#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 2.48 -0.09 0.03 1.02 -1.26 -1.45 119.74 120.47 1iof s LYS 2 Ca 0.00 -0.77 0.03 0.00 0.02 0.00 0.00 55.97 55.25 1iof s LYS 2 Cb 0.00 -2.46 0.01 0.00 -0.52 0.00 0.00 37.83 34.86 1iof s LYS 2 CO 0.00 0.59 -0.20 0.08 -0.92 0.00 0.00 175.35 174.90 1iof s VAL 3 N -1.01 1.75 -0.13 3.17 1.01 -0.60 -1.64 120.40 122.95 1iof s VAL 3 Ca 0.17 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 1iof s VAL 3 Cb -0.11 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1iof s VAL 3 CO 0.08 0.49 0.09 -0.22 0.00 0.00 0.00 175.10 175.54 1iof s LEU 4 N 0.50 4.07 -0.13 3.92 0.20 -0.39 -0.58 118.68 126.27 1iof s LEU 4 Ca -0.16 0.30 0.02 0.00 0.69 0.00 0.00 54.13 54.97 1iof s LEU 4 Cb -0.17 -1.99 0.02 0.00 -0.43 0.00 0.00 46.19 43.61 1iof s LEU 4 CO 0.06 0.33 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.59 1iof s VAL 5 N -0.59 1.75 0.35 1.68 1.01 -0.39 -1.14 120.40 123.07 1iof s VAL 5 Ca 0.12 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.40 1iof s VAL 5 Cb -0.12 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1iof s VAL 5 CO 0.02 0.49 0.18 0.42 0.00 0.00 0.00 175.10 176.21 1iof s THR 6 N 1.05 2.98 0.30 3.92 -4.23 -0.65 -1.53 115.64 117.48 1iof s THR 6 Ca -0.04 -1.63 -0.07 0.00 -1.18 0.00 0.00 61.69 58.78 1iof s THR 6 Cb -0.15 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.69 1iof s THR 6 CO -0.04 -0.15 0.47 -0.83 -0.54 0.00 0.00 174.62 173.53 1iof s GLY 7 N -3.89 1.11 0.29 3.99 0.00 -0.48 -2.07 107.32 106.27 1iof s GLY 7 Ca 0.39 -1.28 0.11 0.00 0.00 0.00 0.00 44.72 43.95 1iof s GLY 7 CO 0.23 -0.86 -0.15 -1.36 0.00 0.00 0.00 173.10 170.96 1iof s PHE 8 N -3.39 2.37 1.29 1.90 0.40 -1.26 0.01 117.98 119.30 1iof s PHE 8 Ca 0.28 -0.35 -0.21 0.00 -0.60 0.00 0.00 56.93 56.05 1iof s PHE 8 Cb -0.00 -1.10 0.32 0.00 0.51 0.00 0.00 43.02 42.75 1iof s PHE 8 CO 0.15 0.68 1.04 -1.21 0.70 0.00 0.00 175.22 176.58 1iof s GLU 9 N -3.56 -1.91 -0.12 0.44 2.02 -1.08 -2.85 118.70 111.64 1iof s GLU 9 Ca 0.31 0.02 -0.29 0.00 0.02 0.00 0.00 54.97 55.03 1iof s GLU 9 Cb -0.04 -1.51 -0.06 0.00 0.10 0.00 0.00 34.13 32.62 1iof s GLU 9 CO 0.16 -4.18 2.11 -2.14 0.02 0.00 0.00 175.26 171.22 1iof s PRO 10 N -5.27 3.53 0.88 0.39 0.02 -1.26 -4.72 135.00 128.57 1iof s PRO 10 Ca 0.70 2.24 -0.11 0.00 0.02 0.00 0.00 61.00 63.85 1iof s PRO 10 Cb -0.11 -4.29 0.12 0.00 0.02 0.00 0.00 34.50 30.24 1iof s PRO 10 CO 0.57 -1.65 1.09 -0.06 -0.33 0.00 0.00 177.00 176.62 1iof s PHE 11 N 6.76 2.37 0.04 6.54 0.08 -1.26 -4.91 117.98 127.61 1iof s PHE 11 Ca 0.95 1.27 -0.37 0.00 0.12 0.00 0.00 56.93 58.90 1iof s PHE 11 Cb -0.36 -3.15 -0.16 0.00 -0.57 0.00 0.00 43.02 38.78 1iof s PHE 11 CO 0.37 -2.31 1.47 0.41 -0.10 0.00 0.00 175.22 175.06 1iof n GLY 12 N -1.20 0.69 0.00 4.36 0.00 -1.26 -2.91 105.19 104.86 1iof n GLY 12 Ca 0.07 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.82 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 3.01 2.45 3.75 -0.02 0.00 -1.26 -5.04 105.19 108.08 1iof n GLY 13 Ca 0.19 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 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 3.17 -0.00 1.61 0.41 -1.15 -4.95 118.70 117.79 1iof s GLU 14 Ca 0.00 1.96 0.22 0.00 -0.41 0.00 0.00 54.97 56.74 1iof s GLU 14 Cb 0.00 -2.13 -0.28 0.00 -1.78 0.00 0.00 34.13 29.94 1iof s GLU 14 CO 0.00 -1.08 0.62 1.17 -0.49 0.00 0.00 175.26 175.47 1iof n LYS 15 N -1.19 0.53 -4.15 1.61 3.00 -1.26 -4.67 118.16 112.03 1iof n LYS 15 Ca 0.11 -0.14 -0.15 0.00 -0.00 0.00 0.00 58.31 58.14 1iof n LYS 15 Cb 0.48 -1.54 -0.13 0.00 0.00 0.00 0.00 35.03 33.83 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 -3.41 0.52 -0.25 3.15 2.07 -1.26 -4.86 121.20 117.17 1iof s ILE 16 Ca -0.04 -0.59 0.01 0.00 -1.41 0.00 0.00 60.65 58.62 1iof s ILE 16 Cb 0.14 -0.50 0.07 0.00 0.13 0.00 0.00 42.46 42.29 1iof s ILE 16 CO 0.89 -0.07 -0.05 0.21 -1.91 0.00 0.00 174.94 174.02 1iof s ASN 17 N -0.72 4.04 0.42 4.50 3.84 -1.26 -4.83 114.94 120.94 1iof s ASN 17 Ca -0.02 -1.32 0.28 0.00 0.21 0.00 0.00 52.86 52.00 1iof s ASN 17 Cb -0.05 -1.27 1.50 0.00 -0.55 0.00 0.00 41.25 40.88 1iof s ASN 17 CO 0.00 -0.25 1.84 1.55 -2.79 0.00 0.00 177.10 177.46 1iof h PRO 18 N 7.90 0.00 0.00 0.43 0.13 -1.93 -2.37 132.00 136.16 1iof h PRO 18 Ca -0.17 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.87 1iof h PRO 18 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1iof h PRO 18 CO 0.43 0.00 -0.46 1.79 -0.23 0.00 0.00 178.00 179.53 1iof h THR 19 N 0.00 0.73 -0.89 1.56 1.35 -1.92 -1.60 112.91 112.15 1iof h THR 19 Ca 0.00 -2.04 0.00 0.00 -0.55 0.00 0.00 66.41 63.83 1iof h THR 19 Cb 0.03 2.35 -0.04 0.00 -1.73 0.00 0.00 68.15 68.76 1iof h THR 19 CO 0.00 0.42 0.57 -0.08 -0.25 0.00 0.00 175.52 176.18 1iof h GLU 20 N 0.00 1.18 -0.18 4.72 4.81 -1.27 -1.72 114.58 122.12 1iof h GLU 20 Ca -0.01 -0.08 -0.18 0.00 -0.13 0.00 0.00 59.36 58.96 1iof h GLU 20 Cb 1.34 -0.26 0.01 0.00 0.63 0.00 0.00 28.75 30.46 1iof h GLU 20 CO 0.06 0.79 -0.57 0.00 -0.73 0.00 0.00 179.01 178.56 1iof h ARG 21 N 1.21 0.71 -0.93 1.92 3.08 -1.59 -2.49 114.38 116.28 1iof h ARG 21 Ca 0.32 -0.52 0.04 0.00 0.07 0.00 0.00 59.98 59.89 1iof h ARG 21 Cb -0.11 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 1iof h ARG 21 CO -0.07 1.14 0.61 0.82 -1.07 0.00 0.00 179.97 181.40 1iof h ILE 22 N 0.41 1.14 -0.18 2.04 2.04 -1.12 -0.89 117.51 120.95 1iof h ILE 22 Ca -0.02 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 1iof h ILE 22 Cb 1.20 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1iof h ILE 22 CO 0.12 0.21 0.04 0.00 0.00 0.00 0.00 178.15 178.53 1iof h ALA 23 N 1.47 0.24 -0.35 1.87 0.00 -1.17 -2.36 119.26 118.95 1iof h ALA 23 Ca 0.37 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 1iof h ALA 23 Cb 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1iof h ALA 23 CO -0.12 -0.12 -0.14 0.87 0.00 0.00 0.00 179.25 179.74 1iof h LYS 24 N 0.10 0.63 0.00 0.00 1.57 -1.13 -2.34 116.57 115.40 1iof h LYS 24 Ca 0.06 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1iof h LYS 24 Cb 0.26 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1iof h LYS 24 CO 0.00 0.75 0.00 -0.44 -0.57 0.00 0.00 179.45 179.19 1iof h ASP 25 N 0.57 0.00 -0.01 0.86 3.45 -1.01 -3.06 116.42 117.23 1iof h ASP 25 Ca 0.10 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.56 1iof h ASP 25 Cb 0.58 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.35 1iof h ASP 25 CO 0.04 0.00 -0.75 0.18 -1.57 0.00 0.00 179.24 177.14 1iof n LEU 26 N -3.05 1.45 -4.70 1.55 4.77 -0.90 -4.86 117.00 111.26 1iof n LEU 26 Ca 0.03 -0.62 -0.42 0.00 -0.03 0.00 0.00 56.01 54.96 1iof n LEU 26 Cb 0.42 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 1iof n LEU 26 CO 0.31 0.30 1.20 -0.62 -1.33 0.00 0.00 177.39 177.25 1iof s ASP 27 N -2.72 6.71 0.00 -1.43 3.68 -0.90 -2.28 116.67 119.73 1iof s ASP 27 Ca 0.13 2.37 0.00 0.00 2.13 0.00 0.00 52.55 57.18 1iof s ASP 27 Cb 0.17 -2.57 0.00 0.00 -1.45 0.00 0.00 42.92 39.06 1iof s ASP 27 CO 0.72 -0.78 0.00 0.61 0.13 0.00 0.00 175.17 175.84 1iof n GLY 28 N 3.76 0.97 3.93 2.66 0.00 -0.11 -4.91 105.19 111.50 1iof n GLY 28 Ca 0.14 0.00 -0.27 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 -3.33 2.12 -0.03 -0.61 -4.36 -0.97 -4.79 121.20 109.23 1iof s ILE 29 Ca 0.00 -0.18 0.02 0.00 -0.26 0.00 0.00 60.65 60.23 1iof s ILE 29 Cb 0.00 -2.94 0.01 0.00 1.25 0.00 0.00 42.46 40.78 1iof s ILE 29 CO 0.00 0.00 -0.06 -0.54 0.24 0.00 0.00 174.94 174.58 1iof s LYS 30 N -5.49 0.86 -0.22 0.37 1.02 -1.26 -1.30 119.74 113.72 1iof s LYS 30 Ca 0.65 -0.20 0.02 0.00 0.02 0.00 0.00 55.97 56.47 1iof s LYS 30 Cb -0.08 -0.83 0.04 0.00 -0.52 0.00 0.00 37.83 36.44 1iof s LYS 30 CO 0.48 0.01 -0.15 0.42 -0.92 0.00 0.00 175.35 175.19 1iof s ILE 31 N 0.53 2.06 0.00 2.17 1.01 -0.67 -4.90 121.20 121.39 1iof s ILE 31 Ca -0.07 -1.26 0.00 0.00 0.00 0.00 0.00 60.65 59.31 1iof s ILE 31 Cb -0.11 -2.03 0.00 0.00 0.01 0.00 0.00 42.46 40.33 1iof s ILE 31 CO 0.00 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.80 1iof n GLY 32 N 4.54 3.27 0.35 6.18 0.00 -1.26 -1.16 105.19 117.11 1iof n GLY 32 Ca -0.17 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 9.23 2.06 -4.63 1.61 5.75 -1.26 -4.98 116.55 124.33 1iof n ASP 33 Ca 0.00 -3.50 -0.34 0.00 -0.01 0.00 0.00 54.79 50.94 1iof n ASP 33 Cb 0.00 -0.48 -0.10 0.00 -1.03 0.00 0.00 41.12 39.51 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 -3.06 3.38 0.25 2.12 0.00 -0.31 -4.05 121.76 120.09 1iof s ALA 34 Ca 0.35 -0.75 -0.26 0.00 0.00 0.00 0.00 51.96 51.30 1iof s ALA 34 Cb 0.33 -1.86 -0.09 0.00 0.00 0.00 0.00 23.12 21.50 1iof s ALA 34 CO -0.02 0.23 0.87 -1.14 0.00 0.00 0.00 175.76 175.70 1iof s GLN 35 N 0.23 4.60 -0.07 0.00 -0.44 -0.52 -1.68 119.66 121.77 1iof s GLN 35 Ca 0.03 1.26 0.02 0.00 -2.50 0.00 0.00 55.36 54.18 1iof s GLN 35 Cb -0.12 -3.06 -0.02 0.00 -1.64 0.00 0.00 33.01 28.17 1iof s GLN 35 CO 0.01 0.43 -0.14 0.08 0.50 0.00 0.00 175.29 176.17 1iof s VAL 36 N -1.37 3.04 0.16 1.34 1.01 -0.42 -1.55 120.40 122.60 1iof s VAL 36 Ca 0.43 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.79 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 -0.15 -0.36 0.00 0.00 0.00 175.10 175.42 1iof s PHE 37 N -0.38 2.54 -0.04 5.22 0.40 0.26 -0.94 117.98 125.04 1iof s PHE 37 Ca 0.04 -0.26 0.00 0.00 -0.60 0.00 0.00 56.93 56.11 1iof s PHE 37 Cb -0.12 -1.28 0.03 0.00 0.51 0.00 0.00 43.02 42.15 1iof s PHE 37 CO 0.02 0.47 -0.01 0.20 0.70 0.00 0.00 175.22 176.60 1iof s GLY 38 N -2.57 0.33 0.05 4.36 0.00 -1.26 -1.27 107.32 106.96 1iof s GLY 38 Ca 0.22 0.07 0.01 0.00 0.00 0.00 0.00 44.72 45.02 1iof s GLY 38 CO 0.13 0.68 -0.06 0.50 0.00 0.00 0.00 173.10 174.34 1iof s ARG 39 N 1.19 0.56 -0.21 2.90 1.81 -0.58 -4.76 118.95 119.86 1iof s ARG 39 Ca -0.07 -0.91 -0.02 0.00 -1.72 0.00 0.00 55.73 53.01 1iof s ARG 39 Cb -0.13 -0.14 0.00 0.00 -0.45 0.00 0.00 34.95 34.23 1iof s ARG 39 CO -0.02 -0.00 -0.10 0.08 -0.68 0.00 0.00 175.30 174.58 1iof s VAL 40 N -2.18 2.88 0.29 3.52 1.01 -1.26 -1.38 120.40 123.28 1iof s VAL 40 Ca -0.04 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 1iof s VAL 40 Cb -0.05 -2.29 -0.09 0.00 0.00 0.00 0.00 36.38 33.95 1iof s VAL 40 CO -0.02 0.45 0.79 -0.76 0.00 0.00 0.00 175.10 175.57 1iof s LEU 41 N 1.40 4.23 0.67 3.92 1.43 0.10 -4.91 118.68 125.53 1iof s LEU 41 Ca 0.05 1.49 -0.14 0.00 -1.03 0.00 0.00 54.13 54.50 1iof s LEU 41 Cb -0.14 -3.90 0.01 0.00 0.03 0.00 0.00 46.19 42.19 1iof s LEU 41 CO -0.07 -0.09 1.10 -2.16 0.23 0.00 0.00 176.35 175.36 1iof s PRO 42 N -2.38 2.75 -0.97 1.29 0.04 -1.26 -2.64 135.00 131.82 1iof s PRO 42 Ca 0.49 1.34 -0.01 0.00 0.04 0.00 0.00 61.00 62.86 1iof s PRO 42 Cb -0.15 -1.95 0.31 0.00 0.04 0.00 0.00 34.50 32.76 1iof s PRO 42 CO 0.20 -1.28 1.53 0.28 0.04 0.00 0.00 177.00 177.76 1iof n VAL 43 N -2.58 5.24 -3.73 -0.36 0.31 -1.26 -4.56 118.33 111.38 1iof n VAL 43 Ca 0.10 -5.87 -0.24 0.00 -0.01 0.00 0.00 64.34 58.31 1iof n VAL 43 Cb 0.52 -1.78 -0.17 0.00 -0.91 0.00 0.00 33.84 31.50 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 -3.62 0.31 0.44 2.52 1.01 -1.26 -0.01 120.40 119.79 1iof s VAL 44 Ca 0.37 -0.04 -0.25 0.00 0.00 0.00 0.00 61.98 62.05 1iof s VAL 44 Cb 0.14 -0.62 -0.08 0.00 0.00 0.00 0.00 36.38 35.82 1iof s VAL 44 CO -0.03 0.08 1.39 -0.36 0.00 0.00 0.00 175.10 176.18 1iof s PHE 45 N 1.98 2.55 0.00 5.22 0.40 -1.26 -0.82 117.98 126.06 1iof s PHE 45 Ca 0.03 1.31 0.00 0.00 -0.60 0.00 0.00 56.93 57.67 1iof s PHE 45 Cb -0.14 -3.84 0.00 0.00 0.51 0.00 0.00 43.02 39.55 1iof s PHE 45 CO -0.06 -2.69 0.00 0.41 0.70 0.00 0.00 175.22 173.58 1iof n GLY 46 N 0.60 1.95 0.31 4.36 0.00 -1.26 -4.58 105.19 106.58 1iof n GLY 46 Ca 0.05 -0.61 -0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 0.89 0.00 1.61 1.63 -1.96 0.73 116.57 119.47 1iof h LYS 47 Ca 0.00 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 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 0.59 -0.13 0.00 -3.45 0.00 0.00 179.45 176.46 1iof h ALA 48 N 1.39 1.66 -0.06 5.00 0.00 -1.22 -0.65 119.26 125.37 1iof h ALA 48 Ca 0.35 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 1iof h ALA 48 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1iof h ALA 48 CO -0.17 0.16 -0.35 -0.22 0.00 0.00 0.00 179.25 178.67 1iof h LYS 49 N 0.00 0.35 0.38 0.00 3.64 -1.16 -1.21 116.57 118.57 1iof h LYS 49 Ca -0.00 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1iof h LYS 49 Cb 0.24 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1iof h LYS 49 CO 0.02 0.94 -0.38 1.49 -2.27 0.00 0.00 179.45 179.25 1iof h GLU 50 N -0.14 -0.75 -0.68 1.90 4.81 -0.69 0.59 114.58 119.62 1iof h GLU 50 Ca -0.03 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1iof h GLU 50 Cb 1.01 0.17 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 1iof h GLU 50 CO 0.07 -0.50 0.42 0.28 -0.73 0.00 0.00 179.01 178.55 1iof h VAL 51 N -0.78 1.08 -0.59 0.32 2.07 -1.21 -1.53 116.25 115.61 1iof h VAL 51 Ca -0.03 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1iof h VAL 51 Cb 0.70 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1iof h VAL 51 CO -0.06 0.15 0.25 0.25 0.02 0.00 0.00 177.57 178.18 1iof h LEU 52 N 0.83 0.80 -0.23 2.57 6.46 -0.83 -0.75 115.31 124.16 1iof h LEU 52 Ca 0.28 -0.16 -0.13 0.00 -0.12 0.00 0.00 57.88 57.75 1iof h LEU 52 Cb 0.03 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 39.75 1iof h LEU 52 CO -0.11 0.74 -0.36 -0.33 -0.62 0.00 0.00 178.44 177.76 1iof h GLU 53 N 0.82 0.65 -0.23 1.25 5.08 -0.41 -0.02 114.58 121.72 1iof h GLU 53 Ca 0.20 -0.39 0.05 0.00 -1.00 0.00 0.00 59.36 58.21 1iof h GLU 53 Cb 0.17 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 1iof h GLU 53 CO -0.02 1.01 -0.07 0.87 -1.00 0.00 0.00 179.01 179.80 1iof h LYS 54 N 0.35 -0.02 -1.00 2.33 1.57 -1.22 -0.37 116.57 118.21 1iof h LYS 54 Ca 0.02 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1iof h LYS 54 Cb 0.95 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.22 1iof h LYS 54 CO 0.08 -0.01 0.66 1.15 -0.57 0.00 0.00 179.45 180.76 1iof h THR 55 N -0.02 1.25 -0.47 -0.16 2.02 -0.97 0.11 112.91 114.67 1iof h THR 55 Ca 0.11 -0.46 -0.12 0.00 0.77 0.00 0.00 66.41 66.72 1iof h THR 55 Cb 0.19 -0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.37 1iof h THR 55 CO -0.25 0.24 -0.17 -0.07 0.37 0.00 0.00 175.52 175.64 1iof h LEU 56 N 1.34 0.92 -0.08 2.58 3.38 -0.42 -1.56 115.31 121.48 1iof h LEU 56 Ca 0.37 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1iof h LEU 56 Cb -0.14 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.36 1iof h LEU 56 CO -0.08 1.08 -0.01 -0.08 0.09 0.00 0.00 178.44 179.43 1iof h GLU 57 N 0.80 0.15 -0.41 1.13 4.57 -0.45 0.17 114.58 120.53 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 0.72 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 1iof h GLU 57 CO 0.06 0.45 0.16 1.49 -1.18 0.00 0.00 179.01 179.98 1iof h GLU 58 N -0.16 0.63 0.00 1.92 4.81 -0.76 -3.30 114.58 117.72 1iof h GLU 58 Ca 0.02 -0.12 -0.25 0.00 -0.13 0.00 0.00 59.36 58.88 1iof h GLU 58 Cb 0.39 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 1iof h GLU 58 CO 0.01 0.60 -1.73 -0.89 -0.73 0.00 0.00 179.01 176.26 1iof n ILE 59 N -4.62 1.35 -4.06 2.32 5.41 -0.59 -5.00 119.36 114.17 1iof n ILE 59 Ca 0.00 -0.76 -0.45 0.00 1.00 0.00 0.00 62.75 62.54 1iof n ILE 59 Cb 0.16 -0.79 0.02 0.00 -0.71 0.00 0.00 39.64 38.32 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 -2.91 -0.34 -1.82 0.38 5.02 0.59 -4.90 118.16 114.18 1iof n LYS 60 Ca -0.16 0.13 -0.34 0.00 -2.02 0.00 0.00 58.31 55.91 1iof n LYS 60 Cb 0.97 -2.43 0.05 0.00 -0.02 0.00 0.00 35.03 33.60 1iof n LYS 60 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1iof s PRO 61 N -7.24 2.76 0.08 1.97 0.05 -1.26 -4.84 135.00 126.51 1iof s PRO 61 Ca 0.45 1.65 0.01 0.00 0.05 0.00 0.00 61.00 63.15 1iof s PRO 61 Cb -0.25 -1.92 -0.25 0.00 0.05 0.00 0.00 34.50 32.13 1iof s PRO 61 CO 0.97 -1.33 1.15 -0.44 0.05 0.00 0.00 177.00 177.40 1iof h ASP 62 N 0.37 0.25 -3.40 6.66 3.32 -1.66 -3.35 116.42 118.61 1iof h ASP 62 Ca -0.49 -0.28 -0.43 0.00 0.02 0.00 0.00 57.03 55.86 1iof h ASP 62 Cb 1.28 -0.08 -0.35 0.00 0.22 0.00 0.00 39.33 40.40 1iof h ASP 62 CO 0.54 1.22 -0.77 -0.63 -1.72 0.00 0.00 179.24 177.87 1iof s ILE 63 N -2.67 0.56 -0.05 0.35 1.01 -1.19 -0.55 121.20 118.66 1iof s ILE 63 Ca -0.03 -0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.59 1iof s ILE 63 Cb 0.08 -0.61 -0.01 0.00 0.01 0.00 0.00 42.46 41.93 1iof s ILE 63 CO 0.86 0.25 -0.24 0.00 0.00 0.00 0.00 174.94 175.80 1iof s ALA 64 N 1.16 2.21 -0.14 9.38 0.00 -0.61 -1.26 121.76 132.51 1iof s ALA 64 Ca -0.07 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 50.83 1iof s ALA 64 Cb -0.14 -0.69 0.04 0.00 0.00 0.00 0.00 23.12 22.33 1iof s ALA 64 CO -0.01 0.44 -0.04 0.42 0.00 0.00 0.00 175.76 176.57 1iof s ILE 65 N -0.26 0.89 -0.08 0.00 1.01 -0.29 -3.28 121.20 119.18 1iof s ILE 65 Ca -0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 60.65 60.23 1iof s ILE 65 Cb -0.13 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 1iof s ILE 65 CO 0.03 0.18 0.05 -1.00 0.00 0.00 0.00 174.94 174.20 1iof s HIS 66 N 1.74 3.29 -0.00 3.97 3.76 -0.02 -1.64 115.29 126.39 1iof s HIS 66 Ca 0.03 0.27 0.04 0.00 -0.15 0.00 0.00 55.06 55.25 1iof s HIS 66 Cb -0.14 -1.81 -0.01 0.00 1.11 0.00 0.00 32.58 31.73 1iof s HIS 66 CO -0.07 0.55 -0.14 0.08 -0.85 0.00 0.00 174.74 174.31 1iof s VAL 67 N -0.98 1.08 0.17 -0.90 1.01 -0.88 -0.52 120.40 119.37 1iof s VAL 67 Ca 0.16 -0.65 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 1iof s VAL 67 Cb -0.12 -0.91 -0.00 0.00 0.00 0.00 0.00 36.38 35.35 1iof s VAL 67 CO 0.05 0.25 0.33 -0.83 0.00 0.00 0.00 175.10 174.90 1iof s GLY 68 N -0.46 0.35 -0.13 4.51 0.00 0.11 -4.23 107.32 107.47 1iof s GLY 68 Ca 0.05 -0.75 -0.25 0.00 0.00 0.00 0.00 44.72 43.77 1iof s GLY 68 CO -0.00 -0.72 0.80 -2.27 0.00 0.00 0.00 173.10 170.91 1iof s LEU 69 N -2.95 4.22 -0.66 0.66 0.20 -1.26 -0.15 118.68 118.74 1iof s LEU 69 Ca 0.15 1.20 0.01 0.00 0.69 0.00 0.00 54.13 56.18 1iof s LEU 69 Cb 0.02 -3.20 0.16 0.00 -0.43 0.00 0.00 46.19 42.74 1iof s LEU 69 CO -0.01 -0.31 0.46 0.00 -0.29 0.00 0.00 176.35 176.20 1iof s ALA 70 N 1.70 3.68 -0.27 5.97 0.00 0.12 -4.84 121.76 128.13 1iof s ALA 70 Ca 0.39 -3.52 -0.41 0.00 0.00 0.00 0.00 51.96 48.42 1iof s ALA 70 Cb -0.17 -2.41 -0.16 0.00 0.00 0.00 0.00 23.12 20.37 1iof s ALA 70 CO 0.15 -2.09 1.69 -2.30 0.00 0.00 0.00 175.76 173.21 1iof n PRO 71 N 2.77 1.03 -0.19 0.00 -0.02 -1.26 -1.01 135.00 136.31 1iof n PRO 71 Ca 0.12 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1iof n PRO 71 Cb 0.35 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 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 4.01 0.68 3.86 -1.23 0.00 -1.26 -5.01 105.19 106.24 1iof n GLY 72 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.73 3.93 0.00 1.61 0.52 -0.18 -4.68 118.95 119.41 1iof s ARG 73 Ca 0.00 0.54 0.18 0.00 -0.52 0.00 0.00 55.73 55.93 1iof s ARG 73 Cb 0.00 -2.49 0.08 0.00 0.52 0.00 0.00 34.95 33.06 1iof s ARG 73 CO 0.00 0.19 1.02 -1.13 0.02 0.00 0.00 175.30 175.39 1iof n SER 74 N -0.37 2.19 -3.38 0.23 3.41 -1.26 -4.41 113.62 110.03 1iof n SER 74 Ca 0.03 -1.59 -0.13 0.00 -0.26 0.00 0.00 58.87 56.91 1iof n SER 74 Cb 0.53 0.22 -0.04 0.00 -0.26 0.00 0.00 64.21 64.66 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 -1.81 0.53 0.12 7.33 0.00 -1.26 -4.87 121.76 121.81 1iof s ALA 75 Ca 0.19 -1.38 -0.30 0.00 0.00 0.00 0.00 51.96 50.47 1iof s ALA 75 Cb 0.15 1.12 -0.07 0.00 0.00 0.00 0.00 23.12 24.32 1iof s ALA 75 CO 0.34 -0.81 1.21 0.42 0.00 0.00 0.00 175.76 176.92 1iof s ILE 76 N -3.20 3.77 -0.12 0.00 -1.09 -0.60 -4.23 121.20 115.74 1iof s ILE 76 Ca 0.29 1.36 0.03 0.00 -2.23 0.00 0.00 60.65 60.10 1iof s ILE 76 Cb -0.00 -3.87 0.01 0.00 -1.58 0.00 0.00 42.46 37.01 1iof s ILE 76 CO 0.18 0.16 -0.23 -0.94 -1.23 0.00 0.00 174.94 172.88 1iof s SER 77 N 0.62 3.05 -0.30 3.58 1.04 -0.67 -0.18 113.70 120.84 1iof s SER 77 Ca 0.56 -0.57 -0.15 0.00 0.48 0.00 0.00 55.95 56.27 1iof s SER 77 Cb -0.31 -1.40 -0.03 0.00 0.10 0.00 0.00 66.02 64.38 1iof s SER 77 CO 0.33 0.12 0.38 -0.63 0.98 0.00 0.00 173.24 174.41 1iof s ILE 78 N 0.57 5.16 0.05 -1.02 1.01 0.54 -0.96 121.20 126.54 1iof s ILE 78 Ca -0.13 0.39 -0.31 0.00 0.00 0.00 0.00 60.65 60.60 1iof s ILE 78 Cb -0.17 -3.76 -0.06 0.00 0.01 0.00 0.00 42.46 38.49 1iof s ILE 78 CO 0.04 0.05 1.28 -1.61 0.00 0.00 0.00 174.94 174.69 1iof s GLU 79 N 2.09 4.37 -0.03 2.79 0.41 -0.74 -0.83 118.70 126.76 1iof s GLU 79 Ca 0.14 1.86 0.04 0.00 -0.41 0.00 0.00 54.97 56.61 1iof s GLU 79 Cb -0.16 -3.39 -0.25 0.00 -1.78 0.00 0.00 34.13 28.55 1iof s GLU 79 CO 0.11 -0.38 0.73 -0.09 -0.49 0.00 0.00 175.26 175.14 1iof h ARG 80 N 7.07 0.11 -3.68 1.61 2.43 -1.56 -3.42 114.38 116.95 1iof h ARG 80 Ca -0.40 -0.19 -0.23 0.00 -0.81 0.00 0.00 59.98 58.35 1iof h ARG 80 Cb 1.20 0.07 -0.28 0.00 -0.42 0.00 0.00 29.97 30.54 1iof h ARG 80 CO 0.85 0.84 -0.70 0.42 -1.51 0.00 0.00 179.97 179.87 1iof s ILE 81 N -2.61 -0.00 -0.01 1.20 1.01 -1.26 -0.66 121.20 118.87 1iof s ILE 81 Ca -0.08 0.01 0.05 0.00 0.00 0.00 0.00 60.65 60.62 1iof s ILE 81 Cb 0.08 -0.04 -0.03 0.00 0.01 0.00 0.00 42.46 42.48 1iof s ILE 81 CO 0.82 0.00 -0.15 0.00 0.00 0.00 0.00 174.94 175.61 1iof s ALA 82 N 0.04 2.66 0.16 9.38 0.00 -0.35 -4.39 121.76 129.25 1iof s ALA 82 Ca -0.00 -1.07 0.09 0.00 0.00 0.00 0.00 51.96 50.97 1iof s ALA 82 Cb -0.00 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 1iof s ALA 82 CO -0.00 0.57 -0.19 0.14 0.00 0.00 0.00 175.76 176.28 1iof s VAL 83 N -0.84 1.82 -1.58 0.00 -7.23 -1.26 -1.66 120.40 109.65 1iof s VAL 83 Ca 0.13 -1.86 -0.09 0.00 -1.81 0.00 0.00 61.98 58.35 1iof s VAL 83 Cb -0.11 -1.81 -0.05 0.00 0.56 0.00 0.00 36.38 34.97 1iof s VAL 83 CO 0.03 -0.27 2.86 -3.20 -0.31 0.00 0.00 175.10 174.21 1iof n ASN 84 N 0.41 8.57 -3.66 4.85 2.85 0.15 -4.84 115.26 123.60 1iof n ASN 84 Ca -0.14 -2.67 -0.15 0.00 -0.11 0.00 0.00 54.58 51.51 1iof n ASN 84 Cb 0.56 -1.53 -0.08 0.00 1.24 0.00 0.00 39.78 39.98 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 1.65 -1.20 -0.15 5.20 0.00 -1.26 -3.65 121.76 122.35 1iof s ALA 85 Ca 0.67 0.79 0.02 0.00 0.00 0.00 0.00 51.96 53.44 1iof s ALA 85 Cb 0.18 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.30 1iof s ALA 85 CO -0.07 -0.30 -0.21 0.42 0.00 0.00 0.00 175.76 175.60 1iof s ILE 86 N -1.17 2.04 -0.43 0.00 1.01 0.05 -4.78 121.20 117.92 1iof s ILE 86 Ca -0.12 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 59.62 1iof s ILE 86 Cb -0.03 -1.81 0.18 0.00 0.01 0.00 0.00 42.46 40.81 1iof s ILE 86 CO 0.06 0.54 0.43 -0.67 0.00 0.00 0.00 174.94 175.31 1iof n ASP 87 N 4.20 -1.08 -4.69 3.58 4.64 0.28 -1.55 116.55 121.94 1iof n ASP 87 Ca -0.20 -2.50 -0.42 0.00 -1.38 0.00 0.00 54.79 50.28 1iof n ASP 87 Cb 0.51 -0.08 -0.03 0.00 -1.04 0.00 0.00 41.12 40.49 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 0.17 3.57 -0.07 -1.67 0.00 0.13 -4.66 121.76 119.23 1iof s ALA 88 Ca 0.32 0.81 -0.24 0.00 0.00 0.00 0.00 51.96 52.86 1iof s ALA 88 Cb 0.04 -3.58 -0.28 0.00 0.00 0.00 0.00 23.12 19.30 1iof s ALA 88 CO -0.17 -0.90 0.89 -0.09 0.00 0.00 0.00 175.76 175.50 1iof h ARG 89 N 7.79 0.20 -6.42 0.00 2.43 -1.90 -3.39 114.38 113.10 1iof h ARG 89 Ca -0.37 -0.30 -0.51 0.00 -0.81 0.00 0.00 59.98 57.98 1iof h ARG 89 Cb 1.17 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1iof h ARG 89 CO 0.90 1.11 -0.21 0.42 -1.51 0.00 0.00 179.97 180.68 1iof s ILE 90 N -2.53 5.09 0.60 1.20 1.01 -1.26 -5.08 121.20 120.22 1iof s ILE 90 Ca -0.15 -0.17 -0.18 0.00 0.00 0.00 0.00 60.65 60.15 1iof s ILE 90 Cb -0.00 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 1iof s ILE 90 CO 0.77 -0.32 1.16 -2.16 0.00 0.00 0.00 174.94 174.40 1iof s PRO 91 N -3.63 3.02 1.06 2.79 0.04 -1.26 -4.70 135.00 132.32 1iof s PRO 91 Ca 0.42 1.67 -0.14 0.00 0.04 0.00 0.00 61.00 62.99 1iof s PRO 91 Cb -0.11 -1.95 0.22 0.00 0.04 0.00 0.00 34.50 32.70 1iof s PRO 91 CO 0.31 -1.13 1.09 0.16 0.04 0.00 0.00 177.00 177.46 1iof s ASP 92 N -1.85 2.08 0.08 6.66 3.84 0.11 -4.76 116.67 122.83 1iof s ASP 92 Ca 0.74 1.10 0.04 0.00 -0.00 0.00 0.00 52.55 54.43 1iof s ASP 92 Cb -0.26 -1.71 0.24 0.00 -1.38 0.00 0.00 42.92 39.81 1iof s ASP 92 CO 0.33 -3.46 1.07 0.59 -0.00 0.00 0.00 175.17 173.70 1iof n ASN 93 N -4.38 0.12 0.01 2.11 5.03 0.98 -0.63 115.26 118.49 1iof n ASN 93 Ca 0.06 0.49 0.12 0.00 0.87 0.00 0.00 54.58 56.12 1iof n ASN 93 Cb 0.58 -0.50 0.14 0.00 -1.02 0.00 0.00 39.78 38.97 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 0.09 0.00 3.52 -0.58 -1.26 -4.98 120.64 115.82 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 0.09 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.42 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 1.46 0.81 3.77 0.62 0.00 0.20 -5.08 105.19 106.96 1iof n GLY 95 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.75 4.06 -0.17 1.61 -2.85 -1.26 -4.79 119.74 115.60 1iof s LYS 96 Ca 0.00 0.02 -0.01 0.00 -1.00 0.00 0.00 55.97 54.98 1iof s LYS 96 Cb 0.00 -3.36 -0.01 0.00 -2.06 0.00 0.00 37.83 32.40 1iof s LYS 96 CO 0.00 0.40 -0.11 0.21 0.10 0.00 0.00 175.35 175.95 1iof s LYS 97 N 0.01 3.33 -0.25 1.78 2.20 -1.26 -0.71 119.74 124.84 1iof s LYS 97 Ca 0.15 -0.68 -0.04 0.00 -0.36 0.00 0.00 55.97 55.04 1iof s LYS 97 Cb -0.13 -2.75 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 1iof s LYS 97 CO 0.04 0.02 -0.01 0.42 -0.36 0.00 0.00 175.35 175.45 1iof s ILE 98 N 0.86 3.44 -0.27 5.43 1.01 -1.26 -4.96 121.20 125.45 1iof s ILE 98 Ca -0.03 -0.65 -0.10 0.00 0.00 0.00 0.00 60.65 59.87 1iof s ILE 98 Cb -0.15 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 1iof s ILE 98 CO 0.00 0.29 0.15 -1.61 0.00 0.00 0.00 174.94 173.77 1iof s GLU 99 N 1.46 3.90 -0.81 2.79 0.41 -1.26 0.18 118.70 125.36 1iof s GLU 99 Ca 0.04 -0.35 -0.01 0.00 -0.41 0.00 0.00 54.97 54.24 1iof s GLU 99 Cb -0.15 -3.55 0.00 0.00 -1.78 0.00 0.00 34.13 28.64 1iof s GLU 99 CO -0.02 -0.14 0.64 -0.25 -0.49 0.00 0.00 175.26 175.00 1iof n ASP 100 N 4.89 -5.72 -4.38 -0.19 8.00 -0.60 -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 -2.78 -0.13 0.00 -0.02 0.00 0.00 41.12 38.70 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 -4.42 1.43 0.71 -1.24 2.56 -1.10 -4.96 118.70 111.69 1iof s GLU 101 Ca 0.02 -1.31 -0.11 0.00 0.00 0.00 0.00 54.97 53.56 1iof s GLU 101 Cb -0.01 -1.88 0.02 0.00 2.00 0.00 0.00 34.13 34.26 1iof s GLU 101 CO 0.85 0.45 1.07 -1.25 -0.56 0.00 0.00 175.26 175.83 1iof s PRO 102 N -1.96 2.81 -0.15 4.30 0.04 -1.26 -0.77 135.00 138.02 1iof s PRO 102 Ca 0.13 0.74 -0.18 0.00 0.04 0.00 0.00 61.00 61.73 1iof s PRO 102 Cb -0.10 -1.99 -0.15 0.00 0.04 0.00 0.00 34.50 32.29 1iof s PRO 102 CO 0.05 -1.13 0.34 0.82 0.04 0.00 0.00 177.00 177.12 1iof h ILE 103 N -0.73 0.94 -3.53 0.56 2.04 -1.87 -3.44 117.51 111.47 1iof h ILE 103 Ca -0.45 -1.83 -0.61 0.00 1.00 0.00 0.00 64.86 62.98 1iof h ILE 103 Cb 1.23 1.90 -0.39 0.00 -0.74 0.00 0.00 36.82 38.82 1iof h ILE 103 CO 0.60 0.32 -0.77 -0.69 0.00 0.00 0.00 178.15 177.61 1iof s VAL 104 N -2.10 1.44 -0.02 1.67 1.01 -1.26 -5.09 120.40 116.05 1iof s VAL 104 Ca -0.16 -1.36 -0.34 0.00 0.00 0.00 0.00 61.98 60.11 1iof s VAL 104 Cb 0.00 -1.84 -0.13 0.00 0.00 0.00 0.00 36.38 34.42 1iof s VAL 104 CO 0.45 -0.28 1.76 -2.65 0.00 0.00 0.00 175.10 174.38 1iof n PRO 105 N 4.67 2.09 -0.77 2.72 -0.02 -1.26 -0.92 135.00 141.50 1iof n PRO 105 Ca -0.08 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1iof n PRO 105 Cb 0.44 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 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 4.03 1.38 3.91 -1.23 0.00 -1.26 -5.01 105.19 107.02 1iof n GLY 106 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.69 3.20 0.82 4.61 0.00 -0.10 -5.01 121.76 121.59 1iof s ALA 107 Ca 0.00 -0.68 -0.15 0.00 0.00 0.00 0.00 51.96 51.13 1iof s ALA 107 Cb 0.00 -2.68 -0.03 0.00 0.00 0.00 0.00 23.12 20.42 1iof s ALA 107 CO 0.00 -0.96 0.34 -2.30 0.00 0.00 0.00 175.76 172.83 1iof n PRO 108 N -2.73 0.05 -0.06 0.00 -0.02 -1.26 -4.90 135.00 126.08 1iof n PRO 108 Ca 0.06 0.06 -0.11 0.00 -2.02 0.00 0.00 63.50 61.48 1iof n PRO 108 Cb 0.58 -1.73 0.02 0.00 -0.02 0.00 0.00 33.50 32.35 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 -0.84 1.29 -3.49 3.45 2.02 -1.95 -3.40 112.91 109.99 1iof h THR 109 Ca -0.44 -1.67 -0.08 0.00 0.77 0.00 0.00 66.41 64.99 1iof h THR 109 Cb 1.32 1.57 -0.15 0.00 -1.74 0.00 0.00 68.15 69.16 1iof h THR 109 CO 0.38 0.54 -0.23 0.00 0.37 0.00 0.00 175.52 176.58 1iof s ALA 110 N -4.20 -0.62 -0.05 6.16 0.00 -1.26 0.34 121.76 122.14 1iof s ALA 110 Ca -0.09 -0.21 0.05 0.00 0.00 0.00 0.00 51.96 51.71 1iof s ALA 110 Cb 0.11 0.50 -0.00 0.00 0.00 0.00 0.00 23.12 23.72 1iof s ALA 110 CO 0.86 -0.52 -0.19 0.71 0.00 0.00 0.00 175.76 176.62 1iof s TYR 111 N -3.38 1.89 0.37 0.00 1.51 -0.66 -4.98 117.35 112.09 1iof s TYR 111 Ca 0.01 -0.56 -0.25 0.00 -1.01 0.00 0.00 57.07 55.26 1iof s TYR 111 Cb 0.02 -1.27 -0.10 0.00 -0.11 0.00 0.00 41.96 40.50 1iof s TYR 111 CO -0.09 -0.19 0.99 -0.06 -1.11 0.00 0.00 175.55 175.09 1iof s PHE 112 N 0.03 3.47 0.50 2.71 2.99 -1.26 -1.22 117.98 125.20 1iof s PHE 112 Ca -0.05 1.70 -0.23 0.00 0.00 0.00 0.00 56.93 58.36 1iof s PHE 112 Cb -0.12 -3.00 -0.06 0.00 0.00 0.00 0.00 43.02 39.83 1iof s PHE 112 CO 0.03 -0.19 1.29 0.45 -0.00 0.00 0.00 175.22 176.80 1iof s SER 113 N -1.66 5.67 0.00 1.36 0.15 0.16 -4.93 113.70 114.46 1iof s SER 113 Ca 0.55 2.61 0.24 0.00 0.70 0.00 0.00 55.95 60.05 1iof s SER 113 Cb -0.19 -2.63 0.26 0.00 -1.71 0.00 0.00 66.02 61.75 1iof s SER 113 CO 0.24 -1.28 1.30 0.35 1.20 0.00 0.00 173.24 175.05 1iof n THR 114 N -0.73 0.07 -1.67 6.45 -2.24 -0.34 -4.95 114.28 110.87 1iof n THR 114 Ca 0.09 -0.53 -0.33 0.00 -2.27 0.00 0.00 64.05 61.01 1iof n THR 114 Cb 0.46 1.38 0.06 0.00 -2.10 0.00 0.00 70.33 70.13 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 -1.93 3.36 -1.27 3.22 1.43 -0.96 -4.60 118.68 117.94 1iof s LEU 115 Ca 0.30 2.08 -0.18 0.00 -1.03 0.00 0.00 54.13 55.30 1iof s LEU 115 Cb 0.20 -4.56 0.01 0.00 0.03 0.00 0.00 46.19 41.87 1iof s LEU 115 CO 0.30 -1.79 1.94 -0.81 0.23 0.00 0.00 176.35 176.21 1iof n PRO 116 N -2.51 2.65 -0.22 1.29 -0.04 -1.26 -4.82 135.00 130.08 1iof n PRO 116 Ca 0.11 -2.78 0.08 0.00 -0.04 0.00 0.00 63.50 60.86 1iof n PRO 116 Cb 0.52 -3.41 0.35 0.00 -0.04 0.00 0.00 33.50 30.92 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 5.07 0.97 0.00 0.52 3.07 -1.92 -0.41 117.51 124.81 1iof h ILE 117 Ca 0.45 -0.26 -0.17 0.00 1.55 0.00 0.00 64.86 66.43 1iof h ILE 117 Cb 0.79 0.15 -0.02 0.00 -0.27 0.00 0.00 36.82 37.46 1iof h ILE 117 CO 1.61 0.14 -0.79 0.11 -1.05 0.00 0.00 178.15 178.17 1iof h LYS 118 N 0.76 0.00 0.01 0.16 1.79 -1.99 -1.61 116.57 115.70 1iof h LYS 118 Ca 0.36 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.56 1iof h LYS 118 Cb 0.38 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.05 1iof h LYS 118 CO -0.13 0.79 -1.06 0.87 -1.08 0.00 0.00 179.45 178.84 1iof h LYS 119 N 0.00 0.68 -0.38 3.15 1.57 -1.55 -1.94 116.57 118.10 1iof h LYS 119 Ca -0.01 -0.75 0.04 0.00 -1.87 0.00 0.00 60.65 58.06 1iof h LYS 119 Cb 1.46 0.22 -0.04 0.00 0.08 0.00 0.00 32.23 33.95 1iof h LYS 119 CO 0.10 1.32 0.15 0.82 -0.57 0.00 0.00 179.45 181.28 1iof h ILE 120 N 0.38 0.92 -0.23 1.86 2.04 -1.11 -1.74 117.51 119.63 1iof h ILE 120 Ca -0.13 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1iof h ILE 120 Cb 1.72 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 1iof h ILE 120 CO 0.21 0.06 0.13 -0.03 0.00 0.00 0.00 178.15 178.52 1iof h MET 121 N 0.32 0.32 -0.38 2.37 4.05 -1.29 -1.20 114.93 119.12 1iof h MET 121 Ca 0.17 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.55 1iof h MET 121 Cb 0.12 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 1iof h MET 121 CO -0.15 0.28 0.22 -0.22 0.23 0.00 0.00 176.91 177.26 1iof h LYS 122 N 0.28 0.52 0.07 0.39 3.11 -0.91 -1.86 116.57 118.16 1iof h LYS 122 Ca 0.08 -0.04 -0.22 0.00 -2.81 0.00 0.00 60.65 57.66 1iof h LYS 122 Cb 0.04 -0.11 0.02 0.00 -1.00 0.00 0.00 32.23 31.18 1iof h LYS 122 CO -0.01 0.38 -0.91 -0.22 -2.81 0.00 0.00 179.45 175.87 1iof h LYS 123 N 0.53 0.50 -0.53 1.90 1.63 -0.89 -1.46 116.57 118.24 1iof h LYS 123 Ca 0.14 -0.63 0.08 0.00 -0.85 0.00 0.00 60.65 59.39 1iof h LYS 123 Cb 0.00 0.20 -0.07 0.00 -0.60 0.00 0.00 32.23 31.77 1iof h LYS 123 CO -0.02 1.25 0.16 -0.07 -3.45 0.00 0.00 179.45 177.32 1iof h LEU 124 N 0.04 0.13 -1.09 5.20 3.38 -1.09 -0.56 115.31 121.32 1iof h LEU 124 Ca -0.13 0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1iof h LEU 124 Cb 1.62 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 42.40 1iof h LEU 124 CO 0.18 0.09 0.62 0.45 0.09 0.00 0.00 178.44 179.87 1iof h HIS 125 N 0.33 1.16 -0.47 1.13 3.86 -1.15 -0.67 115.15 119.34 1iof h HIS 125 Ca 0.27 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.48 1iof h HIS 125 Cb 0.33 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 28.38 1iof h HIS 125 CO -0.19 0.70 0.21 0.93 0.86 0.00 0.00 177.93 180.44 1iof h GLU 126 N 1.23 0.66 -0.11 2.45 5.08 -0.04 -1.48 114.58 122.37 1iof h GLU 126 Ca 0.36 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1iof h GLU 126 Cb -0.07 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.05 1iof h GLU 126 CO -0.09 0.53 0.00 0.54 -1.00 0.00 0.00 179.01 178.98 1iof n ARG 127 N -4.38 1.25 -2.11 2.33 5.12 -0.55 -4.92 116.66 113.41 1iof n ARG 127 Ca 0.04 -0.39 -0.15 0.00 -1.93 0.00 0.00 57.85 55.42 1iof n ARG 127 Cb 0.14 -1.09 -0.02 0.00 -1.16 0.00 0.00 32.46 30.32 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 0.68 0.11 3.54 -0.13 0.00 -0.56 -4.99 105.19 103.85 1iof n GLY 128 Ca 0.04 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.70 5.17 0.19 -0.61 1.01 -0.37 -4.99 121.20 118.90 1iof s ILE 129 Ca 0.00 -0.09 -0.32 0.00 0.00 0.00 0.00 60.65 60.25 1iof s ILE 129 Cb 0.00 -3.56 -0.11 0.00 0.01 0.00 0.00 42.46 38.79 1iof s ILE 129 CO 0.00 0.12 1.67 -2.16 0.00 0.00 0.00 174.94 174.57 1iof s PRO 130 N 1.72 4.16 -0.06 2.79 0.04 -1.26 -3.59 135.00 138.80 1iof s PRO 130 Ca 0.06 2.52 -0.19 0.00 0.04 0.00 0.00 61.00 63.43 1iof s PRO 130 Cb -0.17 -3.14 0.04 0.00 0.04 0.00 0.00 34.50 31.27 1iof s PRO 130 CO 0.10 -0.71 0.44 0.00 0.04 0.00 0.00 177.00 176.87 1iof s ALA 131 N 1.28 -1.11 0.23 8.56 0.00 -1.26 -1.55 121.76 127.90 1iof s ALA 131 Ca 0.73 0.82 -0.08 0.00 0.00 0.00 0.00 51.96 53.43 1iof s ALA 131 Cb -0.47 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 1iof s ALA 131 CO 0.32 -0.28 0.34 1.52 0.00 0.00 0.00 175.76 177.67 1iof s TYR 132 N -0.88 0.67 -0.20 0.00 -0.85 0.75 -4.91 117.35 111.91 1iof s TYR 132 Ca -0.09 -0.97 -0.14 0.00 -0.52 0.00 0.00 57.07 55.34 1iof s TYR 132 Cb -0.03 -0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.16 1iof s TYR 132 CO 0.05 -0.85 0.32 0.42 -1.52 0.00 0.00 175.55 173.96 1iof s ILE 133 N -4.07 5.26 0.05 -3.49 1.01 -1.26 -0.34 121.20 118.36 1iof s ILE 133 Ca 0.29 0.54 0.00 0.00 0.00 0.00 0.00 60.65 61.48 1iof s ILE 133 Cb 0.02 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 1iof s ILE 133 CO 0.10 0.30 0.18 -0.55 0.00 0.00 0.00 174.94 174.97 1iof s SER 134 N 0.92 6.20 0.00 3.58 0.15 -0.01 -4.87 113.70 119.66 1iof s SER 134 Ca 0.16 0.23 0.14 0.00 0.70 0.00 0.00 55.95 57.18 1iof s SER 134 Cb -0.14 -1.88 0.35 0.00 -1.71 0.00 0.00 66.02 62.64 1iof s SER 134 CO 0.06 0.19 1.27 0.59 1.20 0.00 0.00 173.24 176.55 1iof n ASN 135 N 0.45 3.05 -3.75 5.45 5.03 -1.26 -1.37 115.26 122.86 1iof n ASN 135 Ca -0.07 -1.94 -0.12 0.00 0.87 0.00 0.00 54.58 53.32 1iof n ASN 135 Cb 0.51 -0.25 -0.12 0.00 -1.02 0.00 0.00 39.78 38.90 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 -1.03 -0.31 0.00 6.41 0.15 -1.26 -4.68 113.70 112.98 1iof s SER 136 Ca 0.28 0.58 0.19 0.00 0.70 0.00 0.00 55.95 57.70 1iof s SER 136 Cb 0.15 0.53 0.54 0.00 -1.71 0.00 0.00 66.02 65.53 1iof s SER 136 CO 0.20 -0.13 1.45 0.00 1.20 0.00 0.00 173.24 175.96 1iof n ALA 137 N 3.54 2.31 0.00 5.45 0.00 -1.26 -5.01 120.51 125.54 1iof n ALA 137 Ca -0.18 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.00 1iof n ALA 137 Cb 0.56 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.24 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 1.29 -2.05 2.23 0.00 0.00 -1.26 -3.94 105.19 101.46 1iof n GLY 138 Ca 0.20 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 0.71 0.00 0.99 4.77 -1.26 -4.63 117.00 117.58 1iof n LEU 139 Ca 0.00 -2.64 0.00 0.00 -0.03 0.00 0.00 56.01 53.34 1iof n LEU 139 Cb 0.00 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1iof n LEU 139 CO 0.00 1.01 0.00 0.00 -1.33 0.00 0.00 177.39 177.07 1iof n TYR 140 N -0.35 0.00 0.14 -1.77 9.36 -1.26 -0.55 117.16 122.72 1iof n TYR 140 Ca -0.00 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.35 1iof n TYR 140 Cb 0.91 0.00 0.65 0.00 -0.63 0.00 0.00 39.34 40.27 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 0.02 -0.26 2.98 3.38 -1.97 -1.81 115.31 117.65 1iof h LEU 141 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1iof h LEU 141 Cb 0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1iof h LEU 141 CO 0.00 0.01 0.03 0.00 0.09 0.00 0.00 178.44 178.58 1iof h ASN 143 N 0.23 0.60 -0.40 0.00 -1.24 -1.63 -2.35 115.58 110.80 1iof h ASN 143 Ca 0.08 -0.45 0.07 0.00 0.71 0.00 0.00 56.30 56.70 1iof h ASN 143 Cb 0.35 -0.17 -0.09 0.00 0.73 0.00 0.00 38.32 39.14 1iof h ASN 143 CO 0.01 0.93 -0.43 0.22 -1.29 0.00 0.00 177.43 176.87 1iof h TYR 144 N 0.29 -1.24 0.00 0.67 3.20 -1.15 0.13 116.97 118.87 1iof h TYR 144 Ca 0.05 0.07 -0.10 0.00 3.14 0.00 0.00 58.73 61.88 1iof h TYR 144 Cb 0.74 0.60 -0.01 0.00 1.54 0.00 0.00 36.73 39.60 1iof h TYR 144 CO 0.07 -0.44 -0.48 -0.39 -1.64 0.00 0.00 178.16 175.29 1iof h VAL 145 N -0.33 1.04 -0.30 1.81 -1.51 -1.38 -0.85 116.25 114.73 1iof h VAL 145 Ca 0.14 -1.84 -0.05 0.00 -1.23 0.00 0.00 66.70 63.72 1iof h VAL 145 Cb 0.58 2.09 -0.02 0.00 -2.13 0.00 0.00 31.29 31.82 1iof h VAL 145 CO -0.57 0.47 -0.03 -0.03 -1.23 0.00 0.00 177.57 176.17 1iof h MET 146 N 0.00 0.47 0.05 5.19 1.85 -0.79 -1.24 114.93 120.46 1iof h MET 146 Ca -0.00 -0.10 -0.00 0.00 -0.61 0.00 0.00 59.70 58.98 1iof h MET 146 Cb 1.05 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 33.01 1iof h MET 146 CO 0.06 0.52 -0.02 -0.92 -0.40 0.00 0.00 176.91 176.15 1iof h TYR 147 N 0.45 -0.06 -0.97 1.39 3.20 -0.13 -2.88 116.97 117.97 1iof h TYR 147 Ca 0.09 -0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.15 1iof h TYR 147 Cb 0.35 0.02 -0.09 0.00 1.54 0.00 0.00 36.73 38.55 1iof h TYR 147 CO 0.01 0.54 0.61 -0.07 -1.64 0.00 0.00 178.16 177.61 1iof h LEU 148 N -0.91 0.66 -0.09 2.82 3.38 -1.14 0.17 115.31 120.19 1iof h LEU 148 Ca -0.01 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1iof h LEU 148 Cb 0.63 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1iof h LEU 148 CO 0.01 0.26 -0.09 -1.28 0.09 0.00 0.00 178.44 177.43 1iof h SER 149 N 0.65 0.23 1.09 -0.43 0.87 -1.29 -1.36 113.55 113.31 1iof h SER 149 Ca 0.53 -0.49 -0.05 0.00 -1.23 0.00 0.00 61.79 60.55 1iof h SER 149 Cb 0.96 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.85 1iof h SER 149 CO -0.29 0.67 -0.23 -0.07 -0.53 0.00 0.00 176.83 176.38 1iof h LEU 150 N -0.21 0.00 0.07 2.23 3.38 -1.17 -1.25 115.31 118.36 1iof h LEU 150 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1iof h LEU 150 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1iof h LEU 150 CO 0.02 0.23 -0.03 -0.74 0.09 0.00 0.00 178.44 178.01 1iof h HIS 151 N 0.00 -0.08 -1.00 1.13 2.76 -0.62 -1.65 115.15 115.69 1iof h HIS 151 Ca -0.00 -0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.31 1iof h HIS 151 Cb 0.84 0.03 -0.09 0.00 1.55 0.00 0.00 27.41 29.73 1iof h HIS 151 CO 0.00 0.28 0.61 1.25 -1.30 0.00 0.00 177.93 178.77 1iof h HIS 152 N -0.46 1.10 -0.48 5.26 6.17 -0.99 -0.29 115.15 125.47 1iof h HIS 152 Ca -0.01 0.03 -0.04 0.00 0.71 0.00 0.00 60.37 61.07 1iof h HIS 152 Cb 0.40 -0.34 -0.02 0.00 2.52 0.00 0.00 27.41 29.97 1iof h HIS 152 CO 0.05 0.36 0.15 1.03 0.71 0.00 0.00 177.93 180.23 1iof h SER 153 N 0.89 0.70 -0.11 3.26 0.87 -1.04 -0.31 113.55 117.82 1iof h SER 153 Ca 0.53 -0.20 -0.13 0.00 -1.23 0.00 0.00 61.79 60.75 1iof h SER 153 Cb 0.65 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1iof h SER 153 CO -0.31 0.72 -0.37 0.00 -0.53 0.00 0.00 176.83 176.33 1iof h ALA 154 N 1.01 0.83 0.05 6.23 0.00 -0.21 -1.80 119.26 125.38 1iof h ALA 154 Ca 0.16 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1iof h ALA 154 Cb 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1iof h ALA 154 CO -0.01 0.64 -0.02 1.15 0.00 0.00 0.00 179.25 181.01 1iof h THR 155 N 0.52 0.13 -0.01 0.00 2.02 -1.07 -3.40 112.91 111.11 1iof h THR 155 Ca 0.05 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 66.19 1iof h THR 155 Cb 0.88 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1iof h THR 155 CO 0.08 0.04 -0.28 0.29 0.37 0.00 0.00 175.52 176.02 1iof n LYS 156 N -4.81 1.06 0.00 6.66 4.76 -0.13 -4.97 118.16 120.73 1iof n LYS 156 Ca -0.02 -0.71 0.00 0.00 -2.87 0.00 0.00 58.31 54.71 1iof n LYS 156 Cb 0.06 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 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 1.34 3.05 3.12 0.72 0.00 -0.68 -5.00 105.19 107.75 1iof n GLY 157 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.90 0.82 0.77 1.61 -0.85 -1.26 -4.38 117.35 112.17 1iof s TYR 158 Ca 0.00 -0.67 -0.13 0.00 -0.52 0.00 0.00 57.07 55.74 1iof s TYR 158 Cb 0.00 -0.47 0.06 0.00 0.38 0.00 0.00 41.96 41.93 1iof s TYR 158 CO 0.00 -0.09 1.18 -1.25 -1.52 0.00 0.00 175.55 173.86 1iof s PRO 159 N -2.58 1.94 0.18 -3.49 0.04 -1.26 -3.71 135.00 126.13 1iof s PRO 159 Ca 0.00 1.64 0.10 0.00 0.04 0.00 0.00 61.00 62.78 1iof s PRO 159 Cb -0.03 -1.82 -0.10 0.00 0.04 0.00 0.00 34.50 32.58 1iof s PRO 159 CO -0.02 -1.96 1.34 0.87 0.04 0.00 0.00 177.00 177.28 1iof h LYS 160 N -0.70 0.00 -5.49 4.56 1.57 -0.99 -3.42 116.57 112.11 1iof h LYS 160 Ca -0.46 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.75 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 0.48 0.82 -0.84 -1.64 -0.57 0.00 0.00 179.45 177.70 1iof s MET 161 N -2.81 1.71 0.04 3.15 -1.94 -0.89 -4.97 119.30 113.58 1iof s MET 161 Ca 0.02 -0.64 -0.08 0.00 -1.71 0.00 0.00 55.69 53.29 1iof s MET 161 Cb 0.09 -1.53 -0.00 0.00 2.01 0.00 0.00 34.83 35.40 1iof s MET 161 CO 0.79 0.30 0.15 0.45 -0.01 0.00 0.00 175.02 176.71 1iof s SER 162 N -0.13 0.10 0.00 3.03 0.15 -1.26 -1.57 113.70 114.02 1iof s SER 162 Ca -0.00 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.19 1iof s SER 162 Cb -0.10 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1iof s SER 162 CO 0.01 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.51 1iof n GLY 163 N 0.66 0.61 2.99 9.45 0.00 -1.21 -1.20 105.19 116.49 1iof n GLY 163 Ca -0.19 -0.88 -0.17 0.00 0.00 0.00 0.00 46.02 44.78 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 0.66 -0.08 1.61 2.19 -1.26 -0.84 117.98 118.26 1iof s PHE 164 Ca 0.00 -0.13 0.02 0.00 0.33 0.00 0.00 56.93 57.16 1iof s PHE 164 Cb 0.00 -0.43 0.01 0.00 -1.31 0.00 0.00 43.02 41.29 1iof s PHE 164 CO 0.00 -0.01 -0.15 0.42 1.83 0.00 0.00 175.22 177.31 1iof s ILE 165 N -0.16 1.39 -0.07 3.12 1.01 0.32 -1.79 121.20 125.02 1iof s ILE 165 Ca 0.03 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 60.06 1iof s ILE 165 Cb -0.03 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.16 1iof s ILE 165 CO -0.00 0.41 -0.02 -1.00 0.00 0.00 0.00 174.94 174.33 1iof s HIS 166 N 0.71 3.09 0.09 3.97 3.76 -0.14 -0.71 115.29 126.06 1iof s HIS 166 Ca -0.13 0.14 0.10 0.00 -0.15 0.00 0.00 55.06 55.01 1iof s HIS 166 Cb -0.16 -1.75 -0.04 0.00 1.11 0.00 0.00 32.58 31.74 1iof s HIS 166 CO 0.03 0.43 -0.24 0.14 -0.85 0.00 0.00 174.74 174.25 1iof s VAL 167 N -0.89 2.40 1.35 -0.90 -7.23 0.78 -1.66 120.40 114.25 1iof s VAL 167 Ca 0.14 -1.52 -0.19 0.00 -1.81 0.00 0.00 61.98 58.60 1iof s VAL 167 Cb -0.11 -2.02 0.35 0.00 0.56 0.00 0.00 36.38 35.15 1iof s VAL 167 CO 0.03 0.22 0.95 -2.84 -0.31 0.00 0.00 175.10 173.15 1iof s PRO 168 N -1.72 -2.40 0.74 4.82 0.02 -1.26 -0.70 135.00 134.50 1iof s PRO 168 Ca 0.14 0.43 -0.14 0.00 0.02 0.00 0.00 61.00 61.45 1iof s PRO 168 Cb -0.10 -1.41 0.05 0.00 0.02 0.00 0.00 34.50 33.05 1iof s PRO 168 CO 0.05 -4.60 1.16 0.71 -0.33 0.00 0.00 177.00 173.99 1iof s TYR 169 N -2.27 2.19 0.25 6.54 2.02 -1.26 -4.70 117.35 120.12 1iof s TYR 169 Ca 0.69 1.61 -0.03 0.00 -0.37 0.00 0.00 57.07 58.96 1iof s TYR 169 Cb -0.19 -3.33 -0.05 0.00 -0.40 0.00 0.00 41.96 38.00 1iof s TYR 169 CO 0.61 -2.31 0.49 0.96 -1.57 0.00 0.00 175.55 173.72 1iof s ILE 170 N -2.28 5.09 0.26 2.71 -4.36 -1.26 -0.38 121.20 120.99 1iof s ILE 170 Ca 0.70 -0.09 -0.03 0.00 -0.26 0.00 0.00 60.65 60.97 1iof s ILE 170 Cb -0.25 -3.72 0.27 0.00 1.25 0.00 0.00 42.46 40.01 1iof s ILE 170 CO 0.47 -0.24 1.66 -0.65 0.24 0.00 0.00 174.94 176.42 1iof h PRO 171 N 1.87 0.21 0.00 0.37 0.11 -1.92 0.38 132.00 133.02 1iof h PRO 171 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1iof h PRO 171 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1iof h PRO 171 CO 0.67 0.14 0.09 1.05 -0.21 0.00 0.00 178.00 179.74 1iof h GLU 172 N 0.21 0.00 0.00 1.05 4.11 -1.95 0.28 114.58 118.29 1iof h GLU 172 Ca 0.46 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.72 1iof h GLU 172 Cb 0.83 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 1iof h GLU 172 CO -0.59 0.00 -0.95 1.96 0.07 0.00 0.00 179.01 179.50 1iof h GLN 173 N 0.00 0.00 0.00 1.06 4.20 -1.30 -3.35 115.11 115.72 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 0.19 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1iof h GLN 173 CO 0.00 0.60 -0.25 0.82 -0.67 0.00 0.00 178.83 179.33 1iof h ILE 174 N 0.00 0.74 0.00 2.54 1.08 -1.00 -3.33 117.51 117.53 1iof h ILE 174 Ca -0.07 -1.04 0.00 0.00 -0.39 0.00 0.00 64.86 63.36 1iof h ILE 174 Cb 1.60 1.65 0.00 0.00 -3.07 0.00 0.00 36.82 37.00 1iof h ILE 174 CO 0.08 0.24 0.00 0.16 -0.69 0.00 0.00 178.15 177.94 1iof h ILE 175 N 0.00 0.00 -0.01 -0.67 -0.00 -1.69 -0.96 117.51 114.19 1iof h ILE 175 Ca -0.00 -0.70 0.00 0.00 -0.00 0.00 0.00 64.86 64.16 1iof h ILE 175 Cb 0.63 1.68 0.00 0.00 -0.00 0.00 0.00 36.82 39.13 1iof h ILE 175 CO 0.03 0.00 -0.32 -0.90 -0.00 0.00 0.00 178.15 176.96 1iof n ASP 176 N -2.98 1.15 0.07 2.16 5.68 -1.25 -3.28 116.55 118.10 1iof n ASP 176 Ca 0.02 -0.95 -0.09 0.00 -0.50 0.00 0.00 54.79 53.27 1iof n ASP 176 Cb 0.40 0.21 -0.13 0.00 -1.14 0.00 0.00 41.12 40.47 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 1.31 0.07 -0.89 0.11 1.79 -1.37 -3.19 116.57 114.40 1iof h LYS 177 Ca 0.00 -0.12 0.13 0.00 -2.18 0.00 0.00 60.65 58.48 1iof h LYS 177 Cb 0.55 0.04 -0.09 0.00 -1.58 0.00 0.00 32.23 31.15 1iof h LYS 177 CO 0.00 1.05 0.51 0.82 -1.08 0.00 0.00 179.45 180.75 1iof h ILE 178 N 0.02 0.83 -0.63 1.86 2.04 -0.87 -0.05 117.51 120.70 1iof h ILE 178 Ca -0.05 -0.27 0.12 0.00 1.00 0.00 0.00 64.86 65.67 1iof h ILE 178 Cb 1.82 -0.01 -0.09 0.00 -0.74 0.00 0.00 36.82 37.80 1iof h ILE 178 CO 0.15 0.14 0.12 1.23 0.00 0.00 0.00 178.15 179.79 1iof h GLY 179 N 0.78 0.81 -2.37 5.37 0.00 -1.68 -1.40 103.07 104.58 1iof h GLY 179 Ca 0.46 -0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.69 1iof h GLY 179 CO -0.30 -0.14 0.11 0.28 0.00 0.00 0.00 176.54 176.49 1iof n LYS 180 N -5.15 1.20 -2.53 4.80 4.76 -0.15 -4.74 118.16 116.36 1iof n LYS 180 Ca 0.10 -0.48 -0.19 0.00 -2.87 0.00 0.00 58.31 54.87 1iof n LYS 180 Cb 0.35 -1.19 0.00 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 0.29 -0.38 3.05 0.72 0.00 -0.53 -5.01 105.19 103.33 1iof n GLY 181 Ca 0.10 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -5.11 0.23 -0.57 1.61 -0.44 -0.51 -5.00 119.66 109.86 1iof s GLN 182 Ca 0.08 0.17 0.04 0.00 -2.50 0.00 0.00 55.36 53.16 1iof s GLN 182 Cb -0.04 0.11 0.15 0.00 -1.64 0.00 0.00 33.01 31.59 1iof s GLN 182 CO 0.10 -0.03 0.37 0.54 0.50 0.00 0.00 175.29 176.77 1iof s VAL 183 N -0.06 2.15 0.68 1.34 0.11 -1.26 -1.31 120.40 122.05 1iof s VAL 183 Ca -0.01 -3.48 -0.16 0.00 -2.93 0.00 0.00 61.98 55.40 1iof s VAL 183 Cb -0.02 -2.45 0.01 0.00 -1.53 0.00 0.00 36.38 32.39 1iof s VAL 183 CO 0.00 -0.97 1.17 -2.16 -3.33 0.00 0.00 175.10 169.82 1iof s PRO 184 N -0.61 2.55 0.98 1.54 0.04 -1.26 -5.03 135.00 133.21 1iof s PRO 184 Ca 0.23 1.64 -0.11 0.00 0.04 0.00 0.00 61.00 62.80 1iof s PRO 184 Cb -0.12 -1.90 0.16 0.00 0.04 0.00 0.00 34.50 32.69 1iof s PRO 184 CO -0.10 -1.50 1.03 -2.30 0.04 0.00 0.00 177.00 174.18 1iof n PRO 185 N -2.37 -0.85 -3.90 0.56 -0.02 -1.26 -4.95 135.00 122.21 1iof n PRO 185 Ca 0.12 -0.19 -0.09 0.00 -2.02 0.00 0.00 63.50 61.32 1iof n PRO 185 Cb 0.51 -2.28 -0.05 0.00 -0.02 0.00 0.00 33.50 31.66 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 -2.52 -0.11 0.01 2.55 1.04 -1.26 -4.21 113.70 109.20 1iof s SER 186 Ca 0.66 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1iof s SER 186 Cb -0.23 0.54 -0.01 0.00 0.10 0.00 0.00 66.02 66.42 1iof s SER 186 CO 0.60 -1.03 -0.02 -0.32 0.98 0.00 0.00 173.24 173.45 1iof s MET 187 N -3.95 0.16 0.30 4.02 1.75 0.49 -4.91 119.30 117.16 1iof s MET 187 Ca 0.16 -0.22 -0.28 0.00 -1.25 0.00 0.00 55.69 54.10 1iof s MET 187 Cb 0.00 -0.04 -0.09 0.00 2.84 0.00 0.00 34.83 37.54 1iof s MET 187 CO 0.02 0.00 0.99 0.00 -0.65 0.00 0.00 175.02 175.38 1iof h TYR 189 N 3.53 0.22 -0.10 0.00 3.20 -1.97 0.15 116.97 122.00 1iof h TYR 189 Ca -0.46 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.44 1iof h TYR 189 Cb 1.20 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.52 1iof h TYR 189 CO 0.60 -0.37 -0.06 0.93 -1.64 0.00 0.00 178.16 177.62 1iof h GLU 190 N 0.07 0.14 0.02 1.82 3.07 -1.99 -0.07 114.58 117.65 1iof h GLU 190 Ca 0.62 -0.02 -0.21 0.00 -0.50 0.00 0.00 59.36 59.25 1iof h GLU 190 Cb 1.35 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 29.22 1iof h GLU 190 CO -0.81 0.22 -0.95 1.98 -1.40 0.00 0.00 179.01 178.05 1iof h MET 191 N 0.14 0.13 0.27 2.33 4.05 -1.08 -1.78 114.93 118.99 1iof h MET 191 Ca 0.03 -0.16 -0.01 0.00 -0.28 0.00 0.00 59.70 59.28 1iof h MET 191 Cb 0.20 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.06 1iof h MET 191 CO 0.01 0.98 -0.13 0.93 0.23 0.00 0.00 176.91 178.93 1iof h GLU 192 N 0.06 -0.36 -0.50 0.39 5.08 -0.83 -0.88 114.58 117.55 1iof h GLU 192 Ca -0.04 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1iof h GLU 192 Cb 1.62 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.91 1iof h GLU 192 CO 0.14 -0.05 0.25 1.25 -1.00 0.00 0.00 179.01 179.60 1iof h LEU 193 N -0.67 0.37 -1.50 1.33 5.85 -1.12 -1.83 115.31 117.74 1iof h LEU 193 Ca -0.04 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.75 1iof h LEU 193 Cb 0.47 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1iof h LEU 193 CO 0.06 0.26 0.38 -0.08 -0.34 0.00 0.00 178.44 178.73 1iof h GLU 194 N 0.50 0.62 -0.21 1.25 4.57 -1.21 -1.10 114.58 118.99 1iof h GLU 194 Ca 0.22 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.32 1iof h GLU 194 Cb 0.12 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 1iof h GLU 194 CO -0.15 0.41 -0.01 0.00 -1.18 0.00 0.00 179.01 178.08 1iof h ALA 195 N 1.67 0.29 0.00 2.92 0.00 -0.36 -0.17 119.26 123.60 1iof h ALA 195 Ca 0.24 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1iof h ALA 195 Cb 0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1iof h ALA 195 CO -0.07 0.03 -0.09 -0.24 0.00 0.00 0.00 179.25 178.87 1iof h VAL 196 N 0.14 0.19 -0.34 0.00 3.04 -0.82 -1.99 116.25 116.48 1iof h VAL 196 Ca 0.06 -0.99 -0.09 0.00 -1.01 0.00 0.00 66.70 64.67 1iof h VAL 196 Cb 0.42 1.84 -0.01 0.00 -2.01 0.00 0.00 31.29 31.54 1iof h VAL 196 CO 0.01 0.09 -0.14 0.11 -1.01 0.00 0.00 177.57 176.64 1iof h LYS 197 N 0.00 0.69 0.00 4.17 1.57 -0.91 -2.17 116.57 119.92 1iof h LYS 197 Ca -0.00 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 1iof h LYS 197 Cb 0.83 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.12 1iof h LYS 197 CO 0.01 0.89 -0.03 0.28 -0.57 0.00 0.00 179.45 180.03 1iof h VAL 198 N 0.47 0.98 0.03 0.50 2.07 -0.75 -1.04 116.25 118.51 1iof h VAL 198 Ca 0.08 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1iof h VAL 198 Cb 0.67 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1iof h VAL 198 CO 0.04 0.03 -0.02 0.00 0.02 0.00 0.00 177.57 177.65 1iof h ALA 199 N 1.97 -0.04 -0.48 1.67 0.00 -0.98 -1.24 119.26 120.15 1iof h ALA 199 Ca -0.00 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.77 1iof h ALA 199 Cb 0.05 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1iof h ALA 199 CO 0.00 -0.32 0.14 0.82 0.00 0.00 0.00 179.25 179.90 1iof h ILE 200 N -0.46 0.79 -0.48 0.00 2.04 -1.06 0.25 117.51 118.60 1iof h ILE 200 Ca -0.00 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1iof h ILE 200 Cb 0.43 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1iof h ILE 200 CO 0.01 0.05 0.23 -0.33 0.00 0.00 0.00 178.15 178.11 1iof h GLU 201 N 0.30 0.68 0.00 2.37 5.08 -1.13 0.36 114.58 122.24 1iof h GLU 201 Ca 0.23 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1iof h GLU 201 Cb 0.27 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1iof h GLU 201 CO -0.27 0.57 -0.27 -0.39 -1.00 0.00 0.00 179.01 177.66 1iof h VAL 202 N 0.63 0.00 -0.06 3.13 -1.51 -0.55 -2.34 116.25 115.55 1iof h VAL 202 Ca 0.16 -0.90 -0.01 0.00 -1.23 0.00 0.00 66.70 64.72 1iof h VAL 202 Cb 0.11 1.76 -0.00 0.00 -2.13 0.00 0.00 31.29 31.03 1iof h VAL 202 CO -0.02 0.00 -0.01 0.00 -1.23 0.00 0.00 177.57 176.31 1iof h ALA 203 N 2.10 0.09 -0.80 5.19 0.00 -0.74 -2.77 119.26 122.32 1iof h ALA 203 Ca 0.00 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.81 1iof h ALA 203 Cb 0.95 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 1iof h ALA 203 CO 0.00 -0.23 0.46 -0.07 0.00 0.00 0.00 179.25 179.42 1iof h LEU 204 N -0.19 0.68 -0.61 0.00 3.38 -0.80 -0.15 115.31 117.61 1iof h LEU 204 Ca 0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1iof h LEU 204 Cb 0.36 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1iof h LEU 204 CO 0.00 0.41 0.00 1.21 0.09 0.00 0.00 178.44 180.15 1iof n GLU 205 N -4.73 0.12 -0.09 1.13 2.13 -0.89 -2.70 120.64 115.60 1iof n GLU 205 Ca 0.12 0.44 -0.19 0.00 0.66 0.00 0.00 57.16 58.19 1iof n GLU 205 Cb 0.24 -1.76 -0.13 0.00 0.27 0.00 0.00 31.44 30.06 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 -1.99 0.68 -1.25 5.31 4.07 -0.18 -4.62 120.64 122.66 1iof n GLU 206 Ca 0.01 0.18 -0.36 0.00 -0.06 0.00 0.00 57.16 56.94 1iof n GLU 206 Cb 0.15 -1.57 -0.02 0.00 -0.06 0.00 0.00 31.44 29.93 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 -3.33 7.33 0.00 4.31 -0.00 -0.53 -5.12 117.00 119.66 1iof n LEU 207 Ca -0.42 -3.92 0.00 0.00 -0.00 0.00 0.00 56.01 51.67 1iof n LEU 207 Cb 1.01 -1.45 0.00 0.00 -0.00 0.00 0.00 43.42 42.98 1iof n LEU 207 CO 0.31 1.44 0.00 0.18 -0.00 0.00 0.00 177.39 179.32