.00 135.66 2df5 s PRO 168 Ca 0.14 0.35 -0.10 0.00 0.02 0.00 0.00 61.00 61.41 2df5 s PRO 168 Cb -0.11 -1.56 0.14 0.00 0.02 0.00 0.00 34.50 33.00 2df5 s PRO 168 CO 0.05 -3.81 1.16 0.71 -0.33 0.00 0.00 177.00 174.77 2df5 s TYR 169 N -2.67 1.60 0.02 6.54 2.02 -1.26 -4.70 117.35 118.90 2df5 s TYR 169 Ca 0.68 1.79 -0.04 0.00 -0.37 0.00 0.00 57.07 59.14 2df5 s TYR 169 Cb -0.17 -3.38 -0.04 0.00 -0.40 0.00 0.00 41.96 37.97 2df5 s TYR 169 CO 0.59 -2.86 0.23 -1.50 -1.57 0.00 0.00 175.55 170.44 2df5 s ILE 170 N -2.58 5.37 0.19 2.71 1.10 -1.26 -1.16 121.20 125.57 2df5 s ILE 170 Ca 0.68 -0.07 -0.24 0.00 -0.51 0.00 0.00 60.65 60.51 2df5 s ILE 170 Cb -0.24 -3.57 0.09 0.00 0.15 0.00 0.00 42.46 38.90 2df5 s ILE 170 CO 0.57 0.29 1.56 -0.65 -2.11 0.00 0.00 174.94 174.60 2df5 h PRO 171 N 3.70 -0.08 0.00 3.50 0.11 -1.93 0.04 132.00 137.34 2df5 h PRO 171 Ca -0.49 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2df5 h PRO 171 Cb 1.19 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2df5 h PRO 171 CO 0.69 -0.06 0.09 1.05 -0.21 0.00 0.00 178.00 179.57 2df5 h GLU 172 N -0.09 0.00 0.00 1.05 4.11 -1.96 -0.30 114.58 117.40 2df5 h GLU 172 Ca 0.24 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.65 2df5 h GLU 172 Cb 0.54 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2df5 h GLU 172 CO -0.86 0.00 -0.09 1.96 0.07 0.00 0.00 179.01 180.08 2df5 h GLN 173 N 0.00 0.00 0.00 1.06 4.20 -1.38 -3.23 115.11 115.76 2df5 h GLN 173 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 2df5 h GLN 173 Cb 0.19 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 2df5 h GLN 173 CO 0.00 0.09 -0.35 0.82 -0.67 0.00 0.00 178.83 178.73 2df5 h ILE 174 N 0.00 0.19 -0.98 2.54 1.08 -1.07 -3.35 117.51 115.93 2df5 h ILE 174 Ca -0.00 -1.29 0.14 0.00 -0.39 0.00 0.00 64.86 63.32 2df5 h ILE 174 Cb 0.94 2.00 -0.09 0.00 -3.07 0.00 0.00 36.82 36.60 2df5 h ILE 174 CO 0.01 0.11 0.62 0.40 -0.69 0.00 0.00 178.15 178.60 2df5 h ILE 175 N 0.00 0.85 0.00 -0.67 5.03 -1.62 -1.65 117.51 119.46 2df5 h ILE 175 Ca -0.01 -0.30 0.00 0.00 -0.12 0.00 0.00 64.86 64.43 2df5 h ILE 175 Cb 1.11 -0.11 0.00 0.00 -3.03 0.00 0.00 36.82 34.79 2df5 h ILE 175 CO 0.02 0.16 0.00 0.47 -0.68 0.00 0.00 178.15 178.12 2df5 n ASP 176 N -4.64 1.63 -3.37 1.72 9.92 -1.26 -4.53 116.55 116.03 2df5 n ASP 176 Ca 0.20 -1.64 -0.13 0.00 -0.53 0.00 0.00 54.79 52.69 2df5 n ASP 176 Cb 0.43 -0.41 -0.08 0.00 -0.64 0.00 0.00 41.12 40.42 2df5 n ASP 176 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2df5 s LYS 177 N -0.41 0.34 0.00 -1.24 1.02 -0.62 -4.96 119.74 113.87 2df5 s LYS 177 Ca 0.00 0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.11 2df5 s LYS 177 Cb 0.00 -0.57 0.00 0.00 -0.52 0.00 0.00 37.83 36.74 2df5 s LYS 177 CO 0.00 -0.91 0.00 0.44 -0.92 0.00 0.00 175.35 173.96 2df5 n ILE 178 N 5.34 0.00 0.44 2.17 -5.35 -1.26 -4.78 119.36 115.91 2df5 n ILE 178 Ca -0.02 0.00 0.09 0.00 -0.27 0.00 0.00 62.75 62.55 2df5 n ILE 178 Cb 0.48 0.19 -0.12 0.00 -1.74 0.00 0.00 39.64 38.46 2df5 n ILE 178 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2df5 n GLY 179 N 0.00 -0.73 0.00 3.28 0.00 -1.26 -4.85 105.19 101.63 2df5 n GLY 179 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2df5 n GLY 179 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2df5 n LYS 180 N -1.74 0.00 0.00 1.61 4.76 -1.26 -5.07 118.16 116.45 2df5 n LYS 180 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2df5 n LYS 180 Cb 0.36 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.55 2df5 n LYS 180 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2df5 n GLY 181 N 3.11 5.05 3.69 0.72 0.00 -1.26 -5.07 105.19 111.43 2df5 n GLY 181 Ca 0.00 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 2df5 n GLY 181 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2df5 s GLN 182 N 2.12 4.28 -0.34 1.61 2.00 -1.26 -4.80 119.66 123.27 2df5 s GLN 182 Ca 0.00 1.94 -0.43 0.00 -2.00 0.00 0.00 55.36 54.87 2df5 s GLN 182 Cb 0.00 -3.60 -0.18 0.00 0.80 0.00 0.00 33.01 30.03 2df5 s GLN 182 CO 0.00 -0.58 1.58 1.55 -0.50 0.00 0.00 175.29 177.34 2df5 n VAL 183 N 4.73 0.11 -1.79 1.34 3.14 -1.26 -4.90 118.33 119.70 2df5 n VAL 183 Ca 0.13 -0.02 -0.36 0.00 -2.96 0.00 0.00 64.34 61.14 2df5 n VAL 183 Cb 0.44 -0.72 0.06 0.00 -1.06 0.00 0.00 33.84 32.55 2df5 n VAL 183 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 2df5 s PRO 184 N 2.75 2.65 0.71 1.45 0.02 -1.26 -5.00 135.00 136.32 2df5 s PRO 184 Ca 1.00 1.86 -0.13 0.00 0.02 0.00 0.00 61.00 63.75 2df5 s PRO 184 Cb -1.30 -1.88 0.03 0.00 0.02 0.00 0.00 34.50 31.37 2df5 s PRO 184 CO 0.72 -1.47 1.11 -2.14 -0.33 0.00 0.00 177.00 174.88 2df5 s PRO 185 N -3.52 2.54 0.23 5.54 0.02 -1.26 -4.99 135.00 133.57 2df5 s PRO 185 Ca 0.78 1.32 -0.09 0.00 0.02 0.00 0.00 61.00 63.02 2df5 s PRO 185 Cb -0.32 -1.92 -0.02 0.00 0.02 0.00 0.00 34.50 32.27 2df5 s PRO 185 CO 0.38 -1.44 0.36 -1.54 -0.33 0.00 0.00 177.00 174.43 2df5 s SER 186 N -2.89 -0.01 -0.04 2.53 1.04 -1.26 -4.00 113.70 109.07 2df5 s SER 186 Ca 0.65 -1.07 -0.02 0.00 0.48 0.00 0.00 55.95 55.99 2df5 s SER 186 Cb -0.19 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.47 2df5 s SER 186 CO 0.48 -1.04 0.10 -0.32 0.98 0.00 0.00 173.24 173.44 2df5 s MET 187 N -4.06 0.07 0.39 4.02 1.75 -0.31 -4.92 119.30 116.24 2df5 s MET 187 Ca 0.27 0.25 -0.27 0.00 -1.25 0.00 0.00 55.69 54.69 2df5 s MET 187 Cb 0.02 -0.11 -0.10 0.00 2.84 0.00 0.00 34.83 37.48 2df5 s MET 187 CO 0.10 -0.11 1.41 0.00 -0.65 0.00 0.00 175.02 175.77 2df5 h TYR 189 N 2.84 -0.54 -0.95 0.00 3.20 -1.97 -1.26 116.97 118.30 2df5 h TYR 189 Ca -0.50 0.07 0.19 0.00 3.14 0.00 0.00 58.73 61.63 2df5 h TYR 189 Cb 1.24 0.34 -0.11 0.00 1.54 0.00 0.00 36.73 39.75 2df5 h TYR 189 CO 0.53 -0.33 0.53 0.93 -1.64 0.00 0.00 178.16 178.17 2df5 h GLU 190 N -0.04 0.62 -0.09 1.82 3.07 -1.99 0.11 114.58 118.07 2df5 h GLU 190 Ca 0.32 -0.04 -0.13 0.00 -0.50 0.00 0.00 59.36 59.02 2df5 h GLU 190 Cb 0.54 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 2df5 h GLU 190 CO -0.74 0.41 -0.50 1.98 -1.40 0.00 0.00 179.01 178.76 2df5 h MET 191 N 0.63 0.24 -0.17 2.33 4.05 -1.60 -1.86 114.93 118.55 2df5 h MET 191 Ca 0.56 -0.14 -0.13 0.00 -0.28 0.00 0.00 59.70 59.71 2df5 h MET 191 Cb 0.92 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.73 2df5 h MET 191 CO -0.42 0.69 -0.40 0.93 0.23 0.00 0.00 176.91 177.94 2df5 h GLU 192 N 0.19 0.57 -0.27 0.39 5.08 -0.60 -1.50 114.58 118.44 2df5 h GLU 192 Ca 0.01 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2df5 h GLU 192 Cb 0.96 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 2df5 h GLU 192 CO 0.08 1.00 0.17 1.25 -1.00 0.00 0.00 179.01 180.51 2df5 h LEU 193 N 0.22 0.29 -0.90 1.33 5.85 -0.82 -2.10 115.31 119.19 2df5 h LEU 193 Ca -0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2df5 h LEU 193 Cb 1.01 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 2df5 h LEU 193 CO 0.09 0.21 0.54 -0.08 -0.34 0.00 0.00 178.44 178.86 2df5 h GLU 194 N 0.35 1.22 -0.59 1.25 4.81 -1.35 -1.92 114.58 118.35 2df5 h GLU 194 Ca 0.10 -0.11 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2df5 h GLU 194 Cb -0.03 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 29.05 2df5 h GLU 194 CO -0.03 0.85 0.34 0.00 -0.73 0.00 0.00 179.01 179.44 2df5 h ALA 195 N 1.29 0.77 -0.42 2.92 0.00 -0.82 0.15 119.26 123.16 2df5 h ALA 195 Ca 0.32 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 2df5 h ALA 195 Cb -0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2df5 h ALA 195 CO -0.06 0.03 -0.18 0.28 0.00 0.00 0.00 179.25 179.33 2df5 h VAL 196 N 0.65 1.28 -0.86 0.00 2.07 -1.10 -2.03 116.25 116.26 2df5 h VAL 196 Ca 0.25 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 2df5 h VAL 196 Cb 0.10 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 2df5 h VAL 196 CO -0.14 0.44 0.47 0.50 0.02 0.00 0.00 177.57 178.87 2df5 h LYS 197 N 0.69 1.19 -0.69 1.57 3.64 -0.78 -1.78 116.57 120.41 2df5 h LYS 197 Ca 0.10 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 2df5 h LYS 197 Cb 0.73 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 2df5 h LYS 197 CO 0.06 0.87 0.20 0.28 -2.27 0.00 0.00 179.45 178.59 2df5 h VAL 198 N 1.20 1.25 -0.81 2.00 2.07 -0.56 -0.85 116.25 120.55 2df5 h VAL 198 Ca 0.30 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 2df5 h VAL 198 Cb 0.02 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 2df5 h VAL 198 CO -0.05 0.35 0.49 0.00 0.02 0.00 0.00 177.57 178.38 2df5 h ALA 199 N 1.18 1.03 -0.54 1.67 0.00 -0.62 0.21 119.26 122.19 2df5 h ALA 199 Ca 0.22 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2df5 h ALA 199 Cb 0.31 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2df5 h ALA 199 CO -0.00 0.49 0.13 0.82 0.00 0.00 0.00 179.25 180.68 2df5 h ILE 200 N 1.11 1.24 -0.32 0.00 2.04 -0.77 -1.04 117.51 119.78 2df5 h ILE 200 Ca 0.29 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 2df5 h ILE 200 Cb -0.05 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2df5 h ILE 200 CO -0.06 0.32 0.16 -0.33 0.00 0.00 0.00 178.15 178.24 2df5 h GLU 201 N 0.76 0.45 -0.48 2.37 5.08 -0.62 -0.07 114.58 122.09 2df5 h GLU 201 Ca 0.17 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 2df5 h GLU 201 Cb 0.34 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2df5 h GLU 201 CO 0.00 0.42 -0.03 0.28 -1.00 0.00 0.00 179.01 178.68 2df5 h VAL 202 N 0.38 1.25 -0.23 3.13 2.07 -0.88 -0.52 116.25 121.45 2df5 h VAL 202 Ca 0.11 -1.05 -0.13 0.00 0.82 0.00 0.00 66.70 66.45 2df5 h VAL 202 Cb 0.11 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2df5 h VAL 202 CO -0.01 0.37 -0.38 0.00 0.02 0.00 0.00 177.57 177.56 2df5 h ALA 203 N 1.22 0.91 -0.35 1.67 0.00 -0.98 -0.25 119.26 121.48 2df5 h ALA 203 Ca 0.14 -0.42 -0.16 0.00 0.00 0.00 0.00 54.91 54.47 2df5 h ALA 203 Cb 0.49 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2df5 h ALA 203 CO 0.02 0.63 -0.40 -0.07 0.00 0.00 0.00 179.25 179.44 2df5 h LEU 204 N 0.43 0.92 -0.62 0.00 3.38 -0.56 -2.18 115.31 116.68 2df5 h LEU 204 Ca 0.04 -0.42 -0.12 0.00 0.09 0.00 0.00 57.88 57.47 2df5 h LEU 204 Cb 0.86 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2df5 h LEU 204 CO 0.07 1.20 -0.16 0.74 0.09 0.00 0.00 178.44 180.38 2df5 h THR 205 N 0.70 1.27 -0.19 0.22 2.02 -0.87 -2.66 112.91 113.40 2df5 h THR 205 Ca 0.06 -1.30 -0.07 0.00 0.77 0.00 0.00 66.41 65.86 2df5 h THR 205 Cb 0.97 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 2df5 h THR 205 CO 0.09 0.45 -0.21 -0.61 0.37 0.00 0.00 175.52 175.61 2df5 h GLN 206 N 0.81 0.33 -0.29 6.66 5.75 -0.93 -2.87 115.11 124.57 2df5 h GLN 206 Ca 0.12 -0.10 -0.16 0.00 -0.15 0.00 0.00 58.65 58.36 2df5 h GLN 206 Cb 0.71 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.22 2df5 h GLN 206 CO 0.05 0.53 -0.43 0.22 -2.65 0.00 0.00 178.83 176.56 2df5 h ASP 207 N 0.30 0.87 0.49 -0.69 1.82 -1.18 -1.90 116.42 116.13 2df5 h ASP 207 Ca 0.05 -0.51 -0.01 0.00 -0.39 0.00 0.00 57.03 56.17 2df5 h ASP 207 Cb 0.55 -0.25 -0.00 0.00 0.68 0.00 0.00 39.33 40.31 2df5 h ASP 207 CO 0.04 1.21 -0.05 0.00 -1.61 0.00 0.00 179.24 178.83 2df5 h MET 208 N 0.55 0.00 0.13 0.28 -0.00 -1.34 -2.13 114.93 112.42 2df5 h MET 208 Ca 0.03 0.00 -0.30 0.00 -0.00 0.00 0.00 59.70 59.43 2df5 h MET 208 Cb 1.03 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.62 2df5 h MET 208 CO 0.10 0.05 -1.47 0.82 -0.00 0.00 0.00 176.91 176.40 2df5 h ILE 209 N 0.00 1.23 -0.77 -0.10 2.04 -1.29 -3.31 117.51 115.31 2df5 h ILE 209 Ca -0.00 -2.84 0.15 0.00 1.00 0.00 0.00 64.86 63.17 2df5 h ILE 209 Cb 0.30 2.81 -0.05 0.00 -0.74 0.00 0.00 36.82 39.14 2df5 h ILE 209 CO 0.01 0.83 0.51 0.78 0.00 0.00 0.00 178.15 180.28 2df5 h ASN 210 N 0.07 0.39 -1.09 1.72 2.35 -0.64 -2.68 115.58 115.71 2df5 h ASN 210 Ca -0.22 0.02 -0.74 0.00 -0.55 0.00 0.00 56.30 54.81 2df5 h ASN 210 Cb 2.02 -0.05 -0.11 0.00 0.05 0.00 0.00 38.32 40.22 2df5 h ASN 210 CO 0.18 0.20 2.50 2.29 -1.65 0.00 0.00 177.43 180.95 2df5 n LYS 211 N -4.48 4.51 0.11 0.81 2.85 -1.22 -4.12 118.16 116.62 2df5 n LYS 211 Ca 0.15 -3.38 0.00 0.00 -1.05 0.00 0.00 58.31 54.02 2df5 n LYS 211 Cb 0.54 -2.65 0.00 0.00 -0.65 0.00 0.00 35.03 32.27 2df5 n LYS 211 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2df5 n SER 212 N 1.92 -1.93 0.00 -5.58 7.64 -1.01 -5.05 113.62 109.61 2df5 n SER 212 Ca 0.63 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.93 2df5 n SER 212 Cb 0.25 2.06 0.00 0.00 -1.01 0.00 0.00 64.21 65.50 2df5 n SER 212 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44