#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iof s LYS 2 N 0.00 2.45 -0.09 0.03 1.02 -1.26 -1.56 119.74 120.32 1iof s LYS 2 Ca 0.00 -0.79 0.03 0.00 0.02 0.00 0.00 55.97 55.24 1iof s LYS 2 Cb 0.00 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 34.87 1iof s LYS 2 CO 0.00 0.58 -0.21 0.08 -0.92 0.00 0.00 175.35 174.88 1iof s VAL 3 N -1.02 1.82 -0.14 3.17 1.01 -0.70 -1.63 120.40 122.92 1iof s VAL 3 Ca 0.17 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 1iof s VAL 3 Cb -0.11 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1iof s VAL 3 CO 0.08 0.51 0.09 -0.22 0.00 0.00 0.00 175.10 175.56 1iof s LEU 4 N 0.47 4.07 -0.11 3.92 0.20 -0.30 -0.72 118.68 126.21 1iof s LEU 4 Ca -0.17 0.29 0.02 0.00 0.69 0.00 0.00 54.13 54.96 1iof s LEU 4 Cb -0.17 -1.99 0.01 0.00 -0.43 0.00 0.00 46.19 43.60 1iof s LEU 4 CO 0.07 0.33 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.58 1iof s VAL 5 N -0.53 1.73 0.33 1.68 1.01 -0.38 -0.99 120.40 123.25 1iof s VAL 5 Ca 0.11 -0.79 0.09 0.00 0.00 0.00 0.00 61.98 61.39 1iof s VAL 5 Cb -0.12 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 1iof s VAL 5 CO 0.02 0.49 0.07 0.42 0.00 0.00 0.00 175.10 176.10 1iof s THR 6 N 0.82 2.97 0.31 3.92 -4.23 -0.63 -1.30 115.64 117.50 1iof s THR 6 Ca -0.09 -1.83 -0.00 0.00 -1.18 0.00 0.00 61.69 58.59 1iof s THR 6 Cb -0.16 -2.89 -0.02 0.00 1.34 0.00 0.00 72.50 70.78 1iof s THR 6 CO 0.00 -0.22 0.36 -0.83 -0.54 0.00 0.00 174.62 173.38 1iof s GLY 7 N -3.77 1.66 0.29 3.99 0.00 -0.40 -2.10 107.32 106.99 1iof s GLY 7 Ca 0.36 -1.67 0.11 0.00 0.00 0.00 0.00 44.72 43.52 1iof s GLY 7 CO 0.21 -1.18 -0.16 -1.36 0.00 0.00 0.00 173.10 170.61 1iof s PHE 8 N -3.44 2.36 1.30 1.90 0.40 -1.26 0.11 117.98 119.35 1iof s PHE 8 Ca 0.34 -0.33 -0.20 0.00 -0.60 0.00 0.00 56.93 56.14 1iof s PHE 8 Cb 0.02 -1.07 0.32 0.00 0.51 0.00 0.00 43.02 42.80 1iof s PHE 8 CO 0.20 0.69 1.02 -1.21 0.70 0.00 0.00 175.22 176.62 1iof s GLU 9 N -3.55 -1.96 -0.15 0.44 2.02 -1.07 -2.96 118.70 111.47 1iof s GLU 9 Ca 0.31 0.09 -0.29 0.00 0.02 0.00 0.00 54.97 55.10 1iof s GLU 9 Cb -0.04 -1.50 -0.06 0.00 0.10 0.00 0.00 34.13 32.63 1iof s GLU 9 CO 0.16 -4.23 2.15 -2.14 0.02 0.00 0.00 175.26 171.22 1iof s PRO 10 N -5.19 3.41 0.92 0.39 0.02 -1.26 -4.73 135.00 128.56 1iof s PRO 10 Ca 0.70 2.20 -0.12 0.00 0.02 0.00 0.00 61.00 63.80 1iof s PRO 10 Cb -0.12 -4.32 0.14 0.00 0.02 0.00 0.00 34.50 30.22 1iof s PRO 10 CO 0.57 -1.79 1.09 -0.06 -0.33 0.00 0.00 177.00 176.49 1iof s PHE 11 N 7.24 2.20 0.03 6.54 0.08 -1.26 -4.90 117.98 127.91 1iof s PHE 11 Ca 0.97 1.28 -0.36 0.00 0.12 0.00 0.00 56.93 58.94 1iof s PHE 11 Cb -0.36 -3.17 -0.15 0.00 -0.57 0.00 0.00 43.02 38.77 1iof s PHE 11 CO 0.37 -2.54 1.51 0.41 -0.10 0.00 0.00 175.22 174.87 1iof n GLY 12 N -0.90 0.78 0.00 4.36 0.00 -1.26 -2.95 105.19 105.23 1iof n GLY 12 Ca 0.07 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.83 1iof n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iof n GLY 13 N 3.18 2.53 3.76 -0.02 0.00 -1.26 -5.04 105.19 108.34 1iof n GLY 13 Ca 0.20 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 1iof n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iof s GLU 14 N 0.00 3.39 0.02 1.61 0.41 -1.15 -4.95 118.70 118.03 1iof s GLU 14 Ca 0.00 1.94 0.22 0.00 -0.41 0.00 0.00 54.97 56.73 1iof s GLU 14 Cb 0.00 -2.26 -0.21 0.00 -1.78 0.00 0.00 34.13 29.88 1iof s GLU 14 CO 0.00 -0.90 0.71 1.17 -0.49 0.00 0.00 175.26 175.75 1iof n LYS 15 N -0.89 0.49 -4.11 1.61 3.00 -1.26 -4.68 118.16 112.32 1iof n LYS 15 Ca 0.10 -0.09 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 1iof n LYS 15 Cb 0.47 -1.57 -0.13 0.00 0.00 0.00 0.00 35.03 33.80 1iof n LYS 15 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1iof s ILE 16 N -3.37 0.46 -0.24 3.15 2.07 -1.26 -4.86 121.20 117.17 1iof s ILE 16 Ca -0.03 -0.63 0.01 0.00 -1.41 0.00 0.00 60.65 58.59 1iof s ILE 16 Cb 0.14 -0.47 0.06 0.00 0.13 0.00 0.00 42.46 42.32 1iof s ILE 16 CO 0.87 -0.12 -0.05 0.21 -1.91 0.00 0.00 174.94 173.93 1iof s ASN 17 N -0.82 3.84 0.40 4.50 3.84 -1.26 -4.83 114.94 120.61 1iof s ASN 17 Ca -0.04 -1.18 0.27 0.00 0.21 0.00 0.00 52.86 52.12 1iof s ASN 17 Cb -0.06 -1.17 1.44 0.00 -0.55 0.00 0.00 41.25 40.92 1iof s ASN 17 CO 0.00 -0.24 1.81 1.55 -2.79 0.00 0.00 177.10 177.43 1iof h PRO 18 N 7.96 0.00 0.00 0.43 0.13 -1.93 -2.37 132.00 136.22 1iof h PRO 18 Ca -0.18 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.88 1iof h PRO 18 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1iof h PRO 18 CO 0.41 0.00 -0.38 1.79 -0.23 0.00 0.00 178.00 179.60 1iof h THR 19 N 0.00 0.56 -0.70 1.56 1.35 -1.92 -1.37 112.91 112.39 1iof h THR 19 Ca 0.00 -1.80 -0.00 0.00 -0.55 0.00 0.00 66.41 64.06 1iof h THR 19 Cb 0.01 2.26 -0.03 0.00 -1.73 0.00 0.00 68.15 68.66 1iof h THR 19 CO 0.00 0.32 0.42 -0.08 -0.25 0.00 0.00 175.52 175.92 1iof h GLU 20 N 0.00 0.95 -0.28 4.72 4.81 -1.31 -1.67 114.58 121.79 1iof h GLU 20 Ca -0.01 -0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 58.99 1iof h GLU 20 Cb 1.26 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 1iof h GLU 20 CO 0.04 0.68 -0.37 0.00 -0.73 0.00 0.00 179.01 178.62 1iof h ARG 21 N 0.95 0.75 -0.89 1.92 3.08 -1.59 -2.50 114.38 116.10 1iof h ARG 21 Ca 0.25 -0.43 0.03 0.00 0.07 0.00 0.00 59.98 59.89 1iof h ARG 21 Cb -0.02 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.01 1iof h ARG 21 CO -0.05 1.06 0.58 0.82 -1.07 0.00 0.00 179.97 181.32 1iof h ILE 22 N 0.50 1.18 -0.22 2.04 2.04 -1.06 -1.03 117.51 120.95 1iof h ILE 22 Ca 0.03 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 1iof h ILE 22 Cb 0.96 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1iof h ILE 22 CO 0.09 0.21 0.02 0.00 0.00 0.00 0.00 178.15 178.47 1iof h ALA 23 N 1.47 0.30 -0.43 1.87 0.00 -1.16 -2.35 119.26 118.96 1iof h ALA 23 Ca 0.34 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1iof h ALA 23 Cb -0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1iof h ALA 23 CO -0.09 -0.01 -0.06 0.87 0.00 0.00 0.00 179.25 179.96 1iof h LYS 24 N 0.17 0.73 0.00 0.00 1.57 -1.13 -2.55 116.57 115.35 1iof h LYS 24 Ca 0.07 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1iof h LYS 24 Cb 0.35 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1iof h LYS 24 CO 0.01 0.78 -0.07 -0.44 -0.57 0.00 0.00 179.45 179.16 1iof h ASP 25 N 0.67 0.00 0.03 0.86 3.45 -1.02 -3.03 116.42 117.38 1iof h ASP 25 Ca 0.13 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.59 1iof h ASP 25 Cb 0.50 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.27 1iof h ASP 25 CO 0.03 0.07 -0.67 0.18 -1.57 0.00 0.00 179.24 177.27 1iof n LEU 26 N -3.14 1.51 -4.69 1.55 4.77 -0.90 -4.85 117.00 111.24 1iof n LEU 26 Ca 0.02 -0.60 -0.42 0.00 -0.03 0.00 0.00 56.01 54.98 1iof n LEU 26 Cb 0.45 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.50 1iof n LEU 26 CO 0.32 0.31 1.21 -0.62 -1.33 0.00 0.00 177.39 177.27 1iof s ASP 27 N -2.71 6.75 0.00 -1.43 3.68 -0.98 -2.29 116.67 119.69 1iof s ASP 27 Ca 0.14 2.26 0.00 0.00 2.13 0.00 0.00 52.55 57.09 1iof s ASP 27 Cb 0.17 -2.56 0.00 0.00 -1.45 0.00 0.00 42.92 39.08 1iof s ASP 27 CO 0.69 -0.79 0.00 0.61 0.13 0.00 0.00 175.17 175.81 1iof n GLY 28 N 3.79 0.93 3.93 2.66 0.00 -0.15 -4.91 105.19 111.44 1iof n GLY 28 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 1iof n GLY 28 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1iof s ILE 29 N -3.17 2.10 -0.03 -0.61 -4.36 -0.97 -4.79 121.20 109.37 1iof s ILE 29 Ca 0.00 -0.16 0.02 0.00 -0.26 0.00 0.00 60.65 60.25 1iof s ILE 29 Cb 0.00 -2.95 0.01 0.00 1.25 0.00 0.00 42.46 40.77 1iof s ILE 29 CO 0.00 0.00 -0.08 -0.54 0.24 0.00 0.00 174.94 174.56 1iof s LYS 30 N -5.52 0.97 -0.22 0.37 1.02 -1.26 -1.29 119.74 113.82 1iof s LYS 30 Ca 0.66 -0.28 0.02 0.00 0.02 0.00 0.00 55.97 56.39 1iof s LYS 30 Cb -0.08 -0.90 0.04 0.00 -0.52 0.00 0.00 37.83 36.37 1iof s LYS 30 CO 0.48 0.08 -0.15 0.42 -0.92 0.00 0.00 175.35 175.26 1iof s ILE 31 N 0.32 2.04 0.00 2.17 1.01 -0.70 -4.91 121.20 121.14 1iof s ILE 31 Ca -0.05 -1.24 0.00 0.00 0.00 0.00 0.00 60.65 59.35 1iof s ILE 31 Cb -0.10 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.36 1iof s ILE 31 CO 0.01 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.80 1iof n GLY 32 N 4.55 3.24 0.47 6.18 0.00 -1.26 -1.26 105.19 117.11 1iof n GLY 32 Ca -0.17 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 45.85 1iof n GLY 32 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1iof n ASP 33 N 9.30 2.20 -4.62 1.61 5.75 -1.26 -4.97 116.55 124.56 1iof n ASP 33 Ca 0.00 -3.51 -0.35 0.00 -0.01 0.00 0.00 54.79 50.93 1iof n ASP 33 Cb 0.00 -0.50 -0.10 0.00 -1.03 0.00 0.00 41.12 39.49 1iof n ASP 33 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1iof s ALA 34 N -3.07 3.38 0.27 2.12 0.00 -0.39 -4.06 121.76 120.01 1iof s ALA 34 Ca 0.37 -0.77 -0.27 0.00 0.00 0.00 0.00 51.96 51.29 1iof s ALA 34 Cb 0.34 -1.92 -0.09 0.00 0.00 0.00 0.00 23.12 21.44 1iof s ALA 34 CO -0.01 0.13 0.91 -1.14 0.00 0.00 0.00 175.76 175.65 1iof s GLN 35 N 0.45 4.64 -0.08 0.00 -0.44 -0.60 -1.71 119.66 121.92 1iof s GLN 35 Ca 0.03 1.32 0.02 0.00 -2.50 0.00 0.00 55.36 54.23 1iof s GLN 35 Cb -0.13 -3.00 -0.02 0.00 -1.64 0.00 0.00 33.01 28.23 1iof s GLN 35 CO 0.01 0.39 -0.14 0.08 0.50 0.00 0.00 175.29 176.13 1iof s VAL 36 N -1.43 3.04 0.16 1.34 1.01 -0.41 -1.72 120.40 122.38 1iof s VAL 36 Ca 0.45 -0.71 0.10 0.00 0.00 0.00 0.00 61.98 61.82 1iof s VAL 36 Cb -0.21 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1iof s VAL 36 CO 0.26 0.57 -0.19 -0.36 0.00 0.00 0.00 175.10 175.38 1iof s PHE 37 N -0.35 2.46 -0.03 5.22 0.40 0.10 -0.98 117.98 124.80 1iof s PHE 37 Ca 0.03 -0.30 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 1iof s PHE 37 Cb -0.12 -1.26 0.02 0.00 0.51 0.00 0.00 43.02 42.17 1iof s PHE 37 CO 0.02 0.45 -0.02 0.20 0.70 0.00 0.00 175.22 176.57 1iof s GLY 38 N -2.47 0.31 0.06 4.36 0.00 -1.26 -1.25 107.32 107.08 1iof s GLY 38 Ca 0.20 0.09 0.02 0.00 0.00 0.00 0.00 44.72 45.03 1iof s GLY 38 CO 0.11 0.53 -0.07 0.50 0.00 0.00 0.00 173.10 174.17 1iof s ARG 39 N 0.97 0.62 -0.23 2.90 1.81 -0.42 -4.76 118.95 119.84 1iof s ARG 39 Ca -0.10 -0.95 -0.03 0.00 -1.72 0.00 0.00 55.73 52.93 1iof s ARG 39 Cb -0.14 -0.23 0.01 0.00 -0.45 0.00 0.00 34.95 34.13 1iof s ARG 39 CO -0.01 0.02 -0.06 0.08 -0.68 0.00 0.00 175.30 174.65 1iof s VAL 40 N -2.18 3.10 0.28 3.52 1.01 -1.26 -1.27 120.40 123.60 1iof s VAL 40 Ca -0.03 -0.71 -0.22 0.00 0.00 0.00 0.00 61.98 61.02 1iof s VAL 40 Cb -0.05 -2.46 -0.09 0.00 0.00 0.00 0.00 36.38 33.79 1iof s VAL 40 CO -0.02 0.35 0.82 -0.76 0.00 0.00 0.00 175.10 175.50 1iof s LEU 41 N 1.41 4.30 0.65 3.92 1.43 0.12 -4.90 118.68 125.61 1iof s LEU 41 Ca 0.04 1.58 -0.16 0.00 -1.03 0.00 0.00 54.13 54.56 1iof s LEU 41 Cb -0.15 -3.84 -0.00 0.00 0.03 0.00 0.00 46.19 42.22 1iof s LEU 41 CO -0.05 -0.05 1.13 -2.16 0.23 0.00 0.00 176.35 175.46 1iof s PRO 42 N -2.15 2.79 -1.01 1.29 0.04 -1.26 -2.61 135.00 132.08 1iof s PRO 42 Ca 0.48 1.49 -0.02 0.00 0.04 0.00 0.00 61.00 62.99 1iof s PRO 42 Cb -0.16 -1.94 0.32 0.00 0.04 0.00 0.00 34.50 32.75 1iof s PRO 42 CO 0.21 -1.28 1.63 0.28 0.04 0.00 0.00 177.00 177.89 1iof n VAL 43 N -2.28 5.58 -3.72 -0.36 0.31 -1.26 -4.55 118.33 112.06 1iof n VAL 43 Ca 0.11 -5.93 -0.23 0.00 -0.01 0.00 0.00 64.34 58.28 1iof n VAL 43 Cb 0.51 -1.75 -0.17 0.00 -0.91 0.00 0.00 33.84 31.52 1iof n VAL 43 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1iof s VAL 44 N -3.74 0.21 0.44 2.52 1.01 -1.26 -0.02 120.40 119.56 1iof s VAL 44 Ca 0.37 0.09 -0.25 0.00 0.00 0.00 0.00 61.98 62.18 1iof s VAL 44 Cb 0.14 -0.50 -0.08 0.00 0.00 0.00 0.00 36.38 35.94 1iof s VAL 44 CO -0.04 0.11 1.35 -0.36 0.00 0.00 0.00 175.10 176.17 1iof s PHE 45 N 2.03 2.63 0.00 5.22 0.40 -1.26 -0.88 117.98 126.12 1iof s PHE 45 Ca 0.04 1.35 0.00 0.00 -0.60 0.00 0.00 56.93 57.72 1iof s PHE 45 Cb -0.13 -3.77 0.00 0.00 0.51 0.00 0.00 43.02 39.63 1iof s PHE 45 CO -0.05 -2.47 0.00 0.41 0.70 0.00 0.00 175.22 173.80 1iof n GLY 46 N 0.63 1.96 0.30 4.36 0.00 -1.26 -4.57 105.19 106.61 1iof n GLY 46 Ca 0.05 -0.59 -0.01 0.00 0.00 0.00 0.00 46.02 45.47 1iof n GLY 46 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1iof h LYS 47 N 0.00 0.88 0.00 1.61 1.63 -1.96 0.51 116.57 119.24 1iof h LYS 47 Ca 0.00 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.73 1iof h LYS 47 Cb 0.00 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.43 1iof h LYS 47 CO 0.00 0.58 -0.09 0.00 -3.45 0.00 0.00 179.45 176.49 1iof h ALA 48 N 1.37 1.63 -0.03 5.00 0.00 -1.25 -0.57 119.26 125.41 1iof h ALA 48 Ca 0.34 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 1iof h ALA 48 Cb 0.13 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1iof h ALA 48 CO -0.16 0.12 -0.49 -0.22 0.00 0.00 0.00 179.25 178.50 1iof h LYS 49 N 0.00 0.39 0.46 0.00 3.64 -1.20 -1.57 116.57 118.29 1iof h LYS 49 Ca -0.00 -0.38 -0.01 0.00 -1.27 0.00 0.00 60.65 58.99 1iof h LYS 49 Cb 0.19 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1iof h LYS 49 CO 0.01 1.04 -0.33 1.49 -2.27 0.00 0.00 179.45 179.39 1iof h GLU 50 N -0.13 -0.75 -0.76 1.90 4.81 -0.60 -0.51 114.58 118.55 1iof h GLU 50 Ca -0.05 0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1iof h GLU 50 Cb 1.19 0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.69 1iof h GLU 50 CO 0.10 -0.50 0.48 0.28 -0.73 0.00 0.00 179.01 178.63 1iof h VAL 51 N -0.78 1.08 -0.63 0.32 2.07 -1.21 -1.40 116.25 115.71 1iof h VAL 51 Ca -0.05 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 1iof h VAL 51 Cb 0.66 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1iof h VAL 51 CO 0.02 0.17 0.24 0.25 0.02 0.00 0.00 177.57 178.26 1iof h LEU 52 N 0.91 0.87 -0.14 2.57 6.46 -0.96 -0.91 115.31 124.11 1iof h LEU 52 Ca 0.31 -0.18 -0.13 0.00 -0.12 0.00 0.00 57.88 57.76 1iof h LEU 52 Cb 0.06 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 39.77 1iof h LEU 52 CO -0.13 0.82 -0.44 -0.33 -0.62 0.00 0.00 178.44 177.74 1iof h GLU 53 N 0.88 0.55 -0.34 1.25 5.08 -0.67 0.00 114.58 121.33 1iof h GLU 53 Ca 0.21 -0.40 0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1iof h GLU 53 Cb 0.22 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 1iof h GLU 53 CO -0.01 1.02 0.00 0.87 -1.00 0.00 0.00 179.01 179.89 1iof h LYS 54 N 0.18 0.10 -0.91 2.33 1.57 -1.22 -0.34 116.57 118.28 1iof h LYS 54 Ca -0.01 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1iof h LYS 54 Cb 1.06 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.30 1iof h LYS 54 CO 0.09 0.06 0.53 1.15 -0.57 0.00 0.00 179.45 180.71 1iof h THR 55 N 0.10 1.26 -0.45 -0.16 2.02 -1.01 0.66 112.91 115.33 1iof h THR 55 Ca 0.16 -0.60 -0.11 0.00 0.77 0.00 0.00 66.41 66.64 1iof h THR 55 Cb 0.22 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.61 1iof h THR 55 CO -0.27 0.28 -0.15 -0.07 0.37 0.00 0.00 175.52 175.68 1iof h LEU 56 N 1.27 0.84 -0.06 2.58 3.38 -0.35 -1.58 115.31 121.39 1iof h LEU 56 Ca 0.32 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1iof h LEU 56 Cb -0.01 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 1iof h LEU 56 CO -0.06 0.99 -0.03 -0.08 0.09 0.00 0.00 178.44 179.36 1iof h GLU 57 N 0.75 0.12 -0.47 1.13 4.57 -0.46 0.56 114.58 120.78 1iof h GLU 57 Ca 0.12 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.22 1iof h GLU 57 Cb 0.66 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.23 1iof h GLU 57 CO 0.05 0.50 0.18 1.49 -1.18 0.00 0.00 179.01 180.05 1iof h GLU 58 N -0.27 0.70 0.00 1.92 4.81 -0.84 -3.31 114.58 117.60 1iof h GLU 58 Ca 0.01 -0.13 -0.22 0.00 -0.13 0.00 0.00 59.36 58.89 1iof h GLU 58 Cb 0.47 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 1iof h GLU 58 CO 0.01 0.64 -1.72 -0.89 -0.73 0.00 0.00 179.01 176.32 1iof n ILE 59 N -4.58 1.23 -4.04 2.32 5.41 -0.60 -5.01 119.36 114.10 1iof n ILE 59 Ca 0.01 -0.73 -0.43 0.00 1.00 0.00 0.00 62.75 62.60 1iof n ILE 59 Cb 0.15 -0.69 0.02 0.00 -0.71 0.00 0.00 39.64 38.41 1iof n ILE 59 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1iof n LYS 60 N -2.85 -0.42 -1.97 0.38 5.02 0.19 -4.90 118.16 113.61 1iof n LYS 60 Ca -0.15 0.15 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 1iof n LYS 60 Cb 0.93 -2.31 0.03 0.00 -0.02 0.00 0.00 35.03 33.66 1iof n LYS 60 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1iof s PRO 61 N -7.04 2.96 0.08 1.97 0.02 -1.26 -4.84 135.00 126.90 1iof s PRO 61 Ca 0.41 1.64 0.02 0.00 0.02 0.00 0.00 61.00 63.09 1iof s PRO 61 Cb -0.23 -1.95 -0.24 0.00 0.02 0.00 0.00 34.50 32.10 1iof s PRO 61 CO 0.94 -1.17 1.16 -0.44 -0.33 0.00 0.00 177.00 177.16 1iof h ASP 62 N 0.65 0.19 -3.43 2.53 3.32 -1.65 -3.35 116.42 114.67 1iof h ASP 62 Ca -0.49 -0.22 -0.43 0.00 0.02 0.00 0.00 57.03 55.91 1iof h ASP 62 Cb 1.27 -0.06 -0.34 0.00 0.22 0.00 0.00 39.33 40.42 1iof h ASP 62 CO 0.55 1.17 -0.78 -0.63 -1.72 0.00 0.00 179.24 177.83 1iof s ILE 63 N -2.68 0.62 -0.04 0.35 1.01 -1.18 -0.49 121.20 118.81 1iof s ILE 63 Ca -0.02 -0.16 0.07 0.00 0.00 0.00 0.00 60.65 60.54 1iof s ILE 63 Cb 0.09 -0.64 -0.02 0.00 0.01 0.00 0.00 42.46 41.90 1iof s ILE 63 CO 0.85 0.25 -0.24 0.00 0.00 0.00 0.00 174.94 175.80 1iof s ALA 64 N 0.97 2.23 -0.12 9.38 0.00 -0.57 -1.14 121.76 132.51 1iof s ALA 64 Ca -0.10 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 50.77 1iof s ALA 64 Cb -0.14 -0.65 0.03 0.00 0.00 0.00 0.00 23.12 22.36 1iof s ALA 64 CO -0.00 0.49 -0.03 0.42 0.00 0.00 0.00 175.76 176.64 1iof s ILE 65 N -0.46 0.77 -0.05 0.00 1.01 -0.16 -3.23 121.20 119.08 1iof s ILE 65 Ca 0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.46 1iof s ILE 65 Cb -0.11 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.41 1iof s ILE 65 CO 0.01 0.23 0.03 -1.00 0.00 0.00 0.00 174.94 174.21 1iof s HIS 66 N 1.80 3.19 0.01 3.97 3.76 -0.13 -1.60 115.29 126.29 1iof s HIS 66 Ca 0.04 0.19 0.04 0.00 -0.15 0.00 0.00 55.06 55.17 1iof s HIS 66 Cb -0.13 -1.76 -0.01 0.00 1.11 0.00 0.00 32.58 31.79 1iof s HIS 66 CO -0.07 0.50 -0.12 0.08 -0.85 0.00 0.00 174.74 174.28 1iof s VAL 67 N -1.01 0.97 0.16 -0.90 1.01 -0.89 -0.56 120.40 119.18 1iof s VAL 67 Ca 0.17 -0.70 -0.10 0.00 0.00 0.00 0.00 61.98 61.35 1iof s VAL 67 Cb -0.12 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.41 1iof s VAL 67 CO 0.07 0.14 0.30 -0.83 0.00 0.00 0.00 175.10 174.78 1iof s GLY 68 N -0.64 0.40 -0.11 4.51 0.00 -0.07 -4.24 107.32 107.17 1iof s GLY 68 Ca 0.03 -0.80 -0.28 0.00 0.00 0.00 0.00 44.72 43.67 1iof s GLY 68 CO 0.00 -0.77 0.93 -2.27 0.00 0.00 0.00 173.10 170.99 1iof s LEU 69 N -2.95 4.25 -0.65 0.66 0.20 -1.26 -0.03 118.68 118.90 1iof s LEU 69 Ca 0.16 1.42 0.02 0.00 0.69 0.00 0.00 54.13 56.42 1iof s LEU 69 Cb 0.03 -3.43 0.16 0.00 -0.43 0.00 0.00 46.19 42.52 1iof s LEU 69 CO -0.01 -0.39 0.43 0.00 -0.29 0.00 0.00 176.35 176.10 1iof s ALA 70 N 1.84 3.64 -0.29 5.97 0.00 0.00 -4.83 121.76 128.11 1iof s ALA 70 Ca 0.45 -3.53 -0.41 0.00 0.00 0.00 0.00 51.96 48.47 1iof s ALA 70 Cb -0.18 -2.35 -0.17 0.00 0.00 0.00 0.00 23.12 20.42 1iof s ALA 70 CO 0.17 -2.08 1.65 -2.30 0.00 0.00 0.00 175.76 173.20 1iof n PRO 71 N 2.72 0.83 -0.25 0.00 -0.02 -1.26 -1.16 135.00 135.87 1iof n PRO 71 Ca 0.12 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1iof n PRO 71 Cb 0.35 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1iof n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iof n GLY 72 N 3.88 0.77 3.87 -1.23 0.00 -1.26 -5.01 105.19 106.20 1iof n GLY 72 Ca 0.27 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 1iof n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iof s ARG 73 N -0.66 3.84 0.00 1.61 0.52 -0.31 -4.67 118.95 119.28 1iof s ARG 73 Ca 0.00 0.44 0.17 0.00 -0.52 0.00 0.00 55.73 55.82 1iof s ARG 73 Cb 0.00 -2.48 0.08 0.00 0.52 0.00 0.00 34.95 33.06 1iof s ARG 73 CO 0.00 0.13 0.96 -1.13 0.02 0.00 0.00 175.30 175.28 1iof n SER 74 N -0.71 2.10 -3.37 0.23 3.41 -1.26 -4.43 113.62 109.58 1iof n SER 74 Ca 0.02 -1.55 -0.13 0.00 -0.26 0.00 0.00 58.87 56.95 1iof n SER 74 Cb 0.53 0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 64.64 1iof n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iof s ALA 75 N -1.62 0.51 0.19 7.33 0.00 -1.26 -4.88 121.76 122.03 1iof s ALA 75 Ca 0.17 -1.37 -0.30 0.00 0.00 0.00 0.00 51.96 50.47 1iof s ALA 75 Cb 0.14 1.11 -0.08 0.00 0.00 0.00 0.00 23.12 24.29 1iof s ALA 75 CO 0.29 -0.81 1.19 0.42 0.00 0.00 0.00 175.76 176.86 1iof s ILE 76 N -3.18 3.57 -0.08 0.00 -1.09 -0.66 -4.22 121.20 115.54 1iof s ILE 76 Ca 0.28 1.33 0.04 0.00 -2.23 0.00 0.00 60.65 60.07 1iof s ILE 76 Cb -0.01 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 1iof s ILE 76 CO 0.18 0.21 -0.21 -0.94 -1.23 0.00 0.00 174.94 172.95 1iof s SER 77 N 0.11 2.76 -0.30 3.58 1.04 -0.69 -0.06 113.70 120.13 1iof s SER 77 Ca 0.53 -0.48 -0.11 0.00 0.48 0.00 0.00 55.95 56.36 1iof s SER 77 Cb -0.33 -1.13 -0.04 0.00 0.10 0.00 0.00 66.02 64.63 1iof s SER 77 CO 0.37 0.15 0.20 -0.63 0.98 0.00 0.00 173.24 174.31 1iof s ILE 78 N 0.28 5.26 0.04 -1.02 1.01 0.58 -0.77 121.20 126.59 1iof s ILE 78 Ca -0.14 0.04 -0.30 0.00 0.00 0.00 0.00 60.65 60.25 1iof s ILE 78 Cb -0.16 -3.56 -0.05 0.00 0.01 0.00 0.00 42.46 38.69 1iof s ILE 78 CO 0.06 0.18 1.22 -1.61 0.00 0.00 0.00 174.94 174.79 1iof s GLU 79 N 1.74 4.41 -0.04 2.79 0.41 -0.82 -0.59 118.70 126.61 1iof s GLU 79 Ca 0.07 1.78 0.07 0.00 -0.41 0.00 0.00 54.97 56.48 1iof s GLU 79 Cb -0.16 -3.38 -0.24 0.00 -1.78 0.00 0.00 34.13 28.56 1iof s GLU 79 CO 0.11 -0.31 0.69 -0.09 -0.49 0.00 0.00 175.26 175.16 1iof h ARG 80 N 6.96 0.08 -3.75 1.61 2.43 -1.57 -3.42 114.38 116.72 1iof h ARG 80 Ca -0.40 -0.14 -0.25 0.00 -0.81 0.00 0.00 59.98 58.37 1iof h ARG 80 Cb 1.20 0.05 -0.29 0.00 -0.42 0.00 0.00 29.97 30.51 1iof h ARG 80 CO 0.83 0.75 -0.73 0.42 -1.51 0.00 0.00 179.97 179.73 1iof s ILE 81 N -2.60 0.03 -0.04 1.20 1.01 -1.26 -0.84 121.20 118.70 1iof s ILE 81 Ca -0.08 0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.61 1iof s ILE 81 Cb 0.08 -0.06 -0.03 0.00 0.01 0.00 0.00 42.46 42.45 1iof s ILE 81 CO 0.82 0.03 -0.07 0.00 0.00 0.00 0.00 174.94 175.72 1iof s ALA 82 N 0.21 2.99 0.18 9.38 0.00 -0.26 -4.41 121.76 129.85 1iof s ALA 82 Ca -0.02 -0.95 0.09 0.00 0.00 0.00 0.00 51.96 51.09 1iof s ALA 82 Cb -0.03 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 1iof s ALA 82 CO -0.01 0.59 -0.20 0.14 0.00 0.00 0.00 175.76 176.29 1iof s VAL 83 N -0.89 2.00 -1.50 0.00 -7.23 -1.26 -1.73 120.40 109.80 1iof s VAL 83 Ca 0.14 -1.99 -0.10 0.00 -1.81 0.00 0.00 61.98 58.23 1iof s VAL 83 Cb -0.11 -1.95 0.00 0.00 0.56 0.00 0.00 36.38 34.88 1iof s VAL 83 CO 0.04 -0.27 2.60 -3.20 -0.31 0.00 0.00 175.10 173.95 1iof n ASN 84 N 0.21 7.30 -3.63 4.85 2.85 0.19 -4.84 115.26 122.18 1iof n ASN 84 Ca -0.12 -2.79 -0.16 0.00 -0.11 0.00 0.00 54.58 51.39 1iof n ASN 84 Cb 0.57 -1.53 -0.07 0.00 1.24 0.00 0.00 39.78 39.99 1iof n ASN 84 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1iof s ALA 85 N 1.52 -1.33 -0.14 5.20 0.00 -1.26 -3.77 121.76 121.99 1iof s ALA 85 Ca 0.59 0.89 0.02 0.00 0.00 0.00 0.00 51.96 53.46 1iof s ALA 85 Cb 0.17 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.32 1iof s ALA 85 CO -0.07 -0.32 -0.21 0.42 0.00 0.00 0.00 175.76 175.59 1iof s ILE 86 N -1.23 1.95 -0.43 0.00 1.01 -0.01 -4.79 121.20 117.70 1iof s ILE 86 Ca -0.12 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 59.67 1iof s ILE 86 Cb -0.02 -1.74 0.19 0.00 0.01 0.00 0.00 42.46 40.90 1iof s ILE 86 CO 0.07 0.53 0.47 -0.67 0.00 0.00 0.00 174.94 175.34 1iof n ASP 87 N 4.12 -1.09 -4.68 3.58 4.64 0.06 -1.79 116.55 121.38 1iof n ASP 87 Ca -0.20 -2.57 -0.42 0.00 -1.38 0.00 0.00 54.79 50.22 1iof n ASP 87 Cb 0.51 -0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.56 1iof n ASP 87 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1iof s ALA 88 N 0.07 3.60 -0.07 -1.67 0.00 0.12 -4.66 121.76 119.14 1iof s ALA 88 Ca 0.33 0.86 -0.24 0.00 0.00 0.00 0.00 51.96 52.90 1iof s ALA 88 Cb 0.06 -3.62 -0.28 0.00 0.00 0.00 0.00 23.12 19.28 1iof s ALA 88 CO -0.16 -1.00 0.89 -0.09 0.00 0.00 0.00 175.76 175.40 1iof h ARG 89 N 8.08 0.21 -6.42 0.00 2.43 -1.90 -3.39 114.38 113.39 1iof h ARG 89 Ca -0.37 -0.33 -0.51 0.00 -0.81 0.00 0.00 59.98 57.97 1iof h ARG 89 Cb 1.17 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 1iof h ARG 89 CO 0.92 1.13 -0.21 0.42 -1.51 0.00 0.00 179.97 180.71 1iof s ILE 90 N -2.51 5.10 0.60 1.20 1.01 -1.26 -5.08 121.20 120.26 1iof s ILE 90 Ca -0.15 -0.25 -0.18 0.00 0.00 0.00 0.00 60.65 60.07 1iof s ILE 90 Cb -0.00 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 1iof s ILE 90 CO 0.78 -0.37 1.14 -2.16 0.00 0.00 0.00 174.94 174.34 1iof s PRO 91 N -3.76 3.04 1.05 2.79 0.04 -1.26 -4.71 135.00 132.19 1iof s PRO 91 Ca 0.41 1.59 -0.13 0.00 0.04 0.00 0.00 61.00 62.90 1iof s PRO 91 Cb -0.10 -1.96 0.21 0.00 0.04 0.00 0.00 34.50 32.69 1iof s PRO 91 CO 0.32 -1.09 1.09 0.16 0.04 0.00 0.00 177.00 177.51 1iof s ASP 92 N -2.01 2.20 0.08 6.66 3.84 0.09 -4.77 116.67 122.75 1iof s ASP 92 Ca 0.72 1.11 0.04 0.00 -0.00 0.00 0.00 52.55 54.42 1iof s ASP 92 Cb -0.24 -1.73 0.24 0.00 -1.38 0.00 0.00 42.92 39.81 1iof s ASP 92 CO 0.34 -3.39 1.08 0.59 -0.00 0.00 0.00 175.17 173.78 1iof n ASN 93 N -4.33 0.12 0.01 2.11 5.03 0.97 -0.63 115.26 118.53 1iof n ASN 93 Ca 0.06 0.49 0.11 0.00 0.87 0.00 0.00 54.58 56.12 1iof n ASN 93 Cb 0.58 -0.50 0.11 0.00 -1.02 0.00 0.00 39.78 38.94 1iof n ASN 93 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1iof n GLU 94 N -1.61 0.11 0.00 3.52 -0.58 -1.26 -4.98 120.64 115.84 1iof n GLU 94 Ca -0.00 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1iof n GLU 94 Cb 0.08 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.41 1iof n GLU 94 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iof n GLY 95 N 1.45 0.79 3.76 0.62 0.00 0.19 -5.08 105.19 106.92 1iof n GLY 95 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1iof n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iof s LYS 96 N -0.70 4.09 -0.17 1.61 -2.85 -1.26 -4.79 119.74 115.68 1iof s LYS 96 Ca 0.00 0.07 -0.01 0.00 -1.00 0.00 0.00 55.97 55.03 1iof s LYS 96 Cb 0.00 -3.37 -0.01 0.00 -2.06 0.00 0.00 37.83 32.40 1iof s LYS 96 CO 0.00 0.38 -0.11 0.21 0.10 0.00 0.00 175.35 175.93 1iof s LYS 97 N 0.05 3.33 -0.25 1.78 2.20 -1.26 -0.73 119.74 124.84 1iof s LYS 97 Ca 0.16 -0.69 -0.04 0.00 -0.36 0.00 0.00 55.97 55.05 1iof s LYS 97 Cb -0.13 -2.74 0.01 0.00 -1.51 0.00 0.00 37.83 33.45 1iof s LYS 97 CO 0.04 0.02 -0.01 0.42 -0.36 0.00 0.00 175.35 175.47 1iof s ILE 98 N 0.85 3.39 -0.27 5.43 1.01 -1.26 -4.96 121.20 125.39 1iof s ILE 98 Ca -0.03 -0.74 -0.10 0.00 0.00 0.00 0.00 60.65 59.78 1iof s ILE 98 Cb -0.15 -2.67 -0.05 0.00 0.01 0.00 0.00 42.46 39.60 1iof s ILE 98 CO 0.00 0.24 0.16 -1.61 0.00 0.00 0.00 174.94 173.73 1iof s GLU 99 N 1.43 3.91 -0.79 2.79 0.41 -1.26 0.11 118.70 125.31 1iof s GLU 99 Ca 0.03 -0.34 -0.02 0.00 -0.41 0.00 0.00 54.97 54.23 1iof s GLU 99 Cb -0.16 -3.57 0.00 0.00 -1.78 0.00 0.00 34.13 28.62 1iof s GLU 99 CO -0.02 -0.14 0.63 -0.25 -0.49 0.00 0.00 175.26 174.99 1iof n ASP 100 N 4.89 -5.59 -4.37 -0.19 8.00 -0.74 -4.96 116.55 113.59 1iof n ASP 100 Ca -0.15 -0.71 -0.29 0.00 0.71 0.00 0.00 54.79 54.36 1iof n ASP 100 Cb 0.52 -2.56 -0.13 0.00 -0.02 0.00 0.00 41.12 38.93 1iof n ASP 100 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1iof s GLU 101 N -4.37 1.48 0.71 -1.24 2.56 -1.11 -4.96 118.70 111.78 1iof s GLU 101 Ca 0.02 -1.27 -0.11 0.00 0.00 0.00 0.00 54.97 53.60 1iof s GLU 101 Cb -0.00 -1.88 0.01 0.00 2.00 0.00 0.00 34.13 34.26 1iof s GLU 101 CO 0.86 0.46 1.07 -1.25 -0.56 0.00 0.00 175.26 175.84 1iof s PRO 102 N -1.84 2.84 -0.14 4.30 0.04 -1.26 -0.83 135.00 138.11 1iof s PRO 102 Ca 0.13 0.70 -0.18 0.00 0.04 0.00 0.00 61.00 61.69 1iof s PRO 102 Cb -0.10 -2.00 -0.15 0.00 0.04 0.00 0.00 34.50 32.29 1iof s PRO 102 CO 0.05 -1.10 0.36 0.82 0.04 0.00 0.00 177.00 177.17 1iof h ILE 103 N -0.71 0.96 -3.50 0.56 2.04 -1.87 -3.44 117.51 111.56 1iof h ILE 103 Ca -0.45 -1.81 -0.60 0.00 1.00 0.00 0.00 64.86 63.00 1iof h ILE 103 Cb 1.23 1.91 -0.39 0.00 -0.74 0.00 0.00 36.82 38.83 1iof h ILE 103 CO 0.60 0.33 -0.77 -0.69 0.00 0.00 0.00 178.15 177.62 1iof s VAL 104 N -2.07 1.35 -0.05 1.67 1.01 -1.26 -5.09 120.40 115.96 1iof s VAL 104 Ca -0.15 -1.30 -0.35 0.00 0.00 0.00 0.00 61.98 60.17 1iof s VAL 104 Cb -0.00 -1.77 -0.13 0.00 0.00 0.00 0.00 36.38 34.48 1iof s VAL 104 CO 0.44 -0.29 1.76 -2.65 0.00 0.00 0.00 175.10 174.36 1iof n PRO 105 N 4.71 1.96 -0.74 2.72 -0.02 -1.26 -0.63 135.00 141.73 1iof n PRO 105 Ca -0.08 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1iof n PRO 105 Cb 0.44 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1iof n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iof n GLY 106 N 4.05 1.46 3.90 -1.23 0.00 -1.26 -5.00 105.19 107.11 1iof n GLY 106 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 1iof n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iof s ALA 107 N -3.66 3.11 0.84 4.61 0.00 0.20 -5.00 121.76 121.85 1iof s ALA 107 Ca 0.00 -0.51 -0.15 0.00 0.00 0.00 0.00 51.96 51.30 1iof s ALA 107 Cb 0.00 -2.81 -0.01 0.00 0.00 0.00 0.00 23.12 20.30 1iof s ALA 107 CO 0.00 -0.94 0.40 -2.30 0.00 0.00 0.00 175.76 172.92 1iof n PRO 108 N -2.77 0.01 -0.09 0.00 -0.02 -1.26 -4.91 135.00 125.95 1iof n PRO 108 Ca 0.06 0.05 -0.11 0.00 -2.02 0.00 0.00 63.50 61.47 1iof n PRO 108 Cb 0.57 -1.79 0.03 0.00 -0.02 0.00 0.00 33.50 32.28 1iof n PRO 108 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1iof h THR 109 N -0.96 1.28 -3.32 3.45 2.02 -1.95 -3.40 112.91 110.04 1iof h THR 109 Ca -0.44 -1.52 -0.09 0.00 0.77 0.00 0.00 66.41 65.13 1iof h THR 109 Cb 1.32 1.37 -0.16 0.00 -1.74 0.00 0.00 68.15 68.93 1iof h THR 109 CO 0.38 0.50 -0.24 0.00 0.37 0.00 0.00 175.52 176.53 1iof s ALA 110 N -4.42 -0.69 -0.07 6.16 0.00 -1.26 0.53 121.76 122.02 1iof s ALA 110 Ca -0.10 -0.01 0.05 0.00 0.00 0.00 0.00 51.96 51.90 1iof s ALA 110 Cb 0.12 0.35 -0.00 0.00 0.00 0.00 0.00 23.12 23.59 1iof s ALA 110 CO 0.86 -0.43 -0.22 0.71 0.00 0.00 0.00 175.76 176.68 1iof s TYR 111 N -2.68 2.19 0.39 0.00 1.51 -0.70 -4.98 117.35 113.08 1iof s TYR 111 Ca -0.04 -0.74 -0.24 0.00 -1.01 0.00 0.00 57.07 55.04 1iof s TYR 111 Cb -0.00 -1.47 -0.09 0.00 -0.11 0.00 0.00 41.96 40.29 1iof s TYR 111 CO -0.04 -0.27 1.05 -0.06 -1.11 0.00 0.00 175.55 175.12 1iof s PHE 112 N 0.11 3.28 0.48 2.71 2.99 -1.26 -1.11 117.98 125.18 1iof s PHE 112 Ca -0.09 1.64 -0.23 0.00 0.00 0.00 0.00 56.93 58.25 1iof s PHE 112 Cb -0.15 -3.13 -0.07 0.00 0.00 0.00 0.00 43.02 39.67 1iof s PHE 112 CO 0.05 -0.62 1.32 0.45 -0.00 0.00 0.00 175.22 176.41 1iof s SER 113 N -1.54 5.79 0.00 1.36 0.15 -0.02 -4.91 113.70 114.53 1iof s SER 113 Ca 0.57 2.67 0.24 0.00 0.70 0.00 0.00 55.95 60.13 1iof s SER 113 Cb -0.22 -2.63 0.28 0.00 -1.71 0.00 0.00 66.02 61.74 1iof s SER 113 CO 0.28 -1.21 1.31 0.35 1.20 0.00 0.00 173.24 175.18 1iof n THR 114 N -0.52 0.01 -1.90 6.45 -2.24 -0.31 -4.94 114.28 110.83 1iof n THR 114 Ca 0.07 -0.48 -0.34 0.00 -2.27 0.00 0.00 64.05 61.03 1iof n THR 114 Cb 0.45 1.38 0.04 0.00 -2.10 0.00 0.00 70.33 70.10 1iof n THR 114 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1iof s LEU 115 N -1.99 3.51 -1.23 3.22 1.43 -1.00 -4.62 118.68 118.00 1iof s LEU 115 Ca 0.29 2.11 -0.18 0.00 -1.03 0.00 0.00 54.13 55.32 1iof s LEU 115 Cb 0.20 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.85 1iof s LEU 115 CO 0.30 -1.56 1.94 -0.81 0.23 0.00 0.00 176.35 176.46 1iof n PRO 116 N -2.05 2.51 -0.24 1.29 -0.04 -1.26 -4.82 135.00 130.39 1iof n PRO 116 Ca 0.11 -2.69 0.06 0.00 -0.04 0.00 0.00 63.50 60.94 1iof n PRO 116 Cb 0.51 -3.39 0.31 0.00 -0.04 0.00 0.00 33.50 30.90 1iof n PRO 116 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 1iof h ILE 117 N 5.06 1.02 0.00 0.52 3.07 -1.92 -0.68 117.51 124.58 1iof h ILE 117 Ca 0.43 -0.29 -0.16 0.00 1.55 0.00 0.00 64.86 66.39 1iof h ILE 117 Cb 0.79 0.09 -0.02 0.00 -0.27 0.00 0.00 36.82 37.40 1iof h ILE 117 CO 1.62 0.16 -0.75 0.11 -1.05 0.00 0.00 178.15 178.23 1iof h LYS 118 N 0.85 0.00 0.09 0.16 1.79 -1.99 -1.78 116.57 115.70 1iof h LYS 118 Ca 0.36 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.53 1iof h LYS 118 Cb 0.29 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.97 1iof h LYS 118 CO -0.13 0.75 -1.20 0.87 -1.08 0.00 0.00 179.45 178.66 1iof h LYS 119 N 0.00 0.64 -0.35 3.15 1.57 -1.69 -1.60 116.57 118.29 1iof h LYS 119 Ca -0.01 -0.81 0.06 0.00 -1.87 0.00 0.00 60.65 58.02 1iof h LYS 119 Cb 1.35 0.26 -0.05 0.00 0.08 0.00 0.00 32.23 33.87 1iof h LYS 119 CO 0.10 1.37 0.02 0.82 -0.57 0.00 0.00 179.45 181.18 1iof h ILE 120 N 0.30 0.76 -0.13 1.86 2.04 -1.16 -1.75 117.51 119.43 1iof h ILE 120 Ca -0.17 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 1iof h ILE 120 Cb 1.87 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 1iof h ILE 120 CO 0.23 0.02 0.07 -0.03 0.00 0.00 0.00 178.15 178.44 1iof h MET 121 N 0.12 0.19 -0.52 2.37 4.05 -1.31 -1.36 114.93 118.46 1iof h MET 121 Ca 0.17 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.59 1iof h MET 121 Cb 0.23 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.96 1iof h MET 121 CO -0.27 0.21 0.35 -0.22 0.23 0.00 0.00 176.91 177.21 1iof h LYS 122 N 0.11 0.60 0.04 0.39 3.11 -1.01 -2.02 116.57 117.80 1iof h LYS 122 Ca 0.05 -0.04 -0.22 0.00 -2.81 0.00 0.00 60.65 57.63 1iof h LYS 122 Cb 0.08 -0.14 0.02 0.00 -1.00 0.00 0.00 32.23 31.19 1iof h LYS 122 CO -0.01 0.40 -0.89 -0.22 -2.81 0.00 0.00 179.45 175.92 1iof h LYS 123 N 0.62 0.53 -0.58 1.90 1.63 -0.89 -1.71 116.57 118.06 1iof h LYS 123 Ca 0.21 -0.63 0.09 0.00 -0.85 0.00 0.00 60.65 59.47 1iof h LYS 123 Cb 0.06 0.19 -0.07 0.00 -0.60 0.00 0.00 32.23 31.81 1iof h LYS 123 CO -0.05 1.25 0.18 -0.07 -3.45 0.00 0.00 179.45 177.31 1iof h LEU 124 N 0.09 0.14 -0.87 5.20 3.38 -1.13 -1.16 115.31 120.95 1iof h LEU 124 Ca -0.12 0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1iof h LEU 124 Cb 1.59 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 42.38 1iof h LEU 124 CO 0.17 0.09 0.56 0.45 0.09 0.00 0.00 178.44 179.81 1iof h HIS 125 N 0.34 1.06 -0.41 1.13 3.86 -1.22 -0.20 115.15 119.71 1iof h HIS 125 Ca 0.29 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.52 1iof h HIS 125 Cb 0.38 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 1iof h HIS 125 CO -0.19 0.62 0.22 0.93 0.86 0.00 0.00 177.93 180.37 1iof h GLU 126 N 1.10 0.56 -0.21 2.45 5.08 -0.30 -0.64 114.58 122.62 1iof h GLU 126 Ca 0.34 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1iof h GLU 126 Cb -0.01 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1iof h GLU 126 CO -0.11 0.41 0.00 0.54 -1.00 0.00 0.00 179.01 178.85 1iof n ARG 127 N -4.43 1.43 -2.31 2.33 5.12 -0.63 -4.91 116.66 113.26 1iof n ARG 127 Ca 0.03 -0.64 -0.17 0.00 -1.93 0.00 0.00 57.85 55.14 1iof n ARG 127 Cb 0.10 -1.16 -0.01 0.00 -1.16 0.00 0.00 32.46 30.22 1iof n ARG 127 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1iof n GLY 128 N 0.75 -0.29 3.54 -0.13 0.00 -0.25 -4.99 105.19 103.82 1iof n GLY 128 Ca 0.06 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 1iof n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iof s ILE 129 N -2.87 5.12 0.20 -0.61 1.01 -0.18 -4.99 121.20 118.88 1iof s ILE 129 Ca 0.00 -0.07 -0.32 0.00 0.00 0.00 0.00 60.65 60.26 1iof s ILE 129 Cb 0.00 -3.52 -0.11 0.00 0.01 0.00 0.00 42.46 38.83 1iof s ILE 129 CO 0.00 0.15 1.69 -2.16 0.00 0.00 0.00 174.94 174.61 1iof s PRO 130 N 1.72 4.14 -0.10 2.79 0.04 -1.26 -3.51 135.00 138.82 1iof s PRO 130 Ca 0.06 2.55 -0.20 0.00 0.04 0.00 0.00 61.00 63.46 1iof s PRO 130 Cb -0.17 -3.09 0.04 0.00 0.04 0.00 0.00 34.50 31.33 1iof s PRO 130 CO 0.10 -0.72 0.47 0.00 0.04 0.00 0.00 177.00 176.89 1iof s ALA 131 N 1.15 -1.20 0.23 8.56 0.00 -1.26 -1.65 121.76 127.60 1iof s ALA 131 Ca 0.74 1.01 -0.07 0.00 0.00 0.00 0.00 51.96 53.64 1iof s ALA 131 Cb -0.48 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 1iof s ALA 131 CO 0.32 -0.27 0.32 1.52 0.00 0.00 0.00 175.76 177.65 1iof s TYR 132 N -0.61 0.78 -0.22 0.00 -0.85 0.91 -4.91 117.35 112.45 1iof s TYR 132 Ca -0.07 -1.06 -0.16 0.00 -0.52 0.00 0.00 57.07 55.26 1iof s TYR 132 Cb -0.03 -0.17 -0.04 0.00 0.38 0.00 0.00 41.96 42.10 1iof s TYR 132 CO 0.04 -0.84 0.39 0.42 -1.52 0.00 0.00 175.55 174.04 1iof s ILE 133 N -4.02 5.19 0.05 -3.49 1.01 -1.26 -0.31 121.20 118.37 1iof s ILE 133 Ca 0.31 0.68 -0.03 0.00 0.00 0.00 0.00 60.65 61.61 1iof s ILE 133 Cb 0.03 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 1iof s ILE 133 CO 0.11 0.23 0.25 -0.55 0.00 0.00 0.00 174.94 174.98 1iof s SER 134 N 1.17 6.42 0.00 3.58 0.15 0.24 -4.87 113.70 120.39 1iof s SER 134 Ca 0.18 0.41 0.15 0.00 0.70 0.00 0.00 55.95 57.40 1iof s SER 134 Cb -0.15 -2.02 0.40 0.00 -1.71 0.00 0.00 66.02 62.54 1iof s SER 134 CO 0.08 0.18 1.32 0.59 1.20 0.00 0.00 173.24 176.62 1iof n ASN 135 N 0.57 3.21 -3.74 5.45 5.03 -1.26 -1.40 115.26 123.11 1iof n ASN 135 Ca -0.07 -1.96 -0.12 0.00 0.87 0.00 0.00 54.58 53.30 1iof n ASN 135 Cb 0.52 -0.29 -0.12 0.00 -1.02 0.00 0.00 39.78 38.87 1iof n ASN 135 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1iof s SER 136 N -1.04 -0.34 -0.01 6.41 0.15 -1.26 -4.68 113.70 112.93 1iof s SER 136 Ca 0.31 0.64 0.18 0.00 0.70 0.00 0.00 55.95 57.79 1iof s SER 136 Cb 0.17 0.58 0.55 0.00 -1.71 0.00 0.00 66.02 65.60 1iof s SER 136 CO 0.22 -0.14 1.46 0.00 1.20 0.00 0.00 173.24 175.98 1iof n ALA 137 N 3.60 2.38 0.00 5.45 0.00 -1.26 -5.02 120.51 125.66 1iof n ALA 137 Ca -0.19 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 51.96 1iof n ALA 137 Cb 0.56 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.23 1iof n ALA 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iof n GLY 138 N 1.22 -2.22 2.22 0.00 0.00 -1.26 -3.93 105.19 101.21 1iof n GLY 138 Ca 0.21 -1.99 -0.00 0.00 0.00 0.00 0.00 46.02 44.24 1iof n GLY 138 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iof n LEU 139 N 0.00 0.51 0.00 0.99 4.77 -1.26 -4.64 117.00 117.37 1iof n LEU 139 Ca 0.00 -2.66 0.00 0.00 -0.03 0.00 0.00 56.01 53.32 1iof n LEU 139 Cb 0.00 0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1iof n LEU 139 CO 0.00 1.08 0.00 0.00 -1.33 0.00 0.00 177.39 177.14 1iof n TYR 140 N -0.41 0.00 0.15 -1.77 9.36 -1.26 -0.76 117.16 122.47 1iof n TYR 140 Ca -0.02 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.33 1iof n TYR 140 Cb 0.90 0.00 0.68 0.00 -0.63 0.00 0.00 39.34 40.29 1iof n TYR 140 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1iof h LEU 141 N 0.00 0.00 -0.09 2.98 3.38 -1.97 -1.87 115.31 117.74 1iof h LEU 141 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1iof h LEU 141 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1iof h LEU 141 CO 0.00 0.00 0.01 0.00 0.09 0.00 0.00 178.44 178.54 1iof h ASN 143 N -0.11 0.69 -0.39 0.00 -1.24 -1.63 -2.20 115.58 110.70 1iof h ASN 143 Ca 0.03 -0.36 0.07 0.00 0.71 0.00 0.00 56.30 56.75 1iof h ASN 143 Cb 0.31 -0.19 -0.09 0.00 0.73 0.00 0.00 38.32 39.08 1iof h ASN 143 CO 0.00 0.89 -0.42 0.22 -1.29 0.00 0.00 177.43 176.83 1iof h TYR 144 N 0.49 -1.23 0.00 0.67 3.20 -1.12 0.74 116.97 119.72 1iof h TYR 144 Ca 0.09 0.07 -0.09 0.00 3.14 0.00 0.00 58.73 61.94 1iof h TYR 144 Cb 0.58 0.59 -0.01 0.00 1.54 0.00 0.00 36.73 39.43 1iof h TYR 144 CO 0.05 -0.44 -0.43 -0.39 -1.64 0.00 0.00 178.16 175.31 1iof h VAL 145 N -0.34 0.92 -0.10 1.81 -1.51 -1.31 -0.66 116.25 115.07 1iof h VAL 145 Ca 0.13 -1.74 -0.07 0.00 -1.23 0.00 0.00 66.70 63.79 1iof h VAL 145 Cb 0.58 2.07 -0.01 0.00 -2.13 0.00 0.00 31.29 31.80 1iof h VAL 145 CO -0.56 0.42 -0.28 -0.03 -1.23 0.00 0.00 177.57 175.89 1iof h MET 146 N 0.00 0.17 0.01 5.19 1.85 -0.73 -1.41 114.93 120.01 1iof h MET 146 Ca -0.00 -0.06 -0.00 0.00 -0.61 0.00 0.00 59.70 59.03 1iof h MET 146 Cb 1.03 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.05 1iof h MET 146 CO 0.06 0.45 -0.00 -0.92 -0.40 0.00 0.00 176.91 176.09 1iof h TYR 147 N 0.16 -0.01 -0.96 1.39 3.20 -0.08 -2.89 116.97 117.78 1iof h TYR 147 Ca 0.02 -0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.08 1iof h TYR 147 Cb 0.58 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 38.77 1iof h TYR 147 CO 0.01 0.77 0.61 -0.07 -1.64 0.00 0.00 178.16 177.83 1iof h LEU 148 N -0.97 0.63 -0.10 2.82 3.38 -1.09 0.14 115.31 120.12 1iof h LEU 148 Ca -0.00 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1iof h LEU 148 Cb 0.78 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1iof h LEU 148 CO 0.00 0.25 -0.18 -1.28 0.09 0.00 0.00 178.44 177.33 1iof h SER 149 N 0.63 0.33 1.12 -0.43 0.87 -1.31 -1.09 113.55 113.67 1iof h SER 149 Ca 0.52 -0.54 -0.04 0.00 -1.23 0.00 0.00 61.79 60.49 1iof h SER 149 Cb 0.97 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.82 1iof h SER 149 CO -0.27 0.81 -0.20 -0.07 -0.53 0.00 0.00 176.83 176.57 1iof h LEU 150 N -0.13 0.00 0.13 2.23 3.38 -1.18 -1.15 115.31 118.58 1iof h LEU 150 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1iof h LEU 150 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1iof h LEU 150 CO 0.04 0.20 -0.06 -0.74 0.09 0.00 0.00 178.44 177.97 1iof h HIS 151 N 0.00 -0.16 -0.98 1.13 2.76 -0.62 -1.72 115.15 115.57 1iof h HIS 151 Ca -0.00 -0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.31 1iof h HIS 151 Cb 0.81 0.05 -0.09 0.00 1.55 0.00 0.00 27.41 29.74 1iof h HIS 151 CO 0.00 0.21 0.62 1.25 -1.30 0.00 0.00 177.93 178.70 1iof h HIS 152 N -0.55 1.04 -0.43 5.26 6.17 -0.97 0.19 115.15 125.87 1iof h HIS 152 Ca -0.02 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.07 1iof h HIS 152 Cb 0.43 -0.33 -0.02 0.00 2.52 0.00 0.00 27.41 30.02 1iof h HIS 152 CO 0.05 0.36 0.17 1.03 0.71 0.00 0.00 177.93 180.25 1iof h SER 153 N 0.86 0.59 0.06 3.26 0.87 -1.04 -0.24 113.55 117.91 1iof h SER 153 Ca 0.50 -0.16 -0.13 0.00 -1.23 0.00 0.00 61.79 60.77 1iof h SER 153 Cb 0.65 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1iof h SER 153 CO -0.28 0.59 -0.44 0.00 -0.53 0.00 0.00 176.83 176.18 1iof h ALA 154 N 1.02 0.89 0.00 6.23 0.00 -0.19 -1.34 119.26 125.87 1iof h ALA 154 Ca 0.14 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1iof h ALA 154 Cb 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1iof h ALA 154 CO -0.01 0.64 -0.01 1.15 0.00 0.00 0.00 179.25 181.03 1iof h THR 155 N 0.38 0.00 -0.01 0.00 2.02 -0.98 -3.40 112.91 110.92 1iof h THR 155 Ca 0.03 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.27 1iof h THR 155 Cb 0.92 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1iof h THR 155 CO 0.08 0.00 -0.24 0.29 0.37 0.00 0.00 175.52 176.02 1iof n LYS 156 N -4.60 1.05 0.00 6.66 4.76 -0.11 -4.97 118.16 120.95 1iof n LYS 156 Ca -0.00 -0.67 0.00 0.00 -2.87 0.00 0.00 58.31 54.77 1iof n LYS 156 Cb 0.00 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.71 1iof n LYS 156 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1iof n GLY 157 N 1.33 3.08 3.16 0.72 0.00 -0.50 -4.99 105.19 107.98 1iof n GLY 157 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 1iof n GLY 157 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1iof s TYR 158 N -1.78 1.02 0.75 1.61 -0.85 -1.26 -4.35 117.35 112.49 1iof s TYR 158 Ca 0.00 -0.63 -0.14 0.00 -0.52 0.00 0.00 57.07 55.78 1iof s TYR 158 Cb 0.00 -0.56 0.05 0.00 0.38 0.00 0.00 41.96 41.82 1iof s TYR 158 CO 0.00 -0.01 1.17 -1.25 -1.52 0.00 0.00 175.55 173.94 1iof s PRO 159 N -2.61 2.10 0.22 -3.49 0.04 -1.26 -3.65 135.00 126.36 1iof s PRO 159 Ca 0.03 1.61 0.12 0.00 0.04 0.00 0.00 61.00 62.80 1iof s PRO 159 Cb -0.04 -1.84 0.04 0.00 0.04 0.00 0.00 34.50 32.70 1iof s PRO 159 CO 0.00 -1.83 1.42 0.87 0.04 0.00 0.00 177.00 177.50 1iof h LYS 160 N -0.54 0.00 -5.35 4.56 1.57 -0.95 -3.42 116.57 112.44 1iof h LYS 160 Ca -0.46 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.76 1iof h LYS 160 Cb 1.28 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.28 1iof h LYS 160 CO 0.49 0.71 -0.83 -1.64 -0.57 0.00 0.00 179.45 177.61 1iof s MET 161 N -2.98 1.66 0.03 3.15 -1.94 -0.90 -4.98 119.30 113.34 1iof s MET 161 Ca 0.02 -0.60 -0.09 0.00 -1.71 0.00 0.00 55.69 53.31 1iof s MET 161 Cb 0.09 -1.48 0.00 0.00 2.01 0.00 0.00 34.83 35.46 1iof s MET 161 CO 0.77 0.27 0.18 0.45 -0.01 0.00 0.00 175.02 176.68 1iof s SER 162 N -0.06 0.03 0.00 3.03 0.15 -1.26 -1.51 113.70 114.08 1iof s SER 162 Ca -0.01 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.33 1iof s SER 162 Cb -0.10 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1iof s SER 162 CO 0.01 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.57 1iof n GLY 163 N 0.93 0.52 3.04 9.45 0.00 -1.20 -1.16 105.19 116.77 1iof n GLY 163 Ca -0.20 -0.84 -0.17 0.00 0.00 0.00 0.00 46.02 44.80 1iof n GLY 163 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1iof s PHE 164 N -2.00 0.80 -0.08 1.61 2.19 -1.26 -0.96 117.98 118.28 1iof s PHE 164 Ca 0.00 -0.24 0.01 0.00 0.33 0.00 0.00 56.93 57.03 1iof s PHE 164 Cb 0.00 -0.50 0.02 0.00 -1.31 0.00 0.00 43.02 41.23 1iof s PHE 164 CO 0.00 -0.01 -0.10 0.42 1.83 0.00 0.00 175.22 177.35 1iof s ILE 165 N -0.52 1.04 -0.05 3.12 1.01 0.27 -1.93 121.20 124.14 1iof s ILE 165 Ca 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 1iof s ILE 165 Cb -0.05 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 1iof s ILE 165 CO 0.00 0.35 0.06 -1.00 0.00 0.00 0.00 174.94 174.35 1iof s HIS 166 N 1.01 3.29 0.10 3.97 3.76 0.05 -0.89 115.29 126.58 1iof s HIS 166 Ca -0.08 0.25 0.10 0.00 -0.15 0.00 0.00 55.06 55.18 1iof s HIS 166 Cb -0.15 -1.79 -0.04 0.00 1.11 0.00 0.00 32.58 31.72 1iof s HIS 166 CO -0.00 0.55 -0.26 0.14 -0.85 0.00 0.00 174.74 174.32 1iof s VAL 167 N -1.06 2.30 1.31 -0.90 -7.23 0.96 -1.71 120.40 114.07 1iof s VAL 167 Ca 0.18 -1.61 -0.18 0.00 -1.81 0.00 0.00 61.98 58.56 1iof s VAL 167 Cb -0.12 -1.98 0.33 0.00 0.56 0.00 0.00 36.38 35.17 1iof s VAL 167 CO 0.08 0.18 0.98 -2.84 -0.31 0.00 0.00 175.10 173.19 1iof s PRO 168 N -1.81 -2.06 0.77 4.82 0.02 -1.26 -0.82 135.00 134.66 1iof s PRO 168 Ca 0.14 0.41 -0.13 0.00 0.02 0.00 0.00 61.00 61.44 1iof s PRO 168 Cb -0.10 -1.45 0.06 0.00 0.02 0.00 0.00 34.50 33.03 1iof s PRO 168 CO 0.05 -4.37 1.15 0.71 -0.33 0.00 0.00 177.00 174.21 1iof s TYR 169 N -2.38 2.17 0.24 6.54 2.02 -1.26 -4.70 117.35 119.97 1iof s TYR 169 Ca 0.69 1.63 -0.02 0.00 -0.37 0.00 0.00 57.07 58.99 1iof s TYR 169 Cb -0.18 -3.29 -0.05 0.00 -0.40 0.00 0.00 41.96 38.04 1iof s TYR 169 CO 0.61 -2.30 0.46 0.96 -1.57 0.00 0.00 175.55 173.70 1iof s ILE 170 N -2.41 5.13 0.26 2.71 -4.36 -1.26 -0.74 121.20 120.54 1iof s ILE 170 Ca 0.68 -0.21 -0.02 0.00 -0.26 0.00 0.00 60.65 60.84 1iof s ILE 170 Cb -0.23 -3.74 0.25 0.00 1.25 0.00 0.00 42.46 39.99 1iof s ILE 170 CO 0.50 -0.24 1.70 -0.65 0.24 0.00 0.00 174.94 176.49 1iof h PRO 171 N 1.84 0.35 0.00 0.37 0.11 -1.93 0.53 132.00 133.28 1iof h PRO 171 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1iof h PRO 171 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1iof h PRO 171 CO 0.67 0.23 0.03 1.05 -0.21 0.00 0.00 178.00 179.77 1iof h GLU 172 N 0.36 0.00 0.00 1.05 4.11 -1.95 -0.45 114.58 117.71 1iof h GLU 172 Ca 0.46 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.73 1iof h GLU 172 Cb 0.79 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 1iof h GLU 172 CO -0.49 0.00 -1.06 1.96 0.07 0.00 0.00 179.01 179.49 1iof h GLN 173 N 0.00 0.00 0.00 1.06 4.20 -1.27 -3.35 115.11 115.75 1iof h GLN 173 Ca 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1iof h GLN 173 Cb 0.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1iof h GLN 173 CO 0.00 0.46 -0.25 0.82 -0.67 0.00 0.00 178.83 179.19 1iof h ILE 174 N 0.00 0.75 0.00 2.54 1.08 -1.14 -3.33 117.51 117.41 1iof h ILE 174 Ca -0.10 -1.06 0.00 0.00 -0.39 0.00 0.00 64.86 63.32 1iof h ILE 174 Cb 1.57 1.66 0.00 0.00 -3.07 0.00 0.00 36.82 36.97 1iof h ILE 174 CO 0.07 0.25 0.00 0.16 -0.69 0.00 0.00 178.15 177.93 1iof h ILE 175 N 0.00 0.00 -0.01 -0.67 -0.00 -1.69 -1.08 117.51 114.07 1iof h ILE 175 Ca -0.00 -0.73 0.00 0.00 -0.00 0.00 0.00 64.86 64.13 1iof h ILE 175 Cb 0.64 1.71 0.00 0.00 -0.00 0.00 0.00 36.82 39.16 1iof h ILE 175 CO 0.03 0.00 -0.35 -0.90 -0.00 0.00 0.00 178.15 176.93 1iof n ASP 176 N -2.94 0.94 0.08 2.16 5.68 -1.25 -3.37 116.55 117.84 1iof n ASP 176 Ca 0.03 -0.76 -0.08 0.00 -0.50 0.00 0.00 54.79 53.48 1iof n ASP 176 Cb 0.42 0.21 -0.09 0.00 -1.14 0.00 0.00 41.12 40.52 1iof n ASP 176 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1iof h LYS 177 N 0.92 0.07 -0.84 0.11 1.79 -1.38 -3.15 116.57 114.09 1iof h LYS 177 Ca 0.00 -0.10 0.11 0.00 -2.18 0.00 0.00 60.65 58.48 1iof h LYS 177 Cb 0.52 0.04 -0.08 0.00 -1.58 0.00 0.00 32.23 31.12 1iof h LYS 177 CO 0.00 1.00 0.47 0.82 -1.08 0.00 0.00 179.45 180.66 1iof h ILE 178 N 0.02 0.85 -0.65 1.86 2.04 -0.90 -0.24 117.51 120.49 1iof h ILE 178 Ca -0.03 -0.25 0.13 0.00 1.00 0.00 0.00 64.86 65.70 1iof h ILE 178 Cb 1.72 0.04 -0.10 0.00 -0.74 0.00 0.00 36.82 37.75 1iof h ILE 178 CO 0.14 0.14 0.13 1.23 0.00 0.00 0.00 178.15 179.78 1iof h GLY 179 N 0.74 0.84 -2.45 5.37 0.00 -1.68 -0.94 103.07 104.96 1iof h GLY 179 Ca 0.42 -0.02 -0.10 0.00 0.00 0.00 0.00 47.33 47.64 1iof h GLY 179 CO -0.29 -0.16 0.12 0.28 0.00 0.00 0.00 176.54 176.50 1iof n LYS 180 N -5.16 1.23 -2.58 4.80 4.76 -0.23 -4.74 118.16 116.24 1iof n LYS 180 Ca 0.11 -0.54 -0.20 0.00 -2.87 0.00 0.00 58.31 54.81 1iof n LYS 180 Cb 0.38 -1.21 0.01 0.00 -1.84 0.00 0.00 35.03 32.36 1iof n LYS 180 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1iof n GLY 181 N 0.31 -0.43 3.05 0.72 0.00 -0.36 -5.01 105.19 103.47 1iof n GLY 181 Ca 0.11 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 1iof n GLY 181 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1iof s GLN 182 N -5.20 0.22 -0.57 1.61 -0.44 -0.48 -5.00 119.66 109.81 1iof s GLN 182 Ca 0.10 0.19 0.04 0.00 -2.50 0.00 0.00 55.36 53.19 1iof s GLN 182 Cb -0.05 0.10 0.15 0.00 -1.64 0.00 0.00 33.01 31.58 1iof s GLN 182 CO 0.13 -0.03 0.36 0.54 0.50 0.00 0.00 175.29 176.78 1iof s VAL 183 N -0.02 2.23 0.70 1.34 0.11 -1.26 -1.25 120.40 122.25 1iof s VAL 183 Ca -0.01 -3.47 -0.15 0.00 -2.93 0.00 0.00 61.98 55.42 1iof s VAL 183 Cb -0.02 -2.51 0.02 0.00 -1.53 0.00 0.00 36.38 32.34 1iof s VAL 183 CO 0.00 -0.95 1.14 -2.16 -3.33 0.00 0.00 175.10 169.81 1iof s PRO 184 N -0.58 2.51 0.94 1.54 0.04 -1.26 -5.02 135.00 133.16 1iof s PRO 184 Ca 0.22 1.49 -0.10 0.00 0.04 0.00 0.00 61.00 62.65 1iof s PRO 184 Cb -0.14 -1.90 0.15 0.00 0.04 0.00 0.00 34.50 32.64 1iof s PRO 184 CO -0.09 -1.50 1.08 -2.30 0.04 0.00 0.00 177.00 174.23 1iof n PRO 185 N -2.63 -0.58 -3.93 0.56 -0.02 -1.26 -4.95 135.00 122.18 1iof n PRO 185 Ca 0.11 -0.11 -0.10 0.00 -2.02 0.00 0.00 63.50 61.39 1iof n PRO 185 Cb 0.52 -2.32 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 1iof n PRO 185 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1iof s SER 186 N -2.57 -0.05 0.00 2.55 1.04 -1.26 -4.20 113.70 109.22 1iof s SER 186 Ca 0.66 -0.82 -0.00 0.00 0.48 0.00 0.00 55.95 56.27 1iof s SER 186 Cb -0.23 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 1iof s SER 186 CO 0.59 -0.98 -0.00 -0.32 0.98 0.00 0.00 173.24 173.51 1iof s MET 187 N -3.97 0.12 0.33 4.02 1.75 0.08 -4.91 119.30 116.73 1iof s MET 187 Ca 0.18 -0.21 -0.26 0.00 -1.25 0.00 0.00 55.69 54.14 1iof s MET 187 Cb 0.02 0.05 -0.10 0.00 2.84 0.00 0.00 34.83 37.63 1iof s MET 187 CO 0.02 -0.02 0.96 0.00 -0.65 0.00 0.00 175.02 175.33 1iof h TYR 189 N 3.14 0.28 -0.01 0.00 3.20 -1.97 0.15 116.97 121.77 1iof h TYR 189 Ca -0.47 0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.42 1iof h TYR 189 Cb 1.19 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 1iof h TYR 189 CO 0.61 -0.32 -0.17 0.93 -1.64 0.00 0.00 178.16 177.57 1iof h GLU 190 N 0.11 0.01 0.01 1.82 3.07 -1.99 0.13 114.58 117.74 1iof h GLU 190 Ca 0.60 -0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 59.26 1iof h GLU 190 Cb 1.29 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.18 1iof h GLU 190 CO -0.76 0.18 -0.96 1.98 -1.40 0.00 0.00 179.01 178.05 1iof h MET 191 N 0.01 0.03 0.27 2.33 4.05 -1.09 -1.76 114.93 118.77 1iof h MET 191 Ca 0.00 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 1iof h MET 191 Cb 0.30 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.12 1iof h MET 191 CO 0.02 0.96 -0.13 0.93 0.23 0.00 0.00 176.91 178.92 1iof h GLU 192 N 0.01 -0.35 -0.63 0.39 5.08 -0.77 -1.07 114.58 117.24 1iof h GLU 192 Ca -0.02 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1iof h GLU 192 Cb 1.68 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.95 1iof h GLU 192 CO 0.13 -0.02 0.35 1.25 -1.00 0.00 0.00 179.01 179.71 1iof h LEU 193 N -0.72 0.51 -1.43 1.33 5.85 -1.08 -1.61 115.31 118.17 1iof h LEU 193 Ca -0.04 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1iof h LEU 193 Cb 0.49 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1iof h LEU 193 CO 0.06 0.34 0.33 -0.08 -0.34 0.00 0.00 178.44 178.75 1iof h GLU 194 N 0.65 0.72 -0.35 1.25 4.57 -1.25 -1.01 114.58 119.16 1iof h GLU 194 Ca 0.28 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.34 1iof h GLU 194 Cb 0.17 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1iof h GLU 194 CO -0.18 0.50 -0.04 0.00 -1.18 0.00 0.00 179.01 178.11 1iof h ALA 195 N 1.63 0.47 0.00 2.92 0.00 -0.26 -0.11 119.26 123.92 1iof h ALA 195 Ca 0.20 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1iof h ALA 195 Cb -0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1iof h ALA 195 CO -0.04 0.28 -0.26 -0.24 0.00 0.00 0.00 179.25 178.98 1iof h VAL 196 N 0.44 0.51 -0.42 0.00 3.04 -0.80 -1.79 116.25 117.23 1iof h VAL 196 Ca 0.09 -1.47 -0.08 0.00 -1.01 0.00 0.00 66.70 64.24 1iof h VAL 196 Cb 0.52 2.05 -0.01 0.00 -2.01 0.00 0.00 31.29 31.83 1iof h VAL 196 CO 0.03 0.26 -0.04 0.11 -1.01 0.00 0.00 177.57 176.91 1iof h LYS 197 N 0.00 0.77 -0.02 4.17 1.57 -0.90 -1.87 116.57 120.28 1iof h LYS 197 Ca -0.00 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 1iof h LYS 197 Cb 1.03 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 1iof h LYS 197 CO 0.03 0.87 -0.08 0.28 -0.57 0.00 0.00 179.45 179.98 1iof h VAL 198 N 0.59 1.07 0.02 0.50 2.07 -0.74 -1.45 116.25 118.30 1iof h VAL 198 Ca 0.11 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1iof h VAL 198 Cb 0.55 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1iof h VAL 198 CO 0.03 0.10 -0.01 0.00 0.02 0.00 0.00 177.57 177.71 1iof h ALA 199 N 1.89 -0.02 -0.40 1.67 0.00 -0.78 -1.63 119.26 119.99 1iof h ALA 199 Ca 0.01 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.81 1iof h ALA 199 Cb 0.16 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1iof h ALA 199 CO 0.01 -0.33 0.00 0.82 0.00 0.00 0.00 179.25 179.75 1iof h ILE 200 N -0.39 0.70 -0.41 0.00 2.04 -1.10 -0.03 117.51 118.32 1iof h ILE 200 Ca -0.00 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1iof h ILE 200 Cb 0.37 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1iof h ILE 200 CO 0.00 0.02 0.24 -0.33 0.00 0.00 0.00 178.15 178.08 1iof h GLU 201 N 0.11 0.57 0.00 2.37 5.08 -1.24 0.24 114.58 121.71 1iof h GLU 201 Ca 0.20 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1iof h GLU 201 Cb 0.28 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1iof h GLU 201 CO -0.32 0.45 -0.17 -0.39 -1.00 0.00 0.00 179.01 177.57 1iof h VAL 202 N 0.54 0.01 -0.01 3.13 -1.51 -0.77 -2.30 116.25 115.35 1iof h VAL 202 Ca 0.15 -1.01 -0.00 0.00 -1.23 0.00 0.00 66.70 64.61 1iof h VAL 202 Cb 0.03 1.92 -0.00 0.00 -2.13 0.00 0.00 31.29 31.11 1iof h VAL 202 CO -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.32 1iof h ALA 203 N 2.00 0.01 -0.86 5.19 0.00 -0.76 -2.65 119.26 122.19 1iof h ALA 203 Ca -0.00 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.86 1iof h ALA 203 Cb 1.00 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 1iof h ALA 203 CO 0.00 -0.34 0.49 -0.07 0.00 0.00 0.00 179.25 179.34 1iof h LEU 204 N -0.29 0.70 -0.79 0.00 3.38 -0.85 0.04 115.31 117.51 1iof h LEU 204 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1iof h LEU 204 Cb 0.30 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1iof h LEU 204 CO 0.00 0.39 0.00 1.21 0.09 0.00 0.00 178.44 180.13 1iof n GLU 205 N -4.73 0.16 -0.07 1.13 2.13 -0.87 -2.82 120.64 115.56 1iof n GLU 205 Ca 0.15 0.46 -0.19 0.00 0.66 0.00 0.00 57.16 58.24 1iof n GLU 205 Cb 0.30 -1.85 -0.13 0.00 0.27 0.00 0.00 31.44 30.04 1iof n GLU 205 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1iof n GLU 206 N -2.15 0.70 -1.27 5.31 4.07 -0.12 -4.64 120.64 122.54 1iof n GLU 206 Ca 0.01 0.20 -0.37 0.00 -0.06 0.00 0.00 57.16 56.94 1iof n GLU 206 Cb 0.17 -1.60 -0.02 0.00 -0.06 0.00 0.00 31.44 29.92 1iof n GLU 206 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1iof n LEU 207 N -3.35 7.30 0.00 4.31 -0.00 -0.47 -5.12 117.00 119.67 1iof n LEU 207 Ca -0.39 -3.92 0.00 0.00 -0.00 0.00 0.00 56.01 51.69 1iof n LEU 207 Cb 1.02 -1.46 0.00 0.00 -0.00 0.00 0.00 43.42 42.98 1iof n LEU 207 CO 0.34 1.42 0.00 0.18 -0.00 0.00 0.00 177.39 179.32