#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jof s LEU 2 N 0.00 4.34 0.17 2.45 1.43 -1.26 -2.16 118.68 123.65 1jof s LEU 2 Ca 0.00 0.53 0.04 0.00 -1.03 0.00 0.00 54.13 53.67 1jof s LEU 2 Cb 0.00 -2.89 -0.05 0.00 0.03 0.00 0.00 46.19 43.29 1jof s LEU 2 CO 0.00 0.19 -0.08 -1.00 0.23 0.00 0.00 176.35 175.69 1jof s HIS 3 N -1.43 1.34 -0.00 0.29 3.76 0.06 -4.97 115.29 114.33 1jof s HIS 3 Ca 0.32 -0.80 0.01 0.00 -0.15 0.00 0.00 55.06 54.45 1jof s HIS 3 Cb -0.13 -0.71 -0.00 0.00 1.11 0.00 0.00 32.58 32.85 1jof s HIS 3 CO 0.20 0.05 -0.05 -1.01 -0.85 0.00 0.00 174.74 173.08 1jof s HIS 4 N -3.35 0.42 0.00 1.40 3.76 -0.97 -0.63 115.29 115.92 1jof s HIS 4 Ca 0.20 -0.09 0.00 0.00 -0.15 0.00 0.00 55.06 55.02 1jof s HIS 4 Cb 0.03 -0.27 0.00 0.00 1.11 0.00 0.00 32.58 33.45 1jof s HIS 4 CO 0.03 -0.01 0.00 1.28 -0.85 0.00 0.00 174.74 175.19 1jof n LEU 5 N 2.94 0.00 0.00 0.89 4.32 0.06 -1.51 117.00 123.70 1jof n LEU 5 Ca -0.13 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.86 1jof n LEU 5 Cb 0.58 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.38 1jof n LEU 5 CO 0.25 0.00 0.00 -0.38 -1.22 0.00 0.00 177.39 176.04 1jof n ILE 7 N 0.00 0.00 -3.02 -0.08 -0.00 -0.42 -0.39 119.36 115.45 1jof n ILE 7 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1jof n ILE 7 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 1jof n ILE 7 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1jof n GLY 8 N -0.30 4.10 3.10 7.39 0.00 -1.23 -1.48 105.19 116.77 1jof n GLY 8 Ca 0.00 -2.10 -0.07 0.00 0.00 0.00 0.00 46.02 43.84 1jof n GLY 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jof s THR 9 N 0.72 0.26 -0.77 2.61 -4.23 -0.14 -3.32 115.64 110.78 1jof s THR 9 Ca 0.00 -1.82 0.25 0.00 -1.18 0.00 0.00 61.69 58.93 1jof s THR 9 Cb 0.00 -1.54 0.05 0.00 1.34 0.00 0.00 72.50 72.35 1jof s THR 9 CO 0.00 -0.98 1.39 1.87 -0.54 0.00 0.00 174.62 176.35 1jof n TRP 10 N 0.09 0.37 -4.09 3.99 -0.00 0.03 -2.97 117.44 114.87 1jof n TRP 10 Ca -0.14 0.11 -0.10 0.00 -0.00 0.00 0.00 57.50 57.37 1jof n TRP 10 Cb 0.61 -0.53 -0.11 0.00 -0.00 0.00 0.00 31.31 31.28 1jof n TRP 10 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 1jof s THR 11 N -3.11 0.44 0.75 5.87 2.01 -1.26 -4.98 115.64 115.36 1jof s THR 11 Ca 0.08 -1.48 -0.11 0.00 0.31 0.00 0.00 61.69 60.49 1jof s THR 11 Cb 0.15 -1.09 0.05 0.00 0.01 0.00 0.00 72.50 71.62 1jof s THR 11 CO 0.70 -0.70 1.09 -2.84 -0.69 0.00 0.00 174.62 172.19 1jof s PRO 12 N -2.79 2.37 0.22 4.92 0.02 -1.26 -4.44 135.00 134.04 1jof s PRO 12 Ca -0.00 1.20 -0.30 0.00 0.02 0.00 0.00 61.00 61.92 1jof s PRO 12 Cb -0.01 -1.91 -0.08 0.00 0.02 0.00 0.00 34.50 32.52 1jof s PRO 12 CO -0.04 -1.56 1.03 -1.25 -0.33 0.00 0.00 177.00 174.85 1jof s PRO 13 N -4.76 4.71 0.45 5.54 0.04 -1.26 -4.81 135.00 134.91 1jof s PRO 13 Ca 0.62 1.64 -0.24 0.00 0.04 0.00 0.00 61.00 63.05 1jof s PRO 13 Cb -0.18 -3.26 -0.08 0.00 0.04 0.00 0.00 34.50 31.03 1jof s PRO 13 CO 0.53 0.29 1.30 0.20 0.04 0.00 0.00 177.00 179.36 1jof s GLY 14 N -0.70 2.89 -0.18 0.56 0.00 -0.28 -4.89 107.32 104.71 1jof s GLY 14 Ca 0.45 1.22 -0.30 0.00 0.00 0.00 0.00 44.72 46.09 1jof s GLY 14 CO 0.35 1.77 1.06 0.00 0.00 0.00 0.00 173.10 176.28 1jof s ALA 15 N -1.32 -1.96 -0.20 3.20 0.00 -1.26 -3.30 121.76 116.92 1jof s ALA 15 Ca 0.62 1.64 -0.04 0.00 0.00 0.00 0.00 51.96 54.18 1jof s ALA 15 Cb -0.37 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 1jof s ALA 15 CO 0.47 -0.30 -0.03 0.42 0.00 0.00 0.00 175.76 176.32 1jof s ILE 16 N -1.07 3.61 -0.14 0.00 1.01 -0.34 -4.45 121.20 119.82 1jof s ILE 16 Ca -0.00 -0.43 -0.07 0.00 0.00 0.00 0.00 60.65 60.15 1jof s ILE 16 Cb -0.01 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 1jof s ILE 16 CO 0.00 0.44 0.11 -0.36 0.00 0.00 0.00 174.94 175.13 1jof s PHE 17 N 1.11 3.47 -0.28 3.97 0.40 -0.55 -1.02 117.98 125.08 1jof s PHE 17 Ca 0.02 0.40 -0.05 0.00 -0.60 0.00 0.00 56.93 56.70 1jof s PHE 17 Cb -0.15 -1.97 0.01 0.00 0.51 0.00 0.00 43.02 41.42 1jof s PHE 17 CO 0.00 0.56 0.04 0.99 0.70 0.00 0.00 175.22 177.52 1jof s THR 18 N -0.62 3.68 -0.06 0.64 2.01 0.22 -1.30 115.64 120.21 1jof s THR 18 Ca 0.12 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.33 1jof s THR 18 Cb -0.12 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 1jof s THR 18 CO 0.02 0.11 0.03 -0.69 -0.69 0.00 0.00 174.62 173.41 1jof s VAL 19 N 1.45 4.52 -0.14 3.82 1.01 0.48 -0.92 120.40 130.63 1jof s VAL 19 Ca 0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 1jof s VAL 19 Cb -0.17 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 1jof s VAL 19 CO 0.01 0.53 -0.05 -1.58 0.00 0.00 0.00 175.10 174.01 1jof s GLN 20 N -1.14 3.49 -0.16 2.72 0.74 0.95 -0.76 119.66 125.49 1jof s GLN 20 Ca 0.16 -0.54 0.01 0.00 0.05 0.00 0.00 55.36 55.03 1jof s GLN 20 Cb -0.12 -2.83 0.01 0.00 1.10 0.00 0.00 33.01 31.17 1jof s GLN 20 CO 0.06 0.31 -0.17 0.12 -0.55 0.00 0.00 175.29 175.06 1jof s PHE 21 N 0.15 2.77 -0.41 1.67 5.36 0.19 -1.93 117.98 125.79 1jof s PHE 21 Ca -0.02 -1.24 -0.16 0.00 -0.96 0.00 0.00 56.93 54.55 1jof s PHE 21 Cb -0.14 -1.90 0.02 0.00 -0.34 0.00 0.00 43.02 40.66 1jof s PHE 21 CO 0.03 -0.59 0.37 0.34 -1.46 0.00 0.00 175.22 173.91 1jof s ASP 22 N 0.99 6.15 0.00 6.13 -1.08 -0.68 -0.76 116.67 127.42 1jof s ASP 22 Ca -0.02 -0.72 0.15 0.00 -0.52 0.00 0.00 52.55 51.44 1jof s ASP 22 Cb -0.15 -2.19 0.90 0.00 -1.46 0.00 0.00 42.92 40.02 1jof s ASP 22 CO -0.04 -0.49 1.51 -0.90 0.52 0.00 0.00 175.17 175.77 1jof n ASP 23 N 5.38 0.00 -0.09 -0.34 5.68 -0.92 0.05 116.55 126.31 1jof n ASP 23 Ca -0.09 -1.35 -0.18 0.00 -0.50 0.00 0.00 54.79 52.67 1jof n ASP 23 Cb 0.47 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.38 1jof n ASP 23 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1jof n GLU 24 N -0.76 0.42 0.12 0.11 1.02 -1.26 -4.48 120.64 115.81 1jof n GLU 24 Ca 0.11 0.15 0.12 0.00 -0.02 0.00 0.00 57.16 57.53 1jof n GLU 24 Cb 0.05 -1.24 0.16 0.00 -0.02 0.00 0.00 31.44 30.39 1jof n GLU 24 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1jof h LYS 25 N -0.46 0.00 -5.48 3.49 1.57 -1.94 -3.48 116.57 110.27 1jof h LYS 25 Ca -0.46 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.06 1jof h LYS 25 Cb 1.50 0.00 0.20 0.00 0.08 0.00 0.00 32.23 34.00 1jof h LYS 25 CO -0.22 0.00 -0.86 1.28 -0.57 0.00 0.00 179.45 179.08 1jof n LEU 26 N -2.54 -5.51 -4.28 2.94 4.77 0.11 -5.05 117.00 107.45 1jof n LEU 26 Ca 0.03 -0.72 -0.15 0.00 -0.03 0.00 0.00 56.01 55.14 1jof n LEU 26 Cb 0.49 -3.19 -0.10 0.00 -2.33 0.00 0.00 43.42 38.29 1jof n LEU 26 CO 0.36 0.12 -0.34 0.42 -1.33 0.00 0.00 177.39 176.62 1jof s THR 27 N -3.39 0.89 -0.04 -5.08 -4.23 -1.14 -4.50 115.64 98.15 1jof s THR 27 Ca 0.44 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 58.97 1jof s THR 27 Cb -0.06 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.61 1jof s THR 27 CO 0.74 -0.46 -0.13 0.00 -0.54 0.00 0.00 174.62 174.24 1jof s LYS 29 N 0.20 0.19 -0.10 0.00 3.01 -0.81 -4.78 119.74 117.45 1jof s LYS 29 Ca -0.05 0.10 -0.25 0.00 -1.01 0.00 0.00 55.97 54.77 1jof s LYS 29 Cb -0.11 0.09 -0.03 0.00 -1.01 0.00 0.00 37.83 36.77 1jof s LYS 29 CO 0.01 -0.03 0.77 -1.17 0.51 0.00 0.00 175.35 175.45 1jof s LEU 30 N -0.12 4.27 0.00 3.17 2.96 -1.26 -0.04 118.68 127.67 1jof s LEU 30 Ca -0.02 1.22 0.04 0.00 -0.22 0.00 0.00 54.13 55.16 1jof s LEU 30 Cb -0.02 -3.18 0.01 0.00 0.50 0.00 0.00 46.19 43.50 1jof s LEU 30 CO 0.00 -0.23 0.48 2.30 -1.32 0.00 0.00 176.35 177.58 1jof n ILE 31 N 4.15 0.00 -3.64 6.68 -5.35 -0.10 -4.93 119.36 116.17 1jof n ILE 31 Ca 0.01 -0.47 -0.04 0.00 -0.27 0.00 0.00 62.75 61.99 1jof n ILE 31 Cb 0.50 1.06 -0.07 0.00 -1.74 0.00 0.00 39.64 39.40 1jof n ILE 31 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1jof s LYS 32 N -0.72 0.42 -0.35 6.28 2.47 -1.14 -4.98 119.74 121.73 1jof s LYS 32 Ca 0.04 0.67 0.01 0.00 -1.56 0.00 0.00 55.97 55.13 1jof s LYS 32 Cb 0.03 0.11 0.09 0.00 -1.46 0.00 0.00 37.83 36.61 1jof s LYS 32 CO 0.09 -0.08 0.07 0.50 0.16 0.00 0.00 175.35 176.10 1jof s ARG 33 N 1.15 1.83 -0.32 4.03 3.52 -1.26 -0.61 118.95 127.29 1jof s ARG 33 Ca -0.07 -1.73 -0.20 0.00 -0.13 0.00 0.00 55.73 53.60 1jof s ARG 33 Cb -0.04 -3.28 -0.01 0.00 -1.56 0.00 0.00 34.95 30.06 1jof s ARG 33 CO -0.14 -0.90 0.61 0.99 -0.81 0.00 0.00 175.30 175.05 1jof s THR 34 N 1.03 4.94 0.37 4.11 2.01 -0.19 -4.94 115.64 122.98 1jof s THR 34 Ca 0.06 0.75 -0.27 0.00 0.31 0.00 0.00 61.69 62.54 1jof s THR 34 Cb -0.20 -4.00 -0.09 0.00 0.01 0.00 0.00 72.50 68.21 1jof s THR 34 CO -0.06 -0.18 1.27 -0.70 -0.69 0.00 0.00 174.62 174.27 1jof s GLU 35 N 2.60 4.19 0.17 4.92 2.12 -1.26 -1.19 118.70 130.24 1jof s GLU 35 Ca 0.24 2.11 -0.02 0.00 0.36 0.00 0.00 54.97 57.66 1jof s GLU 35 Cb -0.15 -2.90 -0.04 0.00 0.26 0.00 0.00 34.13 31.30 1jof s GLU 35 CO 0.12 -0.29 0.12 0.96 -0.54 0.00 0.00 175.26 175.63 1jof s ILE 36 N -1.23 0.04 -0.34 -3.70 -4.36 -1.21 -4.90 121.20 105.51 1jof s ILE 36 Ca 0.53 -1.93 -0.30 0.00 -0.26 0.00 0.00 60.65 58.69 1jof s ILE 36 Cb -0.37 -2.29 -0.13 0.00 1.25 0.00 0.00 42.46 40.92 1jof s ILE 36 CO 0.48 -0.19 1.33 -2.65 0.24 0.00 0.00 174.94 174.16 1jof n PRO 37 N -0.20 0.00 -0.35 0.37 -0.02 -1.26 -4.46 135.00 129.08 1jof n PRO 37 Ca -0.01 0.00 0.27 0.00 -2.02 0.00 0.00 63.50 61.73 1jof n PRO 37 Cb 0.65 -1.02 0.52 0.00 -0.02 0.00 0.00 33.50 33.63 1jof n PRO 37 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1jof h GLN 38 N 5.24 0.24 -0.62 -0.52 -0.00 -1.95 0.68 115.11 118.18 1jof h GLN 38 Ca -0.14 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.50 1jof h GLN 38 Cb 0.95 -0.06 0.00 0.00 -0.00 0.00 0.00 27.48 28.38 1jof h GLN 38 CO 0.71 0.16 0.00 -0.40 -0.00 0.00 0.00 178.83 179.31 1jof n ASP 39 N -5.01 3.64 -2.64 0.06 5.75 -1.26 -1.13 116.55 115.96 1jof n ASP 39 Ca 0.33 -2.21 -0.28 0.00 -0.01 0.00 0.00 54.79 52.62 1jof n ASP 39 Cb 1.08 -0.47 -0.01 0.00 -1.03 0.00 0.00 41.12 40.70 1jof n ASP 39 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1jof n GLU 40 N 1.03 3.39 -1.94 0.11 1.02 0.23 -4.73 120.64 119.76 1jof n GLU 40 Ca 0.21 -4.53 -0.39 0.00 -0.02 0.00 0.00 57.16 52.42 1jof n GLU 40 Cb 0.65 -2.25 0.01 0.00 -0.02 0.00 0.00 31.44 29.82 1jof n GLU 40 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1jof s PRO 41 N -3.58 3.72 -0.44 3.49 0.04 -1.26 -4.78 135.00 132.19 1jof s PRO 41 Ca 0.48 2.23 -0.17 0.00 0.04 0.00 0.00 61.00 63.58 1jof s PRO 41 Cb 0.37 -2.61 0.04 0.00 0.04 0.00 0.00 34.50 32.34 1jof s PRO 41 CO -0.19 -0.72 0.42 0.42 0.04 0.00 0.00 177.00 176.97 1jof s ILE 42 N -1.27 5.13 -1.00 0.56 1.01 -1.23 -4.26 121.20 120.14 1jof s ILE 42 Ca 0.61 -0.61 0.26 0.00 0.00 0.00 0.00 60.65 60.92 1jof s ILE 42 Cb -0.40 -4.07 0.09 0.00 0.01 0.00 0.00 42.46 38.09 1jof s ILE 42 CO 0.50 -0.49 1.60 -1.54 0.00 0.00 0.00 174.94 175.01 1jof n SER 43 N 5.49 0.32 -3.58 3.58 3.41 -0.83 -0.97 113.62 121.05 1jof n SER 43 Ca -0.09 0.02 -0.12 0.00 -0.26 0.00 0.00 58.87 58.42 1jof n SER 43 Cb 0.46 -0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.35 1jof n SER 43 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1jof s TRP 44 N -3.00 -0.33 0.00 7.33 -0.11 -1.24 -4.54 118.94 117.04 1jof s TRP 44 Ca 0.12 0.15 0.00 0.00 1.22 0.00 0.00 56.10 57.59 1jof s TRP 44 Cb 0.18 0.34 0.00 0.00 -1.50 0.00 0.00 33.47 32.49 1jof s TRP 44 CO 0.64 -0.70 0.00 -2.37 -4.62 0.00 0.00 176.95 169.89 1jof n THR 46 N -0.03 0.00 -3.05 5.86 5.66 -0.73 -0.51 114.28 121.48 1jof n THR 46 Ca -0.17 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.57 1jof n THR 46 Cb 0.63 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.40 1jof n THR 46 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1jof s PHE 47 N -2.00 3.53 0.33 1.09 0.40 -1.26 -1.23 117.98 118.83 1jof s PHE 47 Ca 0.00 0.56 -0.03 0.00 -0.60 0.00 0.00 56.93 56.86 1jof s PHE 47 Cb 0.00 -2.08 0.07 0.00 0.51 0.00 0.00 43.02 41.52 1jof s PHE 47 CO 0.00 -0.06 0.44 -0.40 0.70 0.00 0.00 175.22 175.91 1jof n ASP 48 N -1.98 0.31 0.18 1.36 5.75 -0.90 -4.73 116.55 116.54 1jof n ASP 48 Ca -0.02 -1.33 0.13 0.00 -0.01 0.00 0.00 54.79 53.55 1jof n ASP 48 Cb 0.56 -0.31 0.63 0.00 -1.03 0.00 0.00 41.12 40.97 1jof n ASP 48 CO 0.00 0.00 0.00 1.12 -0.11 0.00 0.00 177.20 178.21 1jof h HIS 49 N -0.83 0.00 0.00 2.11 2.07 -1.88 -2.27 115.15 114.35 1jof h HIS 49 Ca -0.15 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.37 1jof h HIS 49 Cb 0.47 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.45 1jof h HIS 49 CO 0.00 0.00 -0.01 0.39 -3.07 0.00 0.00 177.93 175.24 1jof n GLU 50 N -2.36 2.51 -2.97 5.12 1.02 -1.26 -4.98 120.64 117.72 1jof n GLU 50 Ca -0.01 -1.61 -0.21 0.00 -0.02 0.00 0.00 57.16 55.31 1jof n GLU 50 Cb 0.09 -1.05 0.01 0.00 -0.02 0.00 0.00 31.44 30.47 1jof n GLU 50 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1jof n ARG 51 N -0.62 -3.58 0.00 3.49 1.74 -0.85 -4.83 116.66 112.00 1jof n ARG 51 Ca 0.03 0.71 0.11 0.00 -0.77 0.00 0.00 57.85 57.92 1jof n ARG 51 Cb 0.33 -5.45 -0.05 0.00 -1.02 0.00 0.00 32.46 26.27 1jof n ARG 51 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1jof n LYS 52 N -3.60 0.73 -3.97 5.56 5.02 -1.26 -4.81 118.16 115.82 1jof n LYS 52 Ca -0.10 -0.57 -0.09 0.00 -2.02 0.00 0.00 58.31 55.53 1jof n LYS 52 Cb 0.60 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 34.02 1jof n LYS 52 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1jof s ASN 53 N -2.68 0.24 -0.08 4.39 0.01 -1.26 -0.50 114.94 115.05 1jof s ASN 53 Ca 0.14 -0.54 0.03 0.00 -0.71 0.00 0.00 52.86 51.78 1jof s ASN 53 Cb 0.17 0.15 0.00 0.00 0.41 0.00 0.00 41.25 41.98 1jof s ASN 53 CO 0.69 -0.38 -0.19 -0.63 -1.51 0.00 0.00 177.10 175.08 1jof s ILE 54 N -1.98 1.69 -0.01 0.60 1.01 0.85 -2.12 121.20 121.24 1jof s ILE 54 Ca -0.11 -0.80 0.04 0.00 0.00 0.00 0.00 60.65 59.77 1jof s ILE 54 Cb -0.06 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 1jof s ILE 54 CO -0.03 0.48 -0.10 -0.31 0.00 0.00 0.00 174.94 174.98 1jof s TYR 55 N 0.45 2.80 0.03 3.97 1.51 -0.37 -0.41 117.35 125.33 1jof s TYR 55 Ca -0.17 -0.09 0.01 0.00 -1.01 0.00 0.00 57.07 55.81 1jof s TYR 55 Cb -0.17 -1.60 -0.02 0.00 -0.11 0.00 0.00 41.96 40.06 1jof s TYR 55 CO 0.07 0.31 -0.05 0.20 -1.11 0.00 0.00 175.55 174.97 1jof s GLY 56 N -1.22 0.35 -0.51 0.71 0.00 -0.67 -1.78 107.32 104.20 1jof s GLY 56 Ca 0.15 -0.63 -0.21 0.00 0.00 0.00 0.00 44.72 44.03 1jof s GLY 56 CO 0.05 -0.68 0.76 0.00 0.00 0.00 0.00 173.10 173.23 1jof s ALA 57 N -1.30 3.29 0.00 3.20 0.00 0.33 -2.19 121.76 125.09 1jof s ALA 57 Ca -0.12 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.40 1jof s ALA 57 Cb -0.09 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1jof s ALA 57 CO -0.00 -2.12 0.00 0.00 0.00 0.00 0.00 175.76 173.64 1jof n ALA 58 N 6.71 2.06 0.00 0.00 0.00 -1.26 -1.95 120.51 126.06 1jof n ALA 58 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1jof n ALA 58 Cb 0.47 0.50 0.00 0.00 0.00 0.00 0.00 19.45 20.41 1jof n ALA 58 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jof n LYS 60 N -2.52 0.00 -4.34 0.00 4.76 -1.26 -4.63 118.16 110.16 1jof n LYS 60 Ca 0.00 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.26 1jof n LYS 60 Cb 0.50 -0.17 -0.10 0.00 -1.84 0.00 0.00 35.03 33.41 1jof n LYS 60 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1jof s LYS 61 N -0.07 1.34 -0.33 1.97 -0.14 -1.26 -3.83 119.74 117.42 1jof s LYS 61 Ca 0.00 -1.64 0.01 0.00 -1.36 0.00 0.00 55.97 52.97 1jof s LYS 61 Cb 0.00 -0.88 0.08 0.00 -1.68 0.00 0.00 37.83 35.35 1jof s LYS 61 CO 0.00 0.04 0.04 -1.58 -0.76 0.00 0.00 175.35 173.09 1jof s TRP 62 N -3.19 3.48 0.29 3.18 0.52 0.27 -4.63 118.94 118.86 1jof s TRP 62 Ca 0.25 -2.40 0.02 0.00 0.02 0.00 0.00 56.10 53.99 1jof s TRP 62 Cb 0.03 -2.55 -0.03 0.00 -1.15 0.00 0.00 33.47 29.77 1jof s TRP 62 CO 0.07 -0.90 0.47 -1.54 0.02 0.00 0.00 176.95 175.08 1jof s SER 63 N 1.26 6.31 -0.05 2.95 1.04 -0.93 -0.75 113.70 123.53 1jof s SER 63 Ca 0.01 0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.78 1jof s SER 63 Cb -0.20 -1.97 0.02 0.00 0.10 0.00 0.00 66.02 63.96 1jof s SER 63 CO -0.04 -0.19 -0.06 -0.55 0.98 0.00 0.00 173.24 173.37 1jof s SER 64 N -3.91 1.13 0.01 7.02 0.15 0.69 -1.67 113.70 117.12 1jof s SER 64 Ca 0.38 -0.16 0.04 0.00 0.70 0.00 0.00 55.95 56.91 1jof s SER 64 Cb -0.10 -0.53 -0.01 0.00 -1.71 0.00 0.00 66.02 63.67 1jof s SER 64 CO 0.33 -0.04 -0.14 -0.36 1.20 0.00 0.00 173.24 174.24 1jof s PHE 65 N 0.88 1.20 -0.06 3.44 0.40 0.45 -0.80 117.98 123.49 1jof s PHE 65 Ca -0.12 -0.27 -0.14 0.00 -0.60 0.00 0.00 56.93 55.81 1jof s PHE 65 Cb -0.15 -0.75 -0.05 0.00 0.51 0.00 0.00 43.02 42.58 1jof s PHE 65 CO 0.01 -0.00 0.36 0.00 0.70 0.00 0.00 175.22 176.28 1jof s ALA 66 N -0.50 3.68 -0.26 5.36 0.00 -0.35 -0.10 121.76 129.59 1jof s ALA 66 Ca 0.04 -0.32 -0.00 0.00 0.00 0.00 0.00 51.96 51.68 1jof s ALA 66 Cb -0.06 -2.36 0.04 0.00 0.00 0.00 0.00 23.12 20.74 1jof s ALA 66 CO 0.00 0.37 -0.08 0.08 0.00 0.00 0.00 175.76 176.14 1jof s VAL 67 N -0.58 2.63 -0.07 0.00 1.01 0.34 -0.83 120.40 122.90 1jof s VAL 67 Ca 0.21 -1.25 0.07 0.00 0.00 0.00 0.00 61.98 61.01 1jof s VAL 67 Cb -0.15 -2.40 -0.24 0.00 0.00 0.00 0.00 36.38 33.58 1jof s VAL 67 CO 0.10 0.11 0.56 2.29 0.00 0.00 0.00 175.10 178.16 1jof n LYS 68 N 4.59 0.67 -3.83 2.72 2.85 -0.28 -4.68 118.16 120.20 1jof n LYS 68 Ca -0.16 0.28 -0.06 0.00 -1.05 0.00 0.00 58.31 57.32 1jof n LYS 68 Cb 0.45 -1.76 0.00 0.00 -0.65 0.00 0.00 35.03 33.07 1jof n LYS 68 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1jof s SER 69 N -6.37 -0.10 0.55 -5.58 1.04 -1.23 -4.97 113.70 97.04 1jof s SER 69 Ca -0.10 -0.80 0.26 0.00 0.48 0.00 0.00 55.95 55.79 1jof s SER 69 Cb 0.08 0.70 1.46 0.00 0.10 0.00 0.00 66.02 68.35 1jof s SER 69 CO 0.81 -1.35 2.01 -0.65 0.98 0.00 0.00 173.24 175.03 1jof h PRO 70 N 2.00 0.00 -0.13 4.02 0.11 -1.99 -1.94 132.00 134.06 1jof h PRO 70 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1jof h PRO 70 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1jof h PRO 70 CO 0.32 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.36 1jof n THR 71 N -4.17 0.22 -3.89 -1.15 -2.24 -1.26 -4.79 114.28 97.00 1jof n THR 71 Ca 0.08 -0.61 -0.30 0.00 -2.27 0.00 0.00 64.05 60.94 1jof n THR 71 Cb 0.54 1.15 -0.14 0.00 -2.10 0.00 0.00 70.33 69.79 1jof n THR 71 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1jof s GLU 72 N -1.28 1.79 -0.21 -0.78 2.02 -0.73 -5.03 118.70 114.49 1jof s GLU 72 Ca 0.22 -2.45 0.01 0.00 0.02 0.00 0.00 54.97 52.77 1jof s GLU 72 Cb 0.15 -3.07 0.03 0.00 0.10 0.00 0.00 34.13 31.34 1jof s GLU 72 CO 0.21 -1.12 -0.16 0.42 0.02 0.00 0.00 175.26 174.63 1jof s ILE 73 N -0.10 2.19 -0.20 -1.63 1.01 -1.26 -1.13 121.20 120.07 1jof s ILE 73 Ca 0.17 -1.12 -0.03 0.00 0.00 0.00 0.00 60.65 59.67 1jof s ILE 73 Cb -0.25 -2.04 -0.00 0.00 0.01 0.00 0.00 42.46 40.17 1jof s ILE 73 CO -0.00 0.36 -0.08 -0.69 0.00 0.00 0.00 174.94 174.52 1jof s VAL 74 N 1.25 3.08 0.10 2.92 1.01 -0.01 -4.94 120.40 123.80 1jof s VAL 74 Ca 0.01 -0.60 -0.31 0.00 0.00 0.00 0.00 61.98 61.08 1jof s VAL 74 Cb -0.15 -2.37 -0.10 0.00 0.00 0.00 0.00 36.38 33.75 1jof s VAL 74 CO -0.10 0.46 1.88 1.57 0.00 0.00 0.00 175.10 178.91 1jof n HIS 75 N 4.64 2.60 0.13 5.22 -0.00 -1.26 -1.21 115.22 125.35 1jof n HIS 75 Ca -0.19 -0.22 0.03 0.00 0.46 0.00 0.00 57.72 57.81 1jof n HIS 75 Cb 0.51 -2.75 -0.04 0.00 -0.12 0.00 0.00 29.99 27.58 1jof n HIS 75 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1jof n GLU 76 N 6.16 2.63 -3.63 1.57 1.02 0.02 -4.92 120.64 123.49 1jof n GLU 76 Ca 0.19 -0.03 -0.03 0.00 -0.02 0.00 0.00 57.16 57.27 1jof n GLU 76 Cb 0.38 -0.96 -0.03 0.00 -0.02 0.00 0.00 31.44 30.82 1jof n GLU 76 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jof s ALA 77 N -1.98 -2.15 -0.23 0.62 0.00 -1.08 -4.97 121.76 111.96 1jof s ALA 77 Ca -0.00 1.84 -0.03 0.00 0.00 0.00 0.00 51.96 53.77 1jof s ALA 77 Cb 0.04 -0.60 0.12 0.00 0.00 0.00 0.00 23.12 22.67 1jof s ALA 77 CO 0.24 -0.48 0.31 -1.12 0.00 0.00 0.00 175.76 174.71 1jof s SER 78 N -1.81 0.80 0.22 0.00 0.01 -1.26 -0.22 113.70 111.44 1jof s SER 78 Ca 0.10 -0.04 -0.01 0.00 1.31 0.00 0.00 55.95 57.32 1jof s SER 78 Cb -0.01 0.78 -0.04 0.00 0.21 0.00 0.00 66.02 66.95 1jof s SER 78 CO -0.04 -0.32 0.41 -1.00 0.41 0.00 0.00 173.24 172.71 1jof s HIS 79 N 2.44 3.48 0.62 2.43 3.76 0.07 -4.83 115.29 123.27 1jof s HIS 79 Ca 0.10 0.37 -0.08 0.00 -0.15 0.00 0.00 55.06 55.29 1jof s HIS 79 Cb -0.15 -1.88 -0.00 0.00 1.11 0.00 0.00 32.58 31.66 1jof s HIS 79 CO -0.16 0.35 0.98 -1.25 -0.85 0.00 0.00 174.74 173.81 1jof s PRO 80 N -3.40 3.05 0.07 8.40 0.04 -1.26 -0.57 135.00 141.34 1jof s PRO 80 Ca 0.39 0.28 -0.31 0.00 0.04 0.00 0.00 61.00 61.40 1jof s PRO 80 Cb -0.11 -2.17 -0.06 0.00 0.04 0.00 0.00 34.50 32.20 1jof s PRO 80 CO 0.29 -0.75 1.25 0.42 0.04 0.00 0.00 177.00 178.25 1jof s ILE 81 N -3.12 3.84 0.49 0.56 1.01 -1.25 -4.79 121.20 117.94 1jof s ILE 81 Ca 0.55 1.32 0.07 0.00 0.00 0.00 0.00 60.65 62.59 1jof s ILE 81 Cb -0.11 -3.85 0.04 0.00 0.01 0.00 0.00 42.46 38.55 1jof s ILE 81 CO 0.49 0.10 0.67 -0.83 0.00 0.00 0.00 174.94 175.37 1jof s GLY 82 N 1.08 1.87 0.00 6.18 0.00 -1.26 -4.54 107.32 110.65 1jof s GLY 82 Ca 0.60 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 43.59 1jof s GLY 82 CO 0.29 -1.45 0.00 0.61 0.00 0.00 0.00 173.10 172.55 1jof n GLY 83 N -2.06 0.97 3.74 0.20 0.00 -1.26 -4.87 105.19 101.91 1jof n GLY 83 Ca 0.10 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 1jof n GLY 83 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1jof s HIS 84 N 0.00 3.26 0.26 1.61 5.65 -1.26 -4.93 115.29 119.88 1jof s HIS 84 Ca 0.00 1.28 -0.02 0.00 0.25 0.00 0.00 55.06 56.57 1jof s HIS 84 Cb 0.00 -3.59 0.55 0.00 -1.18 0.00 0.00 32.58 28.36 1jof s HIS 84 CO 0.00 -1.77 1.70 -1.35 -0.65 0.00 0.00 174.74 172.67 1jof h PRO 85 N 5.02 0.34 0.00 2.88 0.11 -1.94 -1.18 132.00 137.23 1jof h PRO 85 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1jof h PRO 85 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1jof h PRO 85 CO 0.75 0.22 0.00 0.54 -0.21 0.00 0.00 178.00 179.30 1jof n ARG 86 N -5.09 0.47 -0.33 1.05 1.74 -1.26 -3.89 116.66 109.34 1jof n ARG 86 Ca 0.17 0.03 0.15 0.00 -0.77 0.00 0.00 57.85 57.43 1jof n ARG 86 Cb 0.51 -1.50 0.38 0.00 -1.02 0.00 0.00 32.46 30.83 1jof n ARG 86 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jof h ALA 87 N 3.35 1.83 0.00 7.54 0.00 -1.46 -2.26 119.26 128.26 1jof h ALA 87 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1jof h ALA 87 Cb 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1jof h ALA 87 CO 0.00 -0.20 -0.71 -0.91 0.00 0.00 0.00 179.25 177.43 1jof h ASN 88 N 0.66 0.00 -1.81 0.00 2.35 -1.79 -3.42 115.58 111.57 1jof h ASN 88 Ca 0.57 -0.00 -0.64 0.00 -0.55 0.00 0.00 56.30 55.68 1jof h ASN 88 Cb 1.04 0.00 0.10 0.00 0.05 0.00 0.00 38.32 39.51 1jof h ASN 88 CO -0.35 0.00 -0.07 0.47 -1.65 0.00 0.00 177.43 175.83 1jof n ASP 89 N -2.79 0.38 0.00 5.81 8.00 -0.85 -4.75 116.55 122.35 1jof n ASP 89 Ca 0.01 1.16 0.09 0.00 0.71 0.00 0.00 54.79 56.76 1jof n ASP 89 Cb 0.54 -1.14 0.50 0.00 -0.02 0.00 0.00 41.12 41.00 1jof n ASP 89 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jof n ALA 90 N 0.44 2.07 0.23 2.24 0.00 -1.26 -2.74 120.51 121.47 1jof n ALA 90 Ca 0.14 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.60 1jof n ALA 90 Cb 0.27 -1.31 0.25 0.00 0.00 0.00 0.00 19.45 18.66 1jof n ALA 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jof n ASP 91 N -1.21 3.44 -4.59 0.00 5.68 -1.26 -4.92 116.55 113.68 1jof n ASP 91 Ca 0.10 -1.98 -0.30 0.00 -0.50 0.00 0.00 54.79 52.11 1jof n ASP 91 Cb 0.13 -0.30 -0.10 0.00 -1.14 0.00 0.00 41.12 39.71 1jof n ASP 91 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1jof s THR 92 N -1.40 3.49 -2.00 2.12 -4.23 -1.11 -5.03 115.64 107.48 1jof s THR 92 Ca 0.41 -1.17 0.24 0.00 -1.18 0.00 0.00 61.69 59.98 1jof s THR 92 Cb 0.23 -2.62 0.67 0.00 1.34 0.00 0.00 72.50 72.12 1jof s THR 92 CO 0.32 0.14 1.88 -0.46 -0.54 0.00 0.00 174.62 175.96 1jof n ASN 93 N 0.78 0.00 -4.62 3.99 0.23 -1.26 -4.89 115.26 109.50 1jof n ASN 93 Ca -0.13 -1.17 -0.47 0.00 -0.53 0.00 0.00 54.58 52.28 1jof n ASN 93 Cb 0.52 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.19 1jof n ASN 93 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 1jof n THR 94 N -0.89 1.08 -3.85 5.53 -1.04 -1.26 -4.71 114.28 109.14 1jof n THR 94 Ca 0.18 -0.27 -0.12 0.00 -2.04 0.00 0.00 64.05 61.79 1jof n THR 94 Cb 0.08 -1.12 -0.14 0.00 -1.82 0.00 0.00 70.33 67.33 1jof n THR 94 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1jof s ARG 95 N -0.58 0.02 -0.10 -2.82 3.52 -0.87 -4.80 118.95 113.33 1jof s ARG 95 Ca 0.69 0.05 -0.29 0.00 -0.13 0.00 0.00 55.73 56.04 1jof s ARG 95 Cb -0.75 -0.01 -0.04 0.00 -1.56 0.00 0.00 34.95 32.59 1jof s ARG 95 CO 0.52 -0.02 1.54 0.00 -0.81 0.00 0.00 175.30 176.54 1jof s ALA 96 N 0.11 3.60 -0.06 6.12 0.00 -1.26 -0.39 121.76 129.89 1jof s ALA 96 Ca -0.01 0.77 0.03 0.00 0.00 0.00 0.00 51.96 52.75 1jof s ALA 96 Cb -0.01 -3.72 -0.05 0.00 0.00 0.00 0.00 23.12 19.33 1jof s ALA 96 CO -0.00 -1.38 -0.01 1.51 0.00 0.00 0.00 175.76 175.88 1jof n ILE 97 N 5.52 0.36 -4.01 0.00 0.13 -0.71 -4.30 119.36 116.35 1jof n ILE 97 Ca 0.16 -0.19 -0.08 0.00 -1.10 0.00 0.00 62.75 61.54 1jof n ILE 97 Cb 0.43 -0.81 -0.10 0.00 -0.84 0.00 0.00 39.64 38.32 1jof n ILE 97 CO 0.00 0.00 0.00 0.12 2.80 0.00 0.00 176.55 179.47 1jof s PHE 98 N -2.13 0.33 -0.08 9.51 5.36 -1.16 -4.66 117.98 125.16 1jof s PHE 98 Ca -0.05 -0.70 -0.09 0.00 -0.96 0.00 0.00 56.93 55.13 1jof s PHE 98 Cb 0.02 -0.25 0.02 0.00 -0.34 0.00 0.00 43.02 42.47 1jof s PHE 98 CO 0.19 -0.29 0.24 -1.17 -1.46 0.00 0.00 175.22 172.73 1jof s LEU 99 N -2.08 1.09 -0.04 6.12 2.96 -1.26 -1.05 118.68 124.43 1jof s LEU 99 Ca -0.06 0.39 -0.00 0.00 -0.22 0.00 0.00 54.13 54.24 1jof s LEU 99 Cb -0.02 0.87 0.03 0.00 0.50 0.00 0.00 46.19 47.56 1jof s LEU 99 CO -0.05 -0.14 0.02 -0.22 -1.32 0.00 0.00 176.35 174.63 1jof s LEU 100 N -0.14 0.90 -0.26 -0.68 2.96 0.31 -4.89 118.68 116.88 1jof s LEU 100 Ca -0.03 -0.01 -0.07 0.00 -0.22 0.00 0.00 54.13 53.81 1jof s LEU 100 Cb -0.03 -0.21 -0.01 0.00 0.50 0.00 0.00 46.19 46.44 1jof s LEU 100 CO 0.01 -0.14 0.06 0.00 -1.32 0.00 0.00 176.35 174.96 1jof s ALA 101 N 1.35 3.08 0.44 5.97 0.00 -1.26 -0.29 121.76 131.04 1jof s ALA 101 Ca -0.05 -1.26 -0.25 0.00 0.00 0.00 0.00 51.96 50.39 1jof s ALA 101 Cb -0.13 -2.06 -0.09 0.00 0.00 0.00 0.00 23.12 20.84 1jof s ALA 101 CO -0.03 -0.65 1.35 0.00 0.00 0.00 0.00 175.76 176.43 1jof n ALA 102 N 4.89 1.66 1.00 0.00 0.00 -0.64 -4.82 120.51 122.59 1jof n ALA 102 Ca -0.16 0.25 0.11 0.00 0.00 0.00 0.00 53.44 53.64 1jof n ALA 102 Cb 0.50 -2.33 -0.01 0.00 0.00 0.00 0.00 19.45 17.61 1jof n ALA 102 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jof n LYS 103 N -0.10 1.15 -4.38 0.00 5.02 -1.26 -4.47 118.16 114.12 1jof n LYS 103 Ca 0.06 -0.94 -0.26 0.00 -2.02 0.00 0.00 58.31 55.15 1jof n LYS 103 Cb 0.41 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.84 1jof n LYS 103 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1jof s GLN 104 N -2.51 1.80 0.44 1.97 -1.52 -1.26 -4.92 119.66 113.66 1jof s GLN 104 Ca 0.18 -1.47 -0.23 0.00 -1.95 0.00 0.00 55.36 51.88 1jof s GLN 104 Cb 0.18 -1.97 -0.11 0.00 -0.22 0.00 0.00 33.01 30.89 1jof s GLN 104 CO 0.59 0.40 0.82 -2.30 -0.25 0.00 0.00 175.29 174.55 1jof n PRO 105 N -0.08 1.00 -0.22 2.91 -0.02 -1.26 -0.94 135.00 136.38 1jof n PRO 105 Ca -0.10 0.36 0.02 0.00 -2.02 0.00 0.00 63.50 61.76 1jof n PRO 105 Cb 0.57 -1.84 0.10 0.00 -0.02 0.00 0.00 33.50 32.31 1jof n PRO 105 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1jof n PRO 106 N 0.21 1.98 -3.16 0.52 -0.04 -1.26 -4.93 135.00 128.32 1jof n PRO 106 Ca 0.11 -0.81 -0.23 0.00 -0.04 0.00 0.00 63.50 62.53 1jof n PRO 106 Cb 0.40 -1.66 0.04 0.00 -0.04 0.00 0.00 33.50 32.23 1jof n PRO 106 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1jof n TYR 107 N 0.16 -2.06 -1.31 0.54 4.02 -0.12 -4.64 117.16 113.74 1jof n TYR 107 Ca 0.07 0.58 -0.30 0.00 -0.01 0.00 0.00 57.90 58.24 1jof n TYR 107 Cb 0.47 -4.35 0.11 0.00 -0.02 0.00 0.00 39.34 35.56 1jof n TYR 107 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jof s ALA 108 N -3.17 1.89 -0.11 -0.72 0.00 -1.26 -4.58 121.76 113.81 1jof s ALA 108 Ca 0.36 -0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.31 1jof s ALA 108 Cb -0.16 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 1jof s ALA 108 CO 0.44 -2.05 -0.16 0.08 0.00 0.00 0.00 175.76 174.07 1jof s VAL 109 N -2.98 2.78 -0.20 0.00 1.01 -0.12 -1.63 120.40 119.26 1jof s VAL 109 Ca 0.62 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 1jof s VAL 109 Cb -0.17 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 1jof s VAL 109 CO 0.56 0.54 -0.06 -0.31 0.00 0.00 0.00 175.10 175.83 1jof s TYR 110 N 0.16 2.93 0.11 5.22 1.51 0.60 -0.39 117.35 127.48 1jof s TYR 110 Ca -0.09 -0.91 0.09 0.00 -1.01 0.00 0.00 57.07 55.14 1jof s TYR 110 Cb -0.15 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.61 1jof s TYR 110 CO 0.05 -0.50 -0.22 0.00 -1.11 0.00 0.00 175.55 173.78 1jof s ALA 111 N 1.27 1.90 -0.17 3.71 0.00 0.60 -0.53 121.76 128.54 1jof s ALA 111 Ca 0.03 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.71 1jof s ALA 111 Cb -0.14 -0.26 0.03 0.00 0.00 0.00 0.00 23.12 22.74 1jof s ALA 111 CO -0.03 0.38 -0.15 -0.80 0.00 0.00 0.00 175.76 175.16 1jof s ASN 112 N -1.97 2.93 0.78 0.00 0.01 -0.21 -0.94 114.94 115.54 1jof s ASN 112 Ca 0.08 -0.60 -0.12 0.00 -0.71 0.00 0.00 52.86 51.51 1jof s ASN 112 Cb -0.10 -1.28 0.06 0.00 0.41 0.00 0.00 41.25 40.34 1jof s ASN 112 CO 0.05 -0.06 1.15 -2.16 -1.51 0.00 0.00 177.10 174.57 1jof s PRO 113 N 1.41 2.26 0.16 -0.60 0.04 -1.26 -1.73 135.00 135.28 1jof s PRO 113 Ca 0.04 0.25 -0.05 0.00 0.04 0.00 0.00 61.00 61.27 1jof s PRO 113 Cb -0.13 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 1jof s PRO 113 CO -0.11 -1.42 0.20 0.12 0.04 0.00 0.00 177.00 175.83 1jof s PHE 114 N -3.49 0.68 0.00 0.56 5.36 0.48 -4.45 117.98 117.12 1jof s PHE 114 Ca 0.61 -1.02 0.00 0.00 -0.96 0.00 0.00 56.93 55.56 1jof s PHE 114 Cb -0.11 -0.26 0.00 0.00 -0.34 0.00 0.00 43.02 42.30 1jof s PHE 114 CO 0.50 -0.66 0.00 0.66 -1.46 0.00 0.00 175.22 174.26 1jof n TYR 115 N -0.19 0.00 -1.58 10.12 4.02 -1.26 -2.05 117.16 126.21 1jof n TYR 115 Ca -0.05 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.53 1jof n TYR 115 Cb 0.64 0.01 0.05 0.00 -0.02 0.00 0.00 39.34 40.02 1jof n TYR 115 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1jof s LYS 116 N 0.00 2.87 -1.50 -0.72 1.02 -1.26 -3.85 119.74 116.29 1jof s LYS 116 Ca 0.00 1.03 -0.09 0.00 0.02 0.00 0.00 55.97 56.93 1jof s LYS 116 Cb 0.00 -1.98 0.07 0.00 -0.52 0.00 0.00 37.83 35.40 1jof s LYS 116 CO 0.00 -1.15 0.72 1.19 -0.92 0.00 0.00 175.35 175.19 1jof n PHE 117 N -3.05 -1.90 -1.33 3.18 3.01 -1.26 -4.24 117.46 111.86 1jof n PHE 117 Ca 0.08 0.82 0.07 0.00 1.01 0.00 0.00 57.45 59.43 1jof n PHE 117 Cb 0.53 -3.71 0.18 0.00 -0.01 0.00 0.00 39.48 36.47 1jof n PHE 117 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jof n ALA 118 N -4.46 3.08 0.67 4.37 0.00 -1.25 -4.44 120.51 118.48 1jof n ALA 118 Ca -0.11 -2.95 0.00 0.00 0.00 0.00 0.00 53.44 50.38 1jof n ALA 118 Cb 0.59 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.63 1jof n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jof n GLY 119 N -1.22 1.08 3.15 0.00 0.00 -1.26 -4.54 105.19 102.40 1jof n GLY 119 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 1jof n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jof s TYR 120 N -0.70 0.60 0.18 1.61 1.51 -1.26 -1.32 117.35 117.97 1jof s TYR 120 Ca 0.00 -1.05 0.07 0.00 -1.01 0.00 0.00 57.07 55.08 1jof s TYR 120 Cb 0.00 -0.35 -0.04 0.00 -0.11 0.00 0.00 41.96 41.46 1jof s TYR 120 CO 0.00 -0.49 0.03 0.20 -1.11 0.00 0.00 175.55 174.18 1jof s GLY 121 N -2.97 1.71 -0.15 0.71 0.00 0.09 -4.39 107.32 102.32 1jof s GLY 121 Ca 0.14 -1.36 0.02 0.00 0.00 0.00 0.00 44.72 43.52 1jof s GLY 121 CO -0.05 -1.38 -0.21 -1.31 0.00 0.00 0.00 173.10 170.16 1jof s ASN 122 N -3.05 3.16 -0.15 1.64 0.02 -0.12 -2.51 114.94 113.95 1jof s ASN 122 Ca 0.28 -0.60 -0.03 0.00 -1.02 0.00 0.00 52.86 51.50 1jof s ASN 122 Cb -0.09 -1.46 -0.02 0.00 0.02 0.00 0.00 41.25 39.69 1jof s ASN 122 CO 0.20 0.06 -0.06 -0.69 0.02 0.00 0.00 177.10 176.63 1jof s VAL 123 N 0.92 3.70 -0.06 1.60 1.01 0.26 -0.29 120.40 127.54 1jof s VAL 123 Ca -0.04 -0.43 0.06 0.00 0.00 0.00 0.00 61.98 61.56 1jof s VAL 123 Cb -0.15 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 1jof s VAL 123 CO -0.04 0.51 -0.24 -0.36 0.00 0.00 0.00 175.10 174.97 1jof s PHE 124 N 0.30 2.34 0.63 5.22 0.40 0.47 -1.07 117.98 126.27 1jof s PHE 124 Ca -0.05 -0.72 -0.07 0.00 -0.60 0.00 0.00 56.93 55.49 1jof s PHE 124 Cb -0.14 -1.54 0.02 0.00 0.51 0.00 0.00 43.02 41.86 1jof s PHE 124 CO 0.04 -0.23 0.96 -1.54 0.70 0.00 0.00 175.22 175.14 1jof s SER 125 N -0.09 5.41 0.23 1.36 1.04 -0.17 -0.95 113.70 120.54 1jof s SER 125 Ca -0.05 0.74 0.10 0.00 0.48 0.00 0.00 55.95 57.22 1jof s SER 125 Cb -0.14 -1.63 -0.05 0.00 0.10 0.00 0.00 66.02 64.31 1jof s SER 125 CO 0.04 -1.22 -0.18 0.68 0.98 0.00 0.00 173.24 173.54 1jof s VAL 126 N -3.11 2.12 0.97 5.02 -7.23 -1.26 -0.50 120.40 116.41 1jof s VAL 126 Ca 0.56 -2.25 -0.16 0.00 -1.81 0.00 0.00 61.98 58.32 1jof s VAL 126 Cb -0.11 -2.14 0.20 0.00 0.56 0.00 0.00 36.38 34.89 1jof s VAL 126 CO 0.46 -0.44 1.28 -0.94 -0.31 0.00 0.00 175.10 175.15 1jof s SER 127 N -3.27 3.01 0.65 4.85 1.04 -0.17 -4.78 113.70 115.04 1jof s SER 127 Ca 0.25 0.39 0.38 0.00 0.48 0.00 0.00 55.95 57.44 1jof s SER 127 Cb -0.04 -0.52 2.11 0.00 0.10 0.00 0.00 66.02 67.67 1jof s SER 127 CO 0.11 -2.81 2.24 1.05 0.98 0.00 0.00 173.24 174.81 1jof h GLU 128 N -1.69 0.00 -0.02 4.02 9.09 -2.01 -0.06 114.58 123.91 1jof h GLU 128 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.96 1jof h GLU 128 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 1jof h GLU 128 CO 0.41 0.00 -0.08 0.25 0.05 0.00 0.00 179.01 179.64 1jof n THR 129 N -3.25 0.00 -0.50 -1.06 -2.24 -1.26 -4.96 114.28 101.01 1jof n THR 129 Ca -0.02 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1jof n THR 129 Cb 0.16 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 1jof n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jof n GLY 130 N 1.32 0.73 3.79 3.38 0.00 -0.04 -4.90 105.19 109.48 1jof n GLY 130 Ca 0.14 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1jof n GLY 130 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jof s LYS 131 N -0.63 4.51 -0.19 1.61 2.20 -1.26 -4.69 119.74 121.29 1jof s LYS 131 Ca 0.00 1.24 -0.28 0.00 -0.36 0.00 0.00 55.97 56.57 1jof s LYS 131 Cb 0.00 -2.77 -0.05 0.00 -1.51 0.00 0.00 37.83 33.50 1jof s LYS 131 CO 0.00 0.27 2.12 -0.51 -0.36 0.00 0.00 175.35 176.88 1jof s LEU 132 N -2.13 3.62 -0.01 5.43 1.43 -1.26 -1.00 118.68 124.77 1jof s LEU 132 Ca 0.50 1.96 -0.00 0.00 -1.03 0.00 0.00 54.13 55.55 1jof s LEU 132 Cb -0.18 -3.52 -0.00 0.00 0.03 0.00 0.00 46.19 42.53 1jof s LEU 132 CO 0.23 -1.77 -0.00 -0.08 0.23 0.00 0.00 176.35 174.95 1jof h GLU 133 N 14.02 0.00 -3.11 1.70 4.57 -1.10 -3.47 114.58 127.20 1jof h GLU 133 Ca -0.41 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 57.62 1jof h GLU 133 Cb 1.23 0.00 -0.23 0.00 -0.16 0.00 0.00 28.75 29.59 1jof h GLU 133 CO 0.96 0.00 -0.36 0.21 -1.18 0.00 0.00 179.01 178.64 1jof s LYS 134 N -1.04 0.47 -0.67 1.92 2.20 -1.22 -4.96 119.74 116.44 1jof s LYS 134 Ca -0.00 0.08 -0.27 0.00 -0.36 0.00 0.00 55.97 55.42 1jof s LYS 134 Cb 0.00 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.53 1jof s LYS 134 CO 0.01 -0.10 1.62 1.21 -0.36 0.00 0.00 175.35 177.72 1jof s ASN 135 N -0.58 5.65 0.16 1.43 3.84 -1.26 -1.00 114.94 123.17 1jof s ASN 135 Ca -0.07 -0.00 0.25 0.00 0.21 0.00 0.00 52.86 53.25 1jof s ASN 135 Cb -0.04 -2.54 0.48 0.00 -0.55 0.00 0.00 41.25 38.60 1jof s ASN 135 CO 0.02 -2.15 1.46 -0.37 -2.79 0.00 0.00 177.10 173.27 1jof h VAL 136 N 6.53 0.00 -1.76 -5.21 -1.51 -1.46 -3.47 116.25 109.37 1jof h VAL 136 Ca -0.27 -0.51 0.02 0.00 -1.23 0.00 0.00 66.70 64.72 1jof h VAL 136 Cb 1.11 1.23 -0.24 0.00 -2.13 0.00 0.00 31.29 31.26 1jof h VAL 136 CO 1.25 0.00 0.34 -1.58 -1.23 0.00 0.00 177.57 176.34 1jof s GLN 137 N -3.15 0.67 -0.51 5.19 0.74 -1.18 -5.01 119.66 116.40 1jof s GLN 137 Ca 0.07 0.66 0.03 0.00 0.05 0.00 0.00 55.36 56.18 1jof s GLN 137 Cb 0.13 0.32 0.14 0.00 1.10 0.00 0.00 33.01 34.70 1jof s GLN 137 CO 0.68 -0.11 0.28 -0.80 -0.55 0.00 0.00 175.29 174.80 1jof s ASN 138 N 0.02 4.06 0.24 6.67 0.01 -1.26 -0.58 114.94 124.12 1jof s ASN 138 Ca 0.00 -2.98 -0.27 0.00 -0.71 0.00 0.00 52.86 48.90 1jof s ASN 138 Cb -0.04 -1.39 -0.09 0.00 0.41 0.00 0.00 41.25 40.13 1jof s ASN 138 CO -0.02 -0.22 0.88 -0.72 -1.51 0.00 0.00 177.10 175.51 1jof s TYR 139 N -0.20 3.86 0.18 2.20 -0.85 -1.04 -4.79 117.35 116.71 1jof s TYR 139 Ca 0.19 1.77 -0.06 0.00 -0.52 0.00 0.00 57.07 58.45 1jof s TYR 139 Cb -0.22 -2.88 -0.06 0.00 0.38 0.00 0.00 41.96 39.18 1jof s TYR 139 CO -0.02 0.39 0.43 -1.83 -1.52 0.00 0.00 175.55 173.00 1jof s GLU 140 N -1.49 3.65 0.00 -3.49 -1.05 -1.26 -0.73 118.70 114.33 1jof s GLU 140 Ca 0.42 -0.02 0.00 0.00 -0.15 0.00 0.00 54.97 55.23 1jof s GLU 140 Cb -0.22 -2.78 0.00 0.00 -0.44 0.00 0.00 34.13 30.69 1jof s GLU 140 CO 0.27 0.40 0.00 0.66 0.95 0.00 0.00 175.26 177.54 1jof n TYR 141 N -0.14 0.00 -3.91 4.83 4.02 -0.43 -4.94 117.16 116.58 1jof n TYR 141 Ca -0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.78 1jof n TYR 141 Cb 0.52 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.78 1jof n TYR 141 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1jof s GLN 142 N 1.38 1.11 0.56 -0.72 -2.07 -1.25 -5.03 119.66 113.63 1jof s GLN 142 Ca 0.00 -1.10 0.32 0.00 -1.82 0.00 0.00 55.36 52.76 1jof s GLN 142 Cb 0.00 0.38 1.47 0.00 -1.09 0.00 0.00 33.01 33.77 1jof s GLN 142 CO 0.00 -0.40 1.85 1.49 -1.32 0.00 0.00 175.29 176.90 1jof h GLU 143 N 2.55 0.00 0.00 9.60 4.81 -1.98 -0.50 114.58 129.06 1jof h GLU 143 Ca -0.32 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.69 1jof h GLU 143 Cb 1.23 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 1jof h GLU 143 CO 0.49 0.00 -1.10 -0.97 -0.73 0.00 0.00 179.01 176.70 1jof h ASN 144 N 0.00 0.00 -2.71 1.04 -1.24 -1.96 -3.42 115.58 107.29 1jof h ASN 144 Ca 0.39 0.00 -0.59 0.00 0.71 0.00 0.00 56.30 56.81 1jof h ASN 144 Cb 1.72 0.00 0.15 0.00 0.73 0.00 0.00 38.32 40.92 1jof h ASN 144 CO -0.00 0.96 -0.29 0.41 -1.29 0.00 0.00 177.43 177.22 1jof n THR 145 N -3.28 2.09 -2.88 -3.57 -1.04 -0.20 -4.09 114.28 101.32 1jof n THR 145 Ca -0.03 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.05 61.36 1jof n THR 145 Cb 0.95 -0.71 0.01 0.00 -1.82 0.00 0.00 70.33 68.76 1jof n THR 145 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jof n GLY 146 N 1.67 0.67 3.74 3.41 0.00 -1.26 -4.31 105.19 109.11 1jof n GLY 146 Ca 0.11 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1jof n GLY 146 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jof s ILE 147 N 0.28 2.88 0.00 -0.61 -1.09 -1.26 -1.64 121.20 119.76 1jof s ILE 147 Ca 0.32 0.73 0.00 0.00 -2.23 0.00 0.00 60.65 59.48 1jof s ILE 147 Cb 0.18 -3.47 0.00 0.00 -1.58 0.00 0.00 42.46 37.59 1jof s ILE 147 CO -0.19 0.11 0.34 1.57 -1.23 0.00 0.00 174.94 175.54 1jof n HIS 148 N 2.50 0.00 -3.70 3.97 -0.00 -0.72 -4.76 115.22 112.51 1jof n HIS 148 Ca 0.07 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.26 1jof n HIS 148 Cb 0.41 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 30.28 1jof n HIS 148 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1jof s GLY 149 N -0.26 -0.33 0.00 1.57 0.00 -1.16 -4.71 107.32 102.43 1jof s GLY 149 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.23 1jof s GLY 149 CO 0.00 1.16 0.00 1.55 0.00 0.00 0.00 173.10 175.81 1jof n VAL 151 N -0.57 0.00 -3.26 1.40 3.14 -0.69 -0.93 118.33 117.41 1jof n VAL 151 Ca -0.06 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.07 1jof n VAL 151 Cb 0.62 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.39 1jof n VAL 151 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 1jof s PHE 152 N -1.56 3.51 0.68 1.45 0.40 -1.26 -1.00 117.98 120.20 1jof s PHE 152 Ca 0.00 0.47 -0.11 0.00 -0.60 0.00 0.00 56.93 56.69 1jof s PHE 152 Cb 0.00 -1.99 0.00 0.00 0.51 0.00 0.00 43.02 41.54 1jof s PHE 152 CO 0.00 0.07 1.07 0.16 0.70 0.00 0.00 175.22 177.23 1jof s ASP 153 N -3.88 5.63 0.55 1.36 1.47 -0.79 -4.88 116.67 116.12 1jof s ASP 153 Ca 0.42 1.26 0.35 0.00 1.18 0.00 0.00 52.55 55.75 1jof s ASP 153 Cb -0.10 -2.13 1.51 0.00 -0.34 0.00 0.00 42.92 41.86 1jof s ASP 153 CO 0.36 -1.24 1.80 -0.65 0.68 0.00 0.00 175.17 176.12 1jof h PRO 154 N -0.58 0.00 0.00 2.11 0.11 -1.86 0.27 132.00 132.04 1jof h PRO 154 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1jof h PRO 154 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1jof h PRO 154 CO 0.63 0.00 -0.31 1.15 -0.21 0.00 0.00 178.00 179.25 1jof h THR 155 N 0.00 0.00 -4.91 -1.15 2.02 -1.95 -3.48 112.91 103.44 1jof h THR 155 Ca 0.51 -0.60 -0.29 0.00 0.77 0.00 0.00 66.41 66.79 1jof h THR 155 Cb 2.13 1.40 0.12 0.00 -1.74 0.00 0.00 68.15 70.06 1jof h THR 155 CO -0.01 0.00 -0.58 -0.62 0.37 0.00 0.00 175.52 174.68 1jof n GLU 156 N -2.36 -5.89 -0.02 6.66 1.02 0.08 -4.89 120.64 115.24 1jof n GLU 156 Ca 0.04 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.86 1jof n GLU 156 Cb 0.46 -5.21 -0.05 0.00 -0.02 0.00 0.00 31.44 26.61 1jof n GLU 156 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1jof n THR 157 N -4.03 0.23 -4.65 2.62 -1.04 -1.26 -4.77 114.28 101.38 1jof n THR 157 Ca -0.11 -0.22 -0.23 0.00 -2.04 0.00 0.00 64.05 61.45 1jof n THR 157 Cb 0.59 -0.25 -0.16 0.00 -1.82 0.00 0.00 70.33 68.70 1jof n THR 157 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1jof s TYR 158 N -2.32 1.37 -0.16 -1.42 1.51 -1.26 0.19 117.35 115.26 1jof s TYR 158 Ca -0.03 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 55.68 1jof s TYR 158 Cb 0.03 -0.93 0.00 0.00 -0.11 0.00 0.00 41.96 40.95 1jof s TYR 158 CO 0.28 -0.12 -0.15 -1.17 -1.11 0.00 0.00 175.55 173.28 1jof s LEU 159 N 0.02 2.45 -0.14 -1.29 2.96 0.28 -1.89 118.68 121.07 1jof s LEU 159 Ca -0.02 -0.49 -0.04 0.00 -0.22 0.00 0.00 54.13 53.36 1jof s LEU 159 Cb -0.09 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 1jof s LEU 159 CO 0.01 0.07 0.00 -0.31 -1.32 0.00 0.00 176.35 174.80 1jof s TYR 160 N 0.90 3.13 -0.07 5.38 1.51 -0.17 -0.75 117.35 127.28 1jof s TYR 160 Ca -0.04 -0.04 0.05 0.00 -1.01 0.00 0.00 57.07 56.04 1jof s TYR 160 Cb -0.15 -1.94 -0.01 0.00 -0.11 0.00 0.00 41.96 39.75 1jof s TYR 160 CO -0.02 0.18 -0.24 -1.12 -1.11 0.00 0.00 175.55 173.25 1jof s SER 161 N -0.04 3.18 -0.47 2.29 0.01 -0.51 -1.71 113.70 116.45 1jof s SER 161 Ca 0.03 -0.49 -0.21 0.00 1.31 0.00 0.00 55.95 56.60 1jof s SER 161 Cb -0.13 -0.96 0.04 0.00 0.21 0.00 0.00 66.02 65.18 1jof s SER 161 CO 0.02 0.23 0.67 0.00 0.41 0.00 0.00 173.24 174.57 1jof s ALA 162 N -0.10 3.34 -0.67 1.44 0.00 -0.11 -1.58 121.76 124.07 1jof s ALA 162 Ca -0.05 -1.37 -0.17 0.00 0.00 0.00 0.00 51.96 50.36 1jof s ALA 162 Cb -0.14 -3.36 0.14 0.00 0.00 0.00 0.00 23.12 19.75 1jof s ALA 162 CO 0.04 -1.91 0.73 0.34 0.00 0.00 0.00 175.76 174.96 1jof s ASP 163 N 2.28 6.36 0.04 0.00 -1.08 0.09 -1.75 116.67 122.62 1jof s ASP 163 Ca 0.21 -1.85 -0.26 0.00 -0.52 0.00 0.00 52.55 50.14 1jof s ASP 163 Cb -0.15 -2.28 -0.17 0.00 -1.46 0.00 0.00 42.92 38.86 1jof s ASP 163 CO 0.17 -0.95 1.49 0.25 0.52 0.00 0.00 175.17 176.66 1jof h LEU 164 N 9.36 -0.22 -0.23 -1.34 6.46 -0.30 -0.64 115.31 128.39 1jof h LEU 164 Ca -0.15 -0.13 -0.13 0.00 -0.12 0.00 0.00 57.88 57.34 1jof h LEU 164 Cb 1.07 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 41.04 1jof h LEU 164 CO 1.02 0.01 -0.62 0.71 -0.62 0.00 0.00 178.44 178.93 1jof h THR 165 N -0.45 1.14 -0.01 1.05 1.35 -1.85 -3.09 112.91 111.06 1jof h THR 165 Ca -0.03 -2.41 0.00 0.00 -0.55 0.00 0.00 66.41 63.43 1jof h THR 165 Cb 0.34 2.43 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 1jof h THR 165 CO 0.04 0.61 -0.12 0.00 -0.25 0.00 0.00 175.52 175.80 1jof n ALA 166 N -2.29 2.81 -3.59 6.62 0.00 -1.23 -4.93 120.51 117.90 1jof n ALA 166 Ca 0.01 -0.43 -0.24 0.00 0.00 0.00 0.00 53.44 52.78 1jof n ALA 166 Cb 0.74 -1.14 0.05 0.00 0.00 0.00 0.00 19.45 19.09 1jof n ALA 166 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1jof n ASN 167 N -0.18 -3.97 -3.63 0.00 5.15 -0.32 -4.93 115.26 107.37 1jof n ASN 167 Ca 0.16 -0.87 -0.08 0.00 -0.60 0.00 0.00 54.58 53.18 1jof n ASN 167 Cb 0.36 -4.06 -0.02 0.00 -0.53 0.00 0.00 39.78 35.52 1jof n ASN 167 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1jof s LYS 168 N -5.62 1.85 -0.12 1.20 -2.85 -0.75 -1.48 119.74 111.97 1jof s LYS 168 Ca 0.28 -1.21 0.03 0.00 -1.00 0.00 0.00 55.97 54.07 1jof s LYS 168 Cb -0.08 0.57 0.01 0.00 -2.06 0.00 0.00 37.83 36.27 1jof s LYS 168 CO 0.81 -0.83 -0.23 -0.51 0.10 0.00 0.00 175.35 174.70 1jof s LEU 169 N -3.00 2.12 0.12 2.77 1.43 -0.01 -0.73 118.68 121.38 1jof s LEU 169 Ca 0.16 -0.58 0.03 0.00 -1.03 0.00 0.00 54.13 52.71 1jof s LEU 169 Cb -0.04 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 1jof s LEU 169 CO 0.09 0.12 0.16 0.26 0.23 0.00 0.00 176.35 177.21 1jof s TRP 170 N 0.61 3.28 -0.09 0.29 0.52 -0.62 -0.94 118.94 121.99 1jof s TRP 170 Ca -0.12 0.08 0.02 0.00 0.02 0.00 0.00 56.10 56.10 1jof s TRP 170 Cb -0.17 -1.61 0.01 0.00 -1.15 0.00 0.00 33.47 30.56 1jof s TRP 170 CO 0.03 0.53 -0.16 0.99 0.02 0.00 0.00 176.95 178.36 1jof s THR 171 N -1.61 1.48 0.13 2.01 2.01 0.10 -1.42 115.64 118.35 1jof s THR 171 Ca 0.32 -0.66 0.08 0.00 0.31 0.00 0.00 61.69 61.73 1jof s THR 171 Cb -0.11 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 1jof s THR 171 CO 0.25 0.44 -0.18 -1.00 -0.69 0.00 0.00 174.62 173.43 1jof s HIS 172 N 0.75 1.69 -0.18 4.92 3.76 0.07 -0.86 115.29 125.44 1jof s HIS 172 Ca -0.12 -0.47 -0.07 0.00 -0.15 0.00 0.00 55.06 54.25 1jof s HIS 172 Cb -0.16 -0.88 -0.04 0.00 1.11 0.00 0.00 32.58 32.61 1jof s HIS 172 CO 0.02 0.24 0.06 -0.98 -0.85 0.00 0.00 174.74 173.24 1jof s ARG 173 N -2.47 3.93 -0.26 1.40 3.03 0.70 -0.56 118.95 124.73 1jof s ARG 173 Ca 0.11 -0.34 -0.16 0.00 2.03 0.00 0.00 55.73 57.37 1jof s ARG 173 Cb -0.07 -3.20 -0.03 0.00 -1.03 0.00 0.00 34.95 30.62 1jof s ARG 173 CO 0.05 0.31 0.42 0.21 -1.13 0.00 0.00 175.30 175.16 1jof s LYS 174 N 0.27 4.06 0.84 3.89 2.20 0.13 -1.10 119.74 130.03 1jof s LYS 174 Ca 0.04 0.15 -0.12 0.00 -0.36 0.00 0.00 55.97 55.68 1jof s LYS 174 Cb -0.12 -3.64 0.10 0.00 -1.51 0.00 0.00 37.83 32.66 1jof s LYS 174 CO 0.00 -0.26 1.13 -0.51 -0.36 0.00 0.00 175.35 175.35 1jof s LEU 175 N 2.03 2.34 0.52 5.43 1.43 0.22 -4.81 118.68 125.85 1jof s LEU 175 Ca 0.17 1.03 0.17 0.00 -1.03 0.00 0.00 54.13 54.48 1jof s LEU 175 Cb -0.16 -3.50 1.31 0.00 0.03 0.00 0.00 46.19 43.87 1jof s LEU 175 CO 0.09 -2.16 2.15 0.00 0.23 0.00 0.00 176.35 176.66 1jof h ALA 176 N -1.23 1.93 0.00 4.21 0.00 -1.97 -1.35 119.26 120.85 1jof h ALA 176 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1jof h ALA 176 Cb 1.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1jof h ALA 176 CO 0.62 0.02 0.00 0.66 0.00 0.00 0.00 179.25 180.55 1jof h SER 177 N 0.00 0.00 0.00 0.00 4.64 -1.97 -3.42 113.55 112.80 1jof h SER 177 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jof h SER 177 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1jof h SER 177 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1jof n GLY 178 N -0.32 2.48 3.81 -0.77 0.00 -0.51 -4.83 105.19 105.04 1jof n GLY 178 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1jof n GLY 178 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jof s GLU 179 N -0.60 3.22 0.42 1.61 2.02 -1.26 -4.66 118.70 119.45 1jof s GLU 179 Ca 0.00 1.10 0.07 0.00 0.02 0.00 0.00 54.97 56.16 1jof s GLU 179 Cb 0.00 -2.02 -0.04 0.00 0.10 0.00 0.00 34.13 32.17 1jof s GLU 179 CO 0.00 -0.88 0.25 0.14 0.02 0.00 0.00 175.26 174.79 1jof s VAL 180 N -2.67 2.35 -0.19 2.63 -7.23 -1.26 0.71 120.40 114.74 1jof s VAL 180 Ca 0.61 -1.58 -0.12 0.00 -1.81 0.00 0.00 61.98 59.08 1jof s VAL 180 Cb -0.15 -2.93 0.06 0.00 0.56 0.00 0.00 36.38 33.92 1jof s VAL 180 CO 0.43 0.00 0.48 -0.70 -0.31 0.00 0.00 175.10 174.99 1jof s GLU 181 N -4.00 0.49 0.38 4.82 2.12 -0.26 -4.90 118.70 117.35 1jof s GLU 181 Ca 0.42 0.83 -0.28 0.00 0.36 0.00 0.00 54.97 56.31 1jof s GLU 181 Cb 0.01 0.08 -0.11 0.00 0.26 0.00 0.00 34.13 34.38 1jof s GLU 181 CO 0.24 -0.13 1.48 -0.11 -0.54 0.00 0.00 175.26 176.19 1jof n LEU 182 N 3.89 4.76 -0.03 2.70 7.94 -1.26 -0.22 117.00 134.78 1jof n LEU 182 Ca -0.20 1.22 -0.05 0.00 -1.11 0.00 0.00 56.01 55.86 1jof n LEU 182 Cb 0.56 -1.61 -0.02 0.00 0.53 0.00 0.00 43.42 42.88 1jof n LEU 182 CO 0.07 0.11 -0.68 0.52 -1.11 0.00 0.00 177.39 176.30 1jof n VAL 183 N 0.38 0.29 -1.69 1.96 0.31 -0.04 -4.78 118.33 114.75 1jof n VAL 183 Ca 0.02 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1jof n VAL 183 Cb 0.39 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 1jof n VAL 183 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jof n GLY 184 N 2.73 -1.50 3.39 2.92 0.00 -1.02 -5.00 105.19 106.72 1jof n GLY 184 Ca -0.10 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 1jof n GLY 184 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jof s SER 185 N -2.03 -0.08 -0.03 1.61 1.04 -1.26 0.00 113.70 112.95 1jof s SER 185 Ca 0.00 -0.67 -0.03 0.00 0.48 0.00 0.00 55.95 55.73 1jof s SER 185 Cb 0.00 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.61 1jof s SER 185 CO 0.00 -0.94 0.09 -0.69 0.98 0.00 0.00 173.24 172.69 1jof s VAL 186 N -3.91 0.00 0.50 5.02 1.01 -0.12 -4.96 120.40 117.94 1jof s VAL 186 Ca 0.12 -0.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.90 1jof s VAL 186 Cb 0.02 -0.14 -0.08 0.00 0.00 0.00 0.00 36.38 36.18 1jof s VAL 186 CO -0.03 -0.01 1.03 -1.81 0.00 0.00 0.00 175.10 174.29 1jof s ASP 187 N 0.03 6.28 0.73 3.32 1.01 -1.26 -0.83 116.67 125.95 1jof s ASP 187 Ca -0.00 1.88 -0.15 0.00 0.71 0.00 0.00 52.55 54.98 1jof s ASP 187 Cb -0.01 -2.55 0.04 0.00 1.01 0.00 0.00 42.92 41.41 1jof s ASP 187 CO 0.00 -0.82 1.22 0.00 0.21 0.00 0.00 175.17 175.78 1jof s ALA 188 N -2.11 2.13 0.29 5.23 0.00 -0.55 -4.84 121.76 121.92 1jof s ALA 188 Ca 0.66 0.92 0.04 0.00 0.00 0.00 0.00 51.96 53.58 1jof s ALA 188 Cb -0.16 -3.48 0.73 0.00 0.00 0.00 0.00 23.12 20.21 1jof s ALA 188 CO 0.23 -1.87 1.72 -1.35 0.00 0.00 0.00 175.76 174.49 1jof h PRO 189 N -0.24 0.50 -6.16 0.00 0.11 -1.94 -3.42 132.00 120.86 1jof h PRO 189 Ca -0.48 -0.03 -0.57 0.00 0.11 0.00 0.00 66.00 65.03 1jof h PRO 189 Cb 1.30 -0.11 -0.23 0.00 0.11 0.00 0.00 31.00 32.06 1jof h PRO 189 CO 0.50 0.33 -0.83 0.34 -0.21 0.00 0.00 178.00 178.13 1jof s ASP 190 N -5.25 2.54 0.54 -2.05 -1.08 -1.26 -5.02 116.67 105.09 1jof s ASP 190 Ca -0.11 -0.63 0.21 0.00 -0.52 0.00 0.00 52.55 51.50 1jof s ASP 190 Cb 0.25 -0.17 1.42 0.00 -1.46 0.00 0.00 42.92 42.97 1jof s ASP 190 CO 0.79 0.10 2.15 -0.65 0.52 0.00 0.00 175.17 178.07 1jof h PRO 191 N 4.37 0.00 -0.33 4.34 0.11 -1.98 -2.13 132.00 136.39 1jof h PRO 191 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1jof h PRO 191 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1jof h PRO 191 CO 0.41 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.61 1jof n GLY 192 N -1.50 0.75 0.24 -0.55 0.00 -1.26 -4.53 105.19 98.34 1jof n GLY 192 Ca -0.01 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 1jof n GLY 192 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jof h ASP 193 N 2.44 -0.48 -4.52 1.61 3.32 -1.72 -2.29 116.42 114.78 1jof h ASP 193 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1jof h ASP 193 Cb 0.55 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1jof h ASP 193 CO 0.00 -0.15 -0.52 1.41 -1.72 0.00 0.00 179.24 178.26 1jof n HIS 194 N -4.62 -2.60 -1.70 4.55 8.25 -1.26 -0.98 115.22 116.86 1jof n HIS 194 Ca -0.07 1.11 -0.43 0.00 -0.26 0.00 0.00 57.72 58.06 1jof n HIS 194 Cb 0.23 -3.27 -0.03 0.00 1.12 0.00 0.00 29.99 28.03 1jof n HIS 194 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1jof n PRO 195 N 0.08 2.56 0.00 -0.41 -0.02 -1.26 -0.14 135.00 135.81 1jof n PRO 195 Ca 0.04 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1jof n PRO 195 Cb 0.15 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 30.89 1jof n PRO 195 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1jof n ARG 196 N 3.68 3.05 -3.87 -0.52 0.63 -0.15 -1.50 116.66 117.98 1jof n ARG 196 Ca 0.16 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.99 1jof n ARG 196 Cb 0.33 -0.94 -0.09 0.00 0.45 0.00 0.00 32.46 32.20 1jof n ARG 196 CO 0.00 0.00 0.00 -0.46 -2.51 0.00 0.00 177.63 174.66 1jof s TRP 197 N -1.87 0.08 -0.04 -0.14 -0.11 -1.17 -3.00 118.94 112.69 1jof s TRP 197 Ca 0.00 -0.28 -0.03 0.00 1.22 0.00 0.00 56.10 57.01 1jof s TRP 197 Cb 0.00 -0.06 0.02 0.00 -1.50 0.00 0.00 33.47 31.93 1jof s TRP 197 CO 0.00 -0.38 0.10 0.14 -4.62 0.00 0.00 176.95 172.19 1jof s VAL 198 N -2.28 -0.01 0.00 5.86 -7.23 -1.26 -0.23 120.40 115.25 1jof s VAL 198 Ca -0.07 0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.14 1jof s VAL 198 Cb -0.03 -0.15 0.00 0.00 0.56 0.00 0.00 36.38 36.76 1jof s VAL 198 CO -0.03 0.02 0.00 0.00 -0.31 0.00 0.00 175.10 174.78 1jof n ALA 199 N 3.32 0.00 -2.71 1.32 0.00 -0.08 -4.52 120.51 117.84 1jof n ALA 199 Ca -0.16 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.10 1jof n ALA 199 Cb 0.57 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.89 1jof n ALA 199 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1jof s HIS 201 N 0.87 0.91 0.57 0.00 2.46 -0.72 -1.04 115.29 118.34 1jof s HIS 201 Ca 0.00 -0.30 0.28 0.00 0.47 0.00 0.00 55.06 55.50 1jof s HIS 201 Cb 0.00 -0.56 1.51 0.00 -0.13 0.00 0.00 32.58 33.40 1jof s HIS 201 CO 0.00 -0.01 1.99 -1.35 -2.47 0.00 0.00 174.74 172.91 1jof h PRO 202 N 5.22 0.00 0.00 2.88 0.11 -1.92 -0.64 132.00 137.65 1jof h PRO 202 Ca -0.34 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.75 1jof h PRO 202 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1jof h PRO 202 CO 0.45 0.00 -0.07 1.79 -0.21 0.00 0.00 178.00 179.96 1jof h THR 203 N 0.00 0.13 0.00 -1.15 1.35 -1.92 -3.45 112.91 107.87 1jof h THR 203 Ca 0.19 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 1jof h THR 203 Cb 0.91 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 1jof h THR 203 CO -0.00 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 1jof n GLY 204 N 0.90 0.74 0.08 5.82 0.00 -0.25 -4.92 105.19 107.56 1jof n GLY 204 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1jof n GLY 204 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jof h ASN 205 N 0.00 0.15 -4.17 1.61 2.35 -1.83 -3.43 115.58 110.25 1jof h ASN 205 Ca 0.00 -0.17 -0.39 0.00 -0.55 0.00 0.00 56.30 55.19 1jof h ASN 205 Cb 0.00 -0.05 -0.18 0.00 0.05 0.00 0.00 38.32 38.14 1jof h ASN 205 CO 0.00 1.13 -0.75 -0.31 -1.65 0.00 0.00 177.43 175.85 1jof s TYR 206 N -2.68 1.29 0.02 1.19 1.51 -1.26 -0.81 117.35 116.60 1jof s TYR 206 Ca -0.01 -0.58 0.03 0.00 -1.01 0.00 0.00 57.07 55.50 1jof s TYR 206 Cb 0.09 -0.68 -0.01 0.00 -0.11 0.00 0.00 41.96 41.24 1jof s TYR 206 CO 0.84 0.10 -0.09 -1.17 -1.11 0.00 0.00 175.55 174.12 1jof s LEU 207 N -2.40 2.11 -0.13 -1.29 0.20 -0.30 -1.75 118.68 115.12 1jof s LEU 207 Ca 0.07 -0.31 0.03 0.00 0.69 0.00 0.00 54.13 54.61 1jof s LEU 207 Cb -0.05 -0.35 0.00 0.00 -0.43 0.00 0.00 46.19 45.37 1jof s LEU 207 CO 0.02 -0.01 -0.22 -0.31 -0.29 0.00 0.00 176.35 175.54 1jof s TYR 208 N -0.64 2.64 -0.21 5.38 1.51 -0.21 -1.07 117.35 124.75 1jof s TYR 208 Ca -0.01 -1.18 -0.03 0.00 -1.01 0.00 0.00 57.07 54.83 1jof s TYR 208 Cb -0.06 -1.78 -0.01 0.00 -0.11 0.00 0.00 41.96 40.00 1jof s TYR 208 CO 0.00 -0.51 -0.06 0.00 -1.11 0.00 0.00 175.55 173.87 1jof s ALA 209 N 0.62 2.77 0.61 3.71 0.00 -0.54 -0.91 121.76 128.02 1jof s ALA 209 Ca -0.12 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1jof s ALA 209 Cb -0.16 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.32 1jof s ALA 209 CO 0.03 -0.39 0.00 -0.11 0.00 0.00 0.00 175.76 175.29 1jof n LEU 210 N 4.71 0.00 0.09 0.00 0.00 0.68 -1.09 117.00 121.39 1jof n LEU 210 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.83 1jof n LEU 210 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.93 1jof n LEU 210 CO 0.29 -0.02 -0.02 1.21 0.00 0.00 0.00 177.39 178.85 1jof n GLU 212 N -0.04 0.00 0.13 1.96 2.13 0.80 -0.98 120.64 124.65 1jof n GLU 212 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 1jof n GLU 212 Cb 0.00 -0.28 0.16 0.00 0.27 0.00 0.00 31.44 31.59 1jof n GLU 212 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jof h ALA 213 N 0.00 0.92 0.00 4.31 0.00 -1.22 -1.62 119.26 121.65 1jof h ALA 213 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1jof h ALA 213 Cb 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1jof h ALA 213 CO 0.00 0.78 0.00 0.41 0.00 0.00 0.00 179.25 180.44 1jof n GLY 214 N 0.36 -1.55 3.79 0.00 0.00 -0.44 -4.88 105.19 102.46 1jof n GLY 214 Ca -0.01 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 1jof n GLY 214 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jof n ASN 215 N -2.07 -5.03 -3.55 1.61 3.02 -1.13 -4.90 115.26 103.21 1jof n ASN 215 Ca 0.05 -1.10 -0.09 0.00 -0.03 0.00 0.00 54.58 53.42 1jof n ASN 215 Cb 0.36 -2.89 -0.02 0.00 -0.61 0.00 0.00 39.78 36.62 1jof n ASN 215 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jof s ARG 216 N -6.38 1.12 -0.19 3.52 1.70 -1.26 -1.52 118.95 115.95 1jof s ARG 216 Ca 0.48 -0.48 -0.06 0.00 -0.47 0.00 0.00 55.73 55.20 1jof s ARG 216 Cb -0.20 0.47 -0.03 0.00 -0.57 0.00 0.00 34.95 34.62 1jof s ARG 216 CO 0.89 -0.50 0.02 0.42 -1.08 0.00 0.00 175.30 175.06 1jof s ILE 217 N -3.42 4.32 -0.07 4.99 -1.09 0.08 -4.47 121.20 121.54 1jof s ILE 217 Ca 0.05 -0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.28 1jof s ILE 217 Cb -0.02 -2.94 -0.03 0.00 -1.58 0.00 0.00 42.46 37.89 1jof s ILE 217 CO -0.07 0.45 -0.05 0.00 -1.23 0.00 0.00 174.94 174.04 1jof s GLU 219 N -0.78 4.18 -0.03 0.00 2.12 -0.35 -1.47 118.70 122.37 1jof s GLU 219 Ca 0.12 0.37 0.04 0.00 0.36 0.00 0.00 54.97 55.86 1jof s GLU 219 Cb -0.11 -3.36 -0.00 0.00 0.26 0.00 0.00 34.13 30.92 1jof s GLU 219 CO 0.02 0.36 -0.14 0.71 -0.54 0.00 0.00 175.26 175.67 1jof s TYR 220 N 0.01 1.35 -0.05 5.30 1.51 -0.23 -1.89 117.35 123.34 1jof s TYR 220 Ca 0.23 -0.34 -0.06 0.00 -1.01 0.00 0.00 57.07 55.89 1jof s TYR 220 Cb -0.15 -0.91 -0.04 0.00 -0.11 0.00 0.00 41.96 40.74 1jof s TYR 220 CO 0.10 -0.11 0.20 0.54 -1.11 0.00 0.00 175.55 175.17 1jof s VAL 221 N 0.00 5.41 -0.30 0.71 0.11 0.26 -1.15 120.40 125.44 1jof s VAL 221 Ca -0.01 0.12 -0.19 0.00 -2.93 0.00 0.00 61.98 58.96 1jof s VAL 221 Cb -0.09 -3.50 -0.01 0.00 -1.53 0.00 0.00 36.38 31.25 1jof s VAL 221 CO 0.01 0.47 0.59 -0.63 -3.33 0.00 0.00 175.10 172.20 1jof s ILE 222 N -1.19 4.98 -0.20 7.04 1.01 0.01 -0.22 121.20 132.63 1jof s ILE 222 Ca 0.22 0.79 -0.29 0.00 0.00 0.00 0.00 60.65 61.37 1jof s ILE 222 Cb -0.13 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.36 1jof s ILE 222 CO 0.12 -0.10 1.62 -0.62 0.00 0.00 0.00 174.94 175.96 1jof s ASP 223 N 1.64 6.42 0.57 3.58 -1.08 -1.26 -4.88 116.67 121.66 1jof s ASP 223 Ca 0.23 1.71 0.33 0.00 -0.52 0.00 0.00 52.55 54.30 1jof s ASP 223 Cb -0.15 -2.53 1.72 0.00 -1.46 0.00 0.00 42.92 40.50 1jof s ASP 223 CO 0.11 -1.21 2.16 1.55 0.52 0.00 0.00 175.17 178.30 1jof h PRO 224 N 10.56 0.00 -0.29 4.34 0.13 -1.95 1.00 132.00 145.79 1jof h PRO 224 Ca -0.34 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.74 1jof h PRO 224 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1jof h PRO 224 CO 0.99 0.06 -0.01 0.00 -0.23 0.00 0.00 178.00 178.81 1jof h ALA 225 N 1.94 0.39 0.00 -0.56 0.00 -2.04 -3.36 119.26 115.63 1jof h ALA 225 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1jof h ALA 225 Cb 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1jof h ALA 225 CO 0.01 0.15 -1.18 0.25 0.00 0.00 0.00 179.25 178.48 1jof n THR 226 N -4.57 0.00 -1.70 0.00 -2.24 -1.06 -5.27 114.28 99.44 1jof n THR 226 Ca -0.03 -0.23 -0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1jof n THR 226 Cb 0.27 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 1jof n THR 226 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1jof n HIS 227 N -1.67 -0.40 -5.10 4.78 -0.00 0.34 -5.02 115.22 108.15 1jof n HIS 227 Ca -0.01 0.15 -0.29 0.00 -0.00 0.00 0.00 57.72 57.57 1jof n HIS 227 Cb 0.21 -1.84 -0.16 0.00 -0.00 0.00 0.00 29.99 28.20 1jof n HIS 227 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1jof s PRO 229 N -2.80 2.18 -0.11 -0.41 0.04 -1.26 -4.77 135.00 127.87 1jof s PRO 229 Ca 0.00 -0.79 0.03 0.00 0.04 0.00 0.00 61.00 60.29 1jof s PRO 229 Cb -0.00 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1jof s PRO 229 CO 0.10 0.35 -0.23 0.08 0.04 0.00 0.00 177.00 177.34 1jof s VAL 230 N -0.15 2.09 0.15 -0.36 1.01 0.69 -4.93 120.40 118.90 1jof s VAL 230 Ca -0.02 -1.00 -0.31 0.00 0.00 0.00 0.00 61.98 60.65 1jof s VAL 230 Cb -0.12 -1.81 -0.09 0.00 0.00 0.00 0.00 36.38 34.36 1jof s VAL 230 CO 0.02 0.56 1.44 -0.47 0.00 0.00 0.00 175.10 176.65 1jof s TYR 231 N 0.46 3.18 -1.41 5.22 5.04 -1.26 -0.58 117.35 128.00 1jof s TYR 231 Ca -0.16 0.88 0.26 0.00 -2.44 0.00 0.00 57.07 55.61 1jof s TYR 231 Cb -0.17 -3.76 0.62 0.00 0.35 0.00 0.00 41.96 38.99 1jof s TYR 231 CO 0.06 -2.67 1.48 0.25 -1.34 0.00 0.00 175.55 173.33 1jof n THR 232 N 3.74 0.00 -0.77 4.34 -2.24 -0.80 -4.91 114.28 113.65 1jof n THR 232 Ca 0.11 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1jof n THR 232 Cb 0.41 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 1jof n THR 232 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1jof n HIS 233 N -1.04 0.00 -3.60 4.78 8.25 -1.26 -5.03 115.22 117.32 1jof n HIS 233 Ca 0.09 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.18 1jof n HIS 233 Cb 0.34 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.37 1jof n HIS 233 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1jof s HIS 234 N -2.68 3.35 0.05 4.41 3.76 -1.26 -5.03 115.29 117.89 1jof s HIS 234 Ca 0.00 0.36 -0.01 0.00 -0.15 0.00 0.00 55.06 55.26 1jof s HIS 234 Cb 0.00 -2.32 -0.04 0.00 1.11 0.00 0.00 32.58 31.34 1jof s HIS 234 CO 0.00 0.10 -0.03 -1.54 -0.85 0.00 0.00 174.74 172.41 1jof s SER 235 N 0.90 0.53 0.01 1.40 1.04 -1.26 -1.21 113.70 115.11 1jof s SER 235 Ca 0.11 -0.94 0.02 0.00 0.48 0.00 0.00 55.95 55.61 1jof s SER 235 Cb -0.13 0.18 -0.01 0.00 0.10 0.00 0.00 66.02 66.15 1jof s SER 235 CO 0.04 -0.55 -0.06 -0.36 0.98 0.00 0.00 173.24 173.30 1jof s PHE 236 N -3.59 0.49 0.29 5.02 0.40 -0.22 -4.94 117.98 115.43 1jof s PHE 236 Ca 0.05 -0.22 -0.29 0.00 -0.60 0.00 0.00 56.93 55.87 1jof s PHE 236 Cb 0.06 -0.31 -0.10 0.00 0.51 0.00 0.00 43.02 43.18 1jof s PHE 236 CO -0.08 -0.04 1.15 -1.25 0.70 0.00 0.00 175.22 175.70 1jof s PRO 237 N -0.59 4.58 0.00 0.24 0.04 -1.26 -0.74 135.00 137.27 1jof s PRO 237 Ca -0.02 1.89 0.15 0.00 0.04 0.00 0.00 61.00 63.07 1jof s PRO 237 Cb -0.05 -3.16 0.09 0.00 0.04 0.00 0.00 34.50 31.42 1jof s PRO 237 CO -0.00 0.12 0.95 1.28 0.04 0.00 0.00 177.00 179.39 1jof n LEU 238 N 1.13 2.13 -4.05 -3.56 4.32 -0.57 -4.87 117.00 111.52 1jof n LEU 238 Ca -0.01 -0.94 -0.09 0.00 -0.02 0.00 0.00 56.01 54.95 1jof n LEU 238 Cb 0.44 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.14 1jof n LEU 238 CO 0.55 0.39 -0.37 0.27 -1.22 0.00 0.00 177.39 177.01 1jof s ILE 239 N -1.42 0.26 0.17 -0.08 -4.36 -1.26 -4.58 121.20 109.93 1jof s ILE 239 Ca 0.17 -1.39 -0.34 0.00 -0.26 0.00 0.00 60.65 58.84 1jof s ILE 239 Cb 0.13 -0.94 -0.14 0.00 1.25 0.00 0.00 42.46 42.77 1jof s ILE 239 CO 0.24 -0.72 1.60 -2.65 0.24 0.00 0.00 174.94 173.65 1jof n PRO 240 N 0.83 2.26 -1.67 0.37 -0.02 -1.26 -4.90 135.00 130.62 1jof n PRO 240 Ca -0.19 0.82 -0.46 0.00 -2.02 0.00 0.00 63.50 61.65 1jof n PRO 240 Cb 0.58 -2.60 -0.04 0.00 -0.02 0.00 0.00 33.50 31.42 1jof n PRO 240 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1jof n PRO 241 N 3.52 2.09 0.00 0.52 -0.02 -1.26 -1.47 135.00 138.38 1jof n PRO 241 Ca 0.17 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1jof n PRO 241 Cb 0.30 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 1jof n PRO 241 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jof n GLY 242 N 3.18 2.48 3.71 -1.23 0.00 -1.26 -5.01 105.19 107.06 1jof n GLY 242 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1jof n GLY 242 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1jof n ILE 243 N -2.00 1.53 -1.68 -0.61 3.06 -0.54 -4.83 119.36 114.29 1jof n ILE 243 Ca 0.00 -0.38 -0.45 0.00 -2.50 0.00 0.00 62.75 59.42 1jof n ILE 243 Cb 0.00 -1.70 -0.04 0.00 0.54 0.00 0.00 39.64 38.45 1jof n ILE 243 CO 0.00 0.00 0.00 -2.65 -2.50 0.00 0.00 176.55 171.40 1jof n PRO 244 N 1.24 2.48 -1.19 9.51 -0.02 -1.26 -4.87 135.00 140.90 1jof n PRO 244 Ca 0.07 0.91 0.05 0.00 -2.02 0.00 0.00 63.50 62.50 1jof n PRO 244 Cb 0.35 -2.78 0.07 0.00 -0.02 0.00 0.00 33.50 31.13 1jof n PRO 244 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1jof n ASP 245 N 6.04 1.18 -4.07 2.55 5.75 -1.26 -4.93 116.55 121.81 1jof n ASP 245 Ca 0.20 -2.56 -0.29 0.00 -0.01 0.00 0.00 54.79 52.14 1jof n ASP 245 Cb 0.34 -0.36 -0.17 0.00 -1.03 0.00 0.00 41.12 39.90 1jof n ASP 245 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1jof s ARG 246 N -0.96 2.28 -0.22 0.11 0.52 -1.26 -1.51 118.95 117.91 1jof s ARG 246 Ca 0.34 -0.59 -0.29 0.00 -0.52 0.00 0.00 55.73 54.67 1jof s ARG 246 Cb 0.37 -1.91 -0.02 0.00 0.52 0.00 0.00 34.95 33.91 1jof s ARG 246 CO -0.13 -0.04 1.50 0.34 0.02 0.00 0.00 175.30 176.99 1jof s ASP 247 N 0.92 6.54 0.46 0.23 -1.08 0.14 -4.86 116.67 119.01 1jof s ASP 247 Ca -0.08 1.58 0.12 0.00 -0.52 0.00 0.00 52.55 53.65 1jof s ASP 247 Cb -0.15 -2.53 1.05 0.00 -1.46 0.00 0.00 42.92 39.82 1jof s ASP 247 CO -0.01 -1.13 2.08 -0.65 0.52 0.00 0.00 175.17 175.98 1jof h PRO 248 N 9.99 0.22 -0.81 4.34 0.11 -1.96 2.81 132.00 146.71 1jof h PRO 248 Ca -0.32 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 1jof h PRO 248 Cb 1.14 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1jof h PRO 248 CO 1.00 0.18 0.01 0.39 -0.21 0.00 0.00 178.00 179.37 1jof n GLU 249 N -4.47 2.79 0.00 1.05 4.71 -1.26 -4.27 120.64 119.19 1jof n GLU 249 Ca -0.01 -1.46 0.00 0.00 -0.01 0.00 0.00 57.16 55.68 1jof n GLU 249 Cb 0.11 -1.85 0.00 0.00 -1.01 0.00 0.00 31.44 28.69 1jof n GLU 249 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1jof n THR 250 N 0.28 0.00 0.00 2.62 -1.04 0.01 -4.96 114.28 111.19 1jof n THR 250 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1jof n THR 250 Cb 0.70 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.21 1jof n THR 250 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jof n GLY 251 N 0.00 0.31 3.82 3.41 0.00 0.92 -4.91 105.19 108.75 1jof n GLY 251 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1jof n GLY 251 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jof s LYS 252 N 0.00 3.95 0.93 1.61 0.00 -1.26 -4.63 119.74 120.34 1jof s LYS 252 Ca 0.00 1.09 -0.12 0.00 0.00 0.00 0.00 55.97 56.95 1jof s LYS 252 Cb 0.00 -2.13 0.09 0.00 0.00 0.00 0.00 37.83 35.78 1jof s LYS 252 CO 0.00 -0.27 0.77 0.41 0.00 0.00 0.00 175.35 176.26 1jof n GLY 253 N -1.01 -1.20 0.05 0.59 0.00 -1.26 -0.69 105.19 101.67 1jof n GLY 253 Ca 0.07 -0.72 0.11 0.00 0.00 0.00 0.00 46.02 45.49 1jof n GLY 253 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jof n LEU 254 N -2.68 0.35 -4.30 0.99 4.77 -0.57 -4.51 117.00 111.04 1jof n LEU 254 Ca 0.09 0.10 -0.28 0.00 -0.03 0.00 0.00 56.01 55.89 1jof n LEU 254 Cb 0.53 -0.03 -0.15 0.00 -2.33 0.00 0.00 43.42 41.44 1jof n LEU 254 CO 0.50 -0.06 -0.55 -0.31 -1.33 0.00 0.00 177.39 175.64 1jof s TYR 255 N -3.44 2.12 -0.18 -1.77 1.51 -1.26 0.04 117.35 114.37 1jof s TYR 255 Ca -0.04 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.59 1jof s TYR 255 Cb 0.13 -1.27 0.06 0.00 -0.11 0.00 0.00 41.96 40.76 1jof s TYR 255 CO 0.86 0.10 0.05 1.03 -1.11 0.00 0.00 175.55 176.48 1jof s ARG 256 N -1.17 0.51 0.68 -0.62 0.52 -0.30 -4.75 118.95 113.82 1jof s ARG 256 Ca 0.10 -0.33 -0.17 0.00 -0.52 0.00 0.00 55.73 54.82 1jof s ARG 256 Cb -0.09 -2.01 -0.01 0.00 0.52 0.00 0.00 34.95 33.36 1jof s ARG 256 CO 0.02 -0.64 1.07 0.00 0.02 0.00 0.00 175.30 175.77 1jof n ALA 257 N 5.11 0.28 -0.96 2.13 0.00 -0.62 -1.52 120.51 124.92 1jof n ALA 257 Ca -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1jof n ALA 257 Cb 0.48 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1jof n ALA 257 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jof n ASP 258 N -1.61 0.00 -4.14 0.00 2.03 0.16 -4.55 116.55 108.44 1jof n ASP 258 Ca 0.14 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.34 1jof n ASP 258 Cb 0.49 -0.01 -0.10 0.00 -0.72 0.00 0.00 41.12 40.77 1jof n ASP 258 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1jof s VAL 259 N -0.04 0.67 0.00 5.18 1.01 -1.24 -4.63 120.40 121.35 1jof s VAL 259 Ca 0.00 -1.68 0.01 0.00 0.00 0.00 0.00 61.98 60.31 1jof s VAL 259 Cb 0.00 -1.37 -0.00 0.00 0.00 0.00 0.00 36.38 35.01 1jof s VAL 259 CO 0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 175.10 174.34 1jof s ALA 261 N -0.22 -1.18 0.41 0.00 0.00 0.14 -4.71 121.76 116.20 1jof s ALA 261 Ca 0.00 1.25 -0.15 0.00 0.00 0.00 0.00 51.96 53.05 1jof s ALA 261 Cb -0.02 -0.66 -0.08 0.00 0.00 0.00 0.00 23.12 22.36 1jof s ALA 261 CO -0.00 -0.24 0.85 -0.51 0.00 0.00 0.00 175.76 175.86 1jof s LEU 262 N 0.02 3.86 0.78 0.00 1.02 -1.26 -1.21 118.68 121.89 1jof s LEU 262 Ca -0.02 1.40 -0.09 0.00 0.02 0.00 0.00 54.13 55.44 1jof s LEU 262 Cb -0.03 -4.26 0.10 0.00 0.02 0.00 0.00 46.19 42.01 1jof s LEU 262 CO 0.02 -0.38 1.11 0.42 0.02 0.00 0.00 176.35 177.53 1jof s THR 263 N -2.29 2.15 0.24 5.49 -4.23 -0.39 -4.81 115.64 111.79 1jof s THR 263 Ca 0.56 -0.20 -0.09 0.00 -1.18 0.00 0.00 61.69 60.79 1jof s THR 263 Cb -0.10 -2.95 0.26 0.00 1.34 0.00 0.00 72.50 71.05 1jof s THR 263 CO 0.24 0.00 1.64 0.15 -0.54 0.00 0.00 174.62 176.10 1jof h PHE 264 N -0.90 -0.10 0.00 3.99 3.57 -1.81 -1.62 116.94 120.08 1jof h PHE 264 Ca -0.44 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.12 1jof h PHE 264 Cb 1.30 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 40.19 1jof h PHE 264 CO -0.03 -0.24 -0.00 0.66 -2.23 0.00 0.00 178.31 176.47 1jof h SER 265 N 0.09 0.00 0.00 0.41 4.64 -1.92 -3.47 113.55 113.30 1jof h SER 265 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1jof h SER 265 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1jof h SER 265 CO -0.65 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 175.93 1jof n GLY 266 N 0.33 0.85 0.08 -0.77 0.00 -0.61 -4.88 105.19 100.19 1jof n GLY 266 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1jof n GLY 266 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jof h LYS 267 N 2.95 0.00 0.00 1.61 1.57 -1.85 -3.44 116.57 117.41 1jof h LYS 267 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jof h LYS 267 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1jof h LYS 267 CO 0.00 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.54 1jof n TYR 268 N -2.19 0.00 -3.68 -1.35 4.02 -1.26 -0.51 117.16 112.19 1jof n TYR 268 Ca 0.04 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.79 1jof n TYR 268 Cb 0.44 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.69 1jof n TYR 268 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1jof s PHE 270 N -0.62 -0.31 0.14 -0.72 0.40 -0.35 -1.26 117.98 115.26 1jof s PHE 270 Ca 0.00 0.43 -0.08 0.00 -0.60 0.00 0.00 56.93 56.68 1jof s PHE 270 Cb 0.00 0.20 -0.01 0.00 0.51 0.00 0.00 43.02 43.72 1jof s PHE 270 CO 0.00 -0.50 0.23 0.00 0.70 0.00 0.00 175.22 175.65 1jof s ALA 271 N -1.71 0.05 0.22 5.36 0.00 -0.10 -0.68 121.76 124.89 1jof s ALA 271 Ca -0.10 -0.89 -0.10 0.00 0.00 0.00 0.00 51.96 50.87 1jof s ALA 271 Cb -0.03 0.77 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 1jof s ALA 271 CO 0.03 -0.59 0.36 -1.54 0.00 0.00 0.00 175.76 174.02 1jof s SER 272 N -2.95 -0.02 0.03 0.00 1.04 -0.12 -0.16 113.70 111.52 1jof s SER 272 Ca 0.15 -1.01 -0.13 0.00 0.48 0.00 0.00 55.95 55.44 1jof s SER 272 Cb 0.04 0.51 0.02 0.00 0.10 0.00 0.00 66.02 66.69 1jof s SER 272 CO -0.03 -1.03 0.27 -0.94 0.98 0.00 0.00 173.24 172.50 1jof s SER 273 N -3.04 -0.10 0.25 7.02 1.04 -0.27 0.36 113.70 118.96 1jof s SER 273 Ca 0.25 -0.18 0.11 0.00 0.48 0.00 0.00 55.95 56.60 1jof s SER 273 Cb 0.02 0.33 -0.05 0.00 0.10 0.00 0.00 66.02 66.42 1jof s SER 273 CO 0.08 -0.56 -0.13 0.00 0.98 0.00 0.00 173.24 173.60 1jof s ARG 274 N -2.30 1.89 0.12 4.02 1.70 -0.58 -1.29 118.95 122.52 1jof s ARG 274 Ca -0.07 -1.55 -0.03 0.00 -0.47 0.00 0.00 55.73 53.60 1jof s ARG 274 Cb -0.02 -1.95 -0.05 0.00 -0.57 0.00 0.00 34.95 32.35 1jof s ARG 274 CO -0.02 0.37 0.33 0.00 -1.08 0.00 0.00 175.30 174.90 1jof s ALA 275 N -2.21 3.85 -1.51 7.88 0.00 0.02 -1.15 121.76 128.66 1jof s ALA 275 Ca 0.28 -0.64 0.28 0.00 0.00 0.00 0.00 51.96 51.88 1jof s ALA 275 Cb -0.06 -2.04 1.17 0.00 0.00 0.00 0.00 23.12 22.19 1jof s ALA 275 CO 0.16 0.72 1.83 0.09 0.00 0.00 0.00 175.76 178.55 1jof n ASN 276 N 0.13 0.41 -4.22 0.00 3.02 0.11 -4.48 115.26 110.23 1jof n ASN 276 Ca -0.03 -0.41 -0.26 0.00 -0.03 0.00 0.00 54.58 53.85 1jof n ASN 276 Cb 0.51 -0.10 -0.15 0.00 -0.61 0.00 0.00 39.78 39.44 1jof n ASN 276 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1jof s LYS 277 N -2.58 1.55 0.53 3.52 1.02 -1.26 -5.04 119.74 117.48 1jof s LYS 277 Ca 0.26 -0.78 0.26 0.00 0.02 0.00 0.00 55.97 55.73 1jof s LYS 277 Cb 0.20 -1.54 1.51 0.00 -0.52 0.00 0.00 37.83 37.47 1jof s LYS 277 CO 0.50 0.41 2.12 0.74 -0.92 0.00 0.00 175.35 178.20 1jof h PHE 278 N 5.42 0.00 -0.00 3.18 -1.00 -1.98 -1.88 116.94 120.68 1jof h PHE 278 Ca -0.40 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.38 1jof h PHE 278 Cb 1.15 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.71 1jof h PHE 278 CO 0.43 0.09 -0.01 -0.85 -1.61 0.00 0.00 178.31 176.36 1jof n GLU 279 N -3.79 0.78 -4.03 1.51 0.00 -1.26 -4.49 120.64 109.36 1jof n GLU 279 Ca -0.02 -0.06 -0.28 0.00 0.00 0.00 0.00 57.16 56.80 1jof n GLU 279 Cb 0.19 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.08 1jof n GLU 279 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1jof s LEU 280 N -2.26 3.97 0.16 -1.84 1.43 -0.71 -5.06 118.68 114.37 1jof s LEU 280 Ca 0.38 0.00 -0.10 0.00 -1.03 0.00 0.00 54.13 53.39 1jof s LEU 280 Cb 0.21 -2.59 -0.07 0.00 0.03 0.00 0.00 46.19 43.78 1jof s LEU 280 CO 0.41 0.11 0.48 -1.10 0.23 0.00 0.00 176.35 176.48 1jof s GLN 281 N -2.86 3.79 0.34 1.70 -0.21 -1.26 -3.07 119.66 118.09 1jof s GLN 281 Ca 0.32 0.22 -0.01 0.00 0.02 0.00 0.00 55.36 55.91 1jof s GLN 281 Cb -0.11 -2.81 0.07 0.00 1.00 0.00 0.00 33.01 31.15 1jof s GLN 281 CO 0.24 0.43 0.46 0.41 -2.12 0.00 0.00 175.29 174.71 1jof n GLY 282 N 0.31 0.45 3.04 3.09 0.00 -0.37 -4.48 105.19 107.21 1jof n GLY 282 Ca -0.03 -1.95 -0.08 0.00 0.00 0.00 0.00 46.02 43.96 1jof n GLY 282 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jof s TYR 283 N -1.37 0.41 -0.01 1.61 1.51 -0.41 -1.05 117.35 118.04 1jof s TYR 283 Ca 0.30 -0.76 0.04 0.00 -1.01 0.00 0.00 57.07 55.64 1jof s TYR 283 Cb -0.02 -0.29 -0.01 0.00 -0.11 0.00 0.00 41.96 41.53 1jof s TYR 283 CO 0.20 -0.26 -0.14 -1.50 -1.11 0.00 0.00 175.55 172.74 1jof s ILE 284 N -2.54 1.07 0.11 2.71 2.07 0.11 -1.12 121.20 123.61 1jof s ILE 284 Ca -0.05 -0.62 0.04 0.00 -1.41 0.00 0.00 60.65 58.61 1jof s ILE 284 Cb -0.02 -0.90 -0.04 0.00 0.13 0.00 0.00 42.46 41.63 1jof s ILE 284 CO -0.05 0.27 -0.11 0.00 -1.91 0.00 0.00 174.94 173.14 1jof s ALA 285 N -0.37 1.25 0.00 1.50 0.00 0.77 -1.13 121.76 123.78 1jof s ALA 285 Ca 0.05 -1.26 0.04 0.00 0.00 0.00 0.00 51.96 50.79 1jof s ALA 285 Cb -0.05 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 1jof s ALA 285 CO -0.00 -0.02 -0.14 0.20 0.00 0.00 0.00 175.76 175.80 1jof s GLY 286 N -2.57 0.70 0.06 0.00 0.00 -0.77 -0.92 107.32 103.82 1jof s GLY 286 Ca 0.08 -0.65 0.04 0.00 0.00 0.00 0.00 44.72 44.19 1jof s GLY 286 CO 0.01 -0.57 -0.12 -1.36 0.00 0.00 0.00 173.10 171.06 1jof s PHE 287 N -0.45 1.04 -0.10 1.90 0.40 -1.26 -0.27 117.98 119.24 1jof s PHE 287 Ca 0.04 -0.47 -0.02 0.00 -0.60 0.00 0.00 56.93 55.88 1jof s PHE 287 Cb -0.06 -0.59 -0.03 0.00 0.51 0.00 0.00 43.02 42.84 1jof s PHE 287 CO -0.00 0.01 0.00 0.21 0.70 0.00 0.00 175.22 176.14 1jof s LYS 288 N -1.67 3.13 -0.12 0.44 2.20 -0.71 -4.30 119.74 118.70 1jof s LYS 288 Ca -0.04 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.15 1jof s LYS 288 Cb -0.10 -2.83 -0.02 0.00 -1.51 0.00 0.00 37.83 33.37 1jof s LYS 288 CO 0.02 0.62 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.99 1jof s LEU 289 N -0.65 2.73 0.79 5.43 1.43 0.33 -0.80 118.68 127.94 1jof s LEU 289 Ca 0.10 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 52.79 1jof s LEU 289 Cb -0.12 -1.61 0.07 0.00 0.03 0.00 0.00 46.19 44.57 1jof s LEU 289 CO 0.02 0.19 1.11 -0.13 0.23 0.00 0.00 176.35 177.77 1jof s ARG 290 N 0.22 2.02 0.54 1.70 0.52 -0.23 -4.75 118.95 118.97 1jof s ARG 290 Ca -0.08 1.29 0.23 0.00 -0.52 0.00 0.00 55.73 56.65 1jof s ARG 290 Cb -0.15 -1.86 1.48 0.00 0.52 0.00 0.00 34.95 34.93 1jof s ARG 290 CO 0.05 -1.84 2.16 -0.44 0.02 0.00 0.00 175.30 175.25 1jof h ASP 291 N -1.18 0.00 1.30 0.23 3.32 -1.95 -1.51 116.42 116.64 1jof h ASP 291 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1jof h ASP 291 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1jof h ASP 291 CO 0.49 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 178.06 1jof n GLY 293 N 1.30 1.97 3.74 0.00 0.00 -0.57 -4.60 105.19 107.03 1jof n GLY 293 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1jof n GLY 293 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jof s SER 294 N -1.59 3.98 -0.35 1.61 1.04 -1.26 -4.68 113.70 112.45 1jof s SER 294 Ca 0.00 1.95 -0.26 0.00 0.48 0.00 0.00 55.95 58.13 1jof s SER 294 Cb 0.00 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.60 1jof s SER 294 CO 0.00 -2.39 0.91 -0.63 0.98 0.00 0.00 173.24 172.11 1jof s ILE 295 N -2.81 4.62 0.03 -1.02 1.01 -1.26 -1.07 121.20 120.71 1jof s ILE 295 Ca 0.63 1.22 -0.22 0.00 0.00 0.00 0.00 60.65 62.28 1jof s ILE 295 Cb -0.19 -4.30 -0.15 0.00 0.01 0.00 0.00 42.46 37.83 1jof s ILE 295 CO 0.56 -0.47 1.40 -0.08 0.00 0.00 0.00 174.94 176.35 1jof h GLU 296 N 8.37 0.22 -1.95 2.79 4.81 -1.30 -3.47 114.58 124.05 1jof h GLU 296 Ca -0.23 -0.09 0.19 0.00 -0.13 0.00 0.00 59.36 59.10 1jof h GLU 296 Cb 1.08 -0.01 -0.14 0.00 0.63 0.00 0.00 28.75 30.31 1jof h GLU 296 CO 0.96 0.55 0.63 -1.59 -0.73 0.00 0.00 179.01 178.83 1jof s LYS 297 N -4.64 0.69 -0.25 1.92 -2.85 -1.22 -5.01 119.74 108.37 1jof s LYS 297 Ca -0.15 -0.30 -0.15 0.00 -1.00 0.00 0.00 55.97 54.37 1jof s LYS 297 Cb 0.05 0.28 -0.04 0.00 -2.06 0.00 0.00 37.83 36.06 1jof s LYS 297 CO 0.71 -0.31 0.39 -1.14 0.10 0.00 0.00 175.35 175.11 1jof s GLN 298 N -2.86 4.06 0.05 1.78 0.74 -1.26 -1.74 119.66 120.44 1jof s GLN 298 Ca 0.09 0.11 -0.07 0.00 0.05 0.00 0.00 55.36 55.54 1jof s GLN 298 Cb -0.00 -3.62 -0.30 0.00 1.10 0.00 0.00 33.01 30.19 1jof s GLN 298 CO -0.05 -0.22 1.07 -0.07 -0.55 0.00 0.00 175.29 175.47 1jof h LEU 299 N 8.35 0.52 -7.18 3.68 3.38 -0.98 -3.49 115.31 119.60 1jof h LEU 299 Ca -0.33 -0.57 0.01 0.00 0.09 0.00 0.00 57.88 57.08 1jof h LEU 299 Cb 1.16 -0.17 -0.11 0.00 0.09 0.00 0.00 40.66 41.63 1jof h LEU 299 CO 0.67 1.45 0.25 0.72 0.09 0.00 0.00 178.44 181.62 1jof s PHE 300 N -2.64 -0.45 -0.25 1.13 -0.12 -1.17 -4.95 117.98 109.53 1jof s PHE 300 Ca -0.06 0.21 -0.02 0.00 -0.05 0.00 0.00 56.93 57.01 1jof s PHE 300 Cb 0.06 0.58 0.12 0.00 -0.63 0.00 0.00 43.02 43.16 1jof s PHE 300 CO 0.89 -0.88 0.30 -1.17 -0.05 0.00 0.00 175.22 174.31 1jof s LEU 301 N -2.76 -0.32 0.09 -1.99 2.96 -1.26 -1.84 118.68 113.56 1jof s LEU 301 Ca 0.03 -0.31 0.04 0.00 -0.22 0.00 0.00 54.13 53.67 1jof s LEU 301 Cb -0.02 0.65 -0.03 0.00 0.50 0.00 0.00 46.19 47.29 1jof s LEU 301 CO -0.09 -0.34 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.05 1jof s SER 302 N 2.41 1.46 0.42 3.68 0.01 -0.29 -4.97 113.70 116.43 1jof s SER 302 Ca 0.09 -0.73 -0.25 0.00 1.31 0.00 0.00 55.95 56.37 1jof s SER 302 Cb -0.15 -0.01 -0.08 0.00 0.21 0.00 0.00 66.02 65.99 1jof s SER 302 CO -0.22 -0.20 1.25 -2.84 0.41 0.00 0.00 173.24 171.64 1jof s PRO 303 N -2.39 3.91 0.51 12.44 0.02 -1.26 -0.71 135.00 147.51 1jof s PRO 303 Ca 0.02 2.02 0.02 0.00 0.02 0.00 0.00 61.00 63.09 1jof s PRO 303 Cb -0.06 -2.66 0.02 0.00 0.02 0.00 0.00 34.50 31.83 1jof s PRO 303 CO 0.01 -0.50 0.72 0.95 -0.33 0.00 0.00 177.00 177.85 1jof s THR 304 N -1.34 2.91 0.29 0.99 -4.23 -0.22 -4.79 115.64 109.25 1jof s THR 304 Ca 0.59 -0.71 -0.01 0.00 -1.18 0.00 0.00 61.69 60.38 1jof s THR 304 Cb -0.35 -3.07 0.16 0.00 1.34 0.00 0.00 72.50 70.58 1jof s THR 304 CO 0.44 -0.04 1.84 -0.65 -0.54 0.00 0.00 174.62 175.66 1jof h PRO 305 N 0.23 0.81 0.00 3.99 0.11 -1.96 -3.40 132.00 131.78 1jof h PRO 305 Ca -0.42 -0.16 -0.43 0.00 0.11 0.00 0.00 66.00 65.10 1jof h PRO 305 Cb 1.29 -0.12 -0.08 0.00 0.11 0.00 0.00 31.00 32.19 1jof h PRO 305 CO 0.51 0.73 -0.31 0.25 -0.21 0.00 0.00 178.00 178.97 1jof n THR 306 N -4.28 0.00 0.63 -1.15 -2.24 -1.26 -4.94 114.28 101.04 1jof n THR 306 Ca 0.04 -1.57 0.11 0.00 -2.27 0.00 0.00 64.05 60.37 1jof n THR 306 Cb 0.22 0.34 0.46 0.00 -2.10 0.00 0.00 70.33 69.24 1jof n THR 306 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1jof n SER 307 N -1.25 0.34 0.00 3.42 3.41 -1.17 -1.24 113.62 117.12 1jof n SER 307 Ca -0.13 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1jof n SER 307 Cb 0.42 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 1jof n SER 307 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jof n GLY 308 N 0.67 2.59 7.00 5.00 0.00 -1.26 -0.80 105.19 118.39 1jof n GLY 308 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1jof n GLY 308 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jof n GLY 309 N -2.00 3.53 0.19 -0.02 0.00 -1.26 -0.65 105.19 104.97 1jof n GLY 309 Ca 0.00 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.04 1jof n GLY 309 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jof n HIS 310 N 13.95 0.00 0.00 1.61 8.25 -1.26 -4.74 115.22 133.03 1jof n HIS 310 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1jof n HIS 310 Cb 0.00 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.01 1jof n HIS 310 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1jof n SER 311 N -0.68 0.00 -0.36 0.41 2.88 0.17 -4.95 113.62 111.10 1jof n SER 311 Ca 0.17 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.67 1jof n SER 311 Cb 0.26 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.71 1jof n SER 311 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1jof n ASN 312 N 0.00 -2.82 -4.69 -3.46 5.15 0.46 -4.64 115.26 105.26 1jof n ASN 312 Ca 0.00 0.05 -0.42 0.00 -0.60 0.00 0.00 54.58 53.61 1jof n ASN 312 Cb 0.00 -1.32 -0.03 0.00 -0.53 0.00 0.00 39.78 37.90 1jof n ASN 312 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jof s ALA 313 N -2.17 3.59 0.07 5.20 0.00 -1.20 -4.72 121.76 122.53 1jof s ALA 313 Ca 0.00 0.92 -0.12 0.00 0.00 0.00 0.00 51.96 52.76 1jof s ALA 313 Cb 0.00 -3.60 -0.06 0.00 0.00 0.00 0.00 23.12 19.46 1jof s ALA 313 CO 0.00 -0.91 0.43 0.14 0.00 0.00 0.00 175.76 175.42 1jof s VAL 314 N 2.34 5.03 -0.31 0.00 -7.23 -1.26 -2.66 120.40 116.30 1jof s VAL 314 Ca 0.65 0.63 -0.02 0.00 -1.81 0.00 0.00 61.98 61.42 1jof s VAL 314 Cb -0.32 -3.68 0.11 0.00 0.56 0.00 0.00 36.38 33.04 1jof s VAL 314 CO 0.27 0.35 0.14 -0.55 -0.31 0.00 0.00 175.10 175.00 1jof s SER 315 N -1.58 3.60 0.47 4.85 0.15 0.15 -4.86 113.70 116.47 1jof s SER 315 Ca 0.32 -1.58 -0.23 0.00 0.70 0.00 0.00 55.95 55.16 1jof s SER 315 Cb -0.15 -0.53 -0.07 0.00 -1.71 0.00 0.00 66.02 63.56 1jof s SER 315 CO 0.17 -0.41 1.19 -2.84 1.20 0.00 0.00 173.24 172.56 1jof s PRO 316 N 1.74 3.68 0.16 5.44 0.02 -1.26 -1.20 135.00 143.58 1jof s PRO 316 Ca 0.11 1.84 -0.31 0.00 0.02 0.00 0.00 61.00 62.66 1jof s PRO 316 Cb -0.18 -2.40 -0.10 0.00 0.02 0.00 0.00 34.50 31.84 1jof s PRO 316 CO -0.26 -0.63 1.61 0.00 -0.33 0.00 0.00 177.00 177.38 1jof h PRO 318 N 7.06 0.00 -0.04 0.00 0.11 -1.92 -3.17 132.00 134.04 1jof h PRO 318 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1jof h PRO 318 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1jof h PRO 318 CO 0.92 0.00 0.00 0.91 -0.21 0.00 0.00 178.00 179.62 1jof n TRP 319 N -2.73 0.05 -3.64 0.65 8.01 -1.26 -4.63 117.44 113.89 1jof n TRP 319 Ca -0.00 -0.09 -0.11 0.00 -1.31 0.00 0.00 57.50 55.99 1jof n TRP 319 Cb 0.20 -0.01 -0.07 0.00 -2.01 0.00 0.00 31.31 29.42 1jof n TRP 319 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1jof s SER 320 N -0.61 -0.80 0.59 -0.99 0.15 -1.20 -4.99 113.70 105.84 1jof s SER 320 Ca 0.08 1.43 0.37 0.00 0.70 0.00 0.00 55.95 58.53 1jof s SER 320 Cb 0.06 1.39 1.78 0.00 -1.71 0.00 0.00 66.02 67.53 1jof s SER 320 CO 0.08 -0.24 2.15 0.44 1.20 0.00 0.00 173.24 176.87 1jof h ASP 321 N 5.86 0.00 -0.64 5.45 5.19 -1.95 -3.31 116.42 127.02 1jof h ASP 321 Ca -0.30 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.19 1jof h ASP 321 Cb 1.19 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.66 1jof h ASP 321 CO 0.11 0.03 0.42 -0.08 -3.12 0.00 0.00 179.24 176.60 1jof h GLU 322 N 0.00 0.56 0.00 3.56 4.81 -1.93 -3.40 114.58 118.18 1jof h GLU 322 Ca -0.00 -0.03 -0.33 0.00 -0.13 0.00 0.00 59.36 58.87 1jof h GLU 322 Cb 0.29 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.49 1jof h GLU 322 CO 0.00 0.37 -0.23 0.91 -0.73 0.00 0.00 179.01 179.33 1jof n TRP 323 N -4.48 0.48 -3.67 0.92 7.02 -1.25 -0.21 117.44 116.25 1jof n TRP 323 Ca 0.10 -1.25 -0.12 0.00 -1.02 0.00 0.00 57.50 55.21 1jof n TRP 323 Cb 0.28 -0.17 -0.06 0.00 -2.42 0.00 0.00 31.31 28.94 1jof n TRP 323 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1jof s ALA 325 N -2.44 -0.90 -0.09 6.99 0.00 -0.34 -1.18 121.76 123.81 1jof s ALA 325 Ca 0.01 0.10 -0.10 0.00 0.00 0.00 0.00 51.96 51.97 1jof s ALA 325 Cb -0.00 0.47 0.03 0.00 0.00 0.00 0.00 23.12 23.61 1jof s ALA 325 CO 0.01 -0.52 0.27 -1.50 0.00 0.00 0.00 175.76 174.02 1jof s ILE 326 N -3.02 0.01 0.16 0.00 2.07 -0.74 0.29 121.20 119.97 1jof s ILE 326 Ca -0.02 -0.05 0.10 0.00 -1.41 0.00 0.00 60.65 59.27 1jof s ILE 326 Cb 0.00 -0.40 -0.04 0.00 0.13 0.00 0.00 42.46 42.16 1jof s ILE 326 CO -0.06 -0.03 -0.23 0.42 -1.91 0.00 0.00 174.94 173.13 1jof s THR 327 N 0.00 2.14 0.03 4.00 -4.23 -1.09 -1.79 115.64 114.71 1jof s THR 327 Ca -0.01 -1.88 -0.04 0.00 -1.18 0.00 0.00 61.69 58.58 1jof s THR 327 Cb -0.02 -1.96 -0.01 0.00 1.34 0.00 0.00 72.50 71.84 1jof s THR 327 CO 0.01 -0.09 0.06 1.51 -0.54 0.00 0.00 174.62 175.56 1jof s ASP 328 N -2.41 0.19 -0.17 3.99 -4.77 -1.06 -0.40 116.67 112.04 1jof s ASP 328 Ca 0.16 -0.50 0.15 0.00 -3.30 0.00 0.00 52.55 49.06 1jof s ASP 328 Cb -0.08 0.19 0.36 0.00 -1.09 0.00 0.00 42.92 42.29 1jof s ASP 328 CO 0.08 -0.43 1.20 -0.90 0.70 0.00 0.00 175.17 175.81 1jof n ASP 329 N 1.06 2.16 -0.08 2.11 5.75 -1.20 -3.29 116.55 123.07 1jof n ASP 329 Ca -0.21 -3.44 -0.12 0.00 -0.01 0.00 0.00 54.79 51.01 1jof n ASP 329 Cb 0.57 -0.48 -0.08 0.00 -1.03 0.00 0.00 41.12 40.10 1jof n ASP 329 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 1jof h GLN 330 N 0.51 0.00 0.00 0.11 4.15 -1.83 -3.41 115.11 114.64 1jof h GLN 330 Ca 0.01 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1jof h GLN 330 Cb 1.05 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.73 1jof h GLN 330 CO 0.03 0.63 -1.50 0.39 -1.93 0.00 0.00 178.83 176.45 1jof n GLU 331 N -4.60 0.38 -1.10 1.69 1.02 -1.26 -5.05 120.64 111.72 1jof n GLU 331 Ca -0.14 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 1jof n GLU 331 Cb 0.40 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 1jof n GLU 331 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jof n GLY 332 N 1.90 0.99 3.90 0.62 0.00 -1.21 -4.72 105.19 106.68 1jof n GLY 332 Ca -0.02 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 1jof n GLY 332 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jof s TRP 333 N -2.43 3.52 -0.24 1.61 0.52 -1.23 -0.57 118.94 120.13 1jof s TRP 333 Ca 0.00 0.32 -0.01 0.00 0.02 0.00 0.00 56.10 56.43 1jof s TRP 333 Cb 0.00 -1.80 0.03 0.00 -1.15 0.00 0.00 33.47 30.54 1jof s TRP 333 CO 0.00 0.63 -0.08 -1.17 0.02 0.00 0.00 176.95 176.35 1jof s LEU 334 N -2.07 3.10 0.13 2.99 1.98 -0.48 -2.56 118.68 121.77 1jof s LEU 334 Ca 0.29 -0.89 0.08 0.00 -2.89 0.00 0.00 54.13 50.72 1jof s LEU 334 Cb -0.13 -1.64 -0.04 0.00 0.66 0.00 0.00 46.19 45.05 1jof s LEU 334 CO 0.21 -0.12 -0.13 -1.61 -1.89 0.00 0.00 176.35 172.80 1jof s GLU 335 N 1.30 1.97 -0.10 1.98 2.02 -0.74 -1.30 118.70 123.82 1jof s GLU 335 Ca -0.00 -1.14 0.02 0.00 0.02 0.00 0.00 54.97 53.87 1jof s GLU 335 Cb -0.17 -2.19 0.01 0.00 0.10 0.00 0.00 34.13 31.88 1jof s GLU 335 CO -0.05 0.48 -0.16 0.42 0.02 0.00 0.00 175.26 175.97 1jof s ILE 336 N -1.29 1.52 0.20 -1.63 1.01 0.18 -1.80 121.20 119.39 1jof s ILE 336 Ca 0.21 -0.66 0.08 0.00 0.00 0.00 0.00 60.65 60.28 1jof s ILE 336 Cb -0.10 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 1jof s ILE 336 CO 0.13 0.44 -0.04 -0.31 0.00 0.00 0.00 174.94 175.16 1jof s TYR 337 N 0.89 2.73 -0.09 3.97 1.51 -1.26 -1.03 117.35 124.06 1jof s TYR 337 Ca -0.09 -0.19 -0.00 0.00 -1.01 0.00 0.00 57.07 55.78 1jof s TYR 337 Cb -0.15 -1.30 -0.03 0.00 -0.11 0.00 0.00 41.96 40.37 1jof s TYR 337 CO -0.00 0.54 -0.07 0.50 -1.11 0.00 0.00 175.55 175.41 1jof s ARG 338 N -3.09 2.99 -0.38 -0.62 3.52 -0.01 -4.28 118.95 117.08 1jof s ARG 338 Ca 0.27 -0.56 -0.09 0.00 -0.13 0.00 0.00 55.73 55.22 1jof s ARG 338 Cb -0.08 -2.65 0.05 0.00 -1.56 0.00 0.00 34.95 30.71 1jof s ARG 338 CO 0.18 0.53 0.20 -0.46 -0.81 0.00 0.00 175.30 174.94 1jof s TRP 339 N -0.46 3.28 -0.05 5.12 -0.00 0.71 -1.66 118.94 125.88 1jof s TRP 339 Ca 0.07 -1.29 -0.00 0.00 -0.00 0.00 0.00 56.10 54.88 1jof s TRP 339 Cb -0.12 -2.59 0.03 0.00 -0.00 0.00 0.00 33.47 30.78 1jof s TRP 339 CO 0.02 -0.74 -0.01 0.21 -0.00 0.00 0.00 176.95 176.43 1jof s LYS 340 N 1.47 0.51 -1.58 5.86 2.47 -0.58 -4.54 119.74 123.35 1jof s LYS 340 Ca 0.01 0.06 -0.15 0.00 -1.56 0.00 0.00 55.97 54.33 1jof s LYS 340 Cb -0.21 -0.74 0.11 0.00 -1.46 0.00 0.00 37.83 35.53 1jof s LYS 340 CO 0.04 -0.19 0.93 -0.25 0.16 0.00 0.00 175.35 176.04 1jof n ASP 341 N 4.53 -4.45 -3.09 1.43 8.00 -1.26 -1.74 116.55 119.97 1jof n ASP 341 Ca -0.18 -0.83 -0.23 0.00 0.71 0.00 0.00 54.79 54.26 1jof n ASP 341 Cb 0.50 -3.57 0.03 0.00 -0.02 0.00 0.00 41.12 38.06 1jof n ASP 341 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jof n GLU 342 N -4.59 -4.64 -4.04 -1.24 1.02 -1.26 -4.99 120.64 100.90 1jof n GLU 342 Ca 0.05 0.82 -0.13 0.00 -0.02 0.00 0.00 57.16 57.89 1jof n GLU 342 Cb 0.51 -5.66 -0.12 0.00 -0.02 0.00 0.00 31.44 26.15 1jof n GLU 342 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1jof s PHE 343 N -3.13 0.43 -0.11 -0.32 0.40 -0.71 -4.98 117.98 109.55 1jof s PHE 343 Ca 0.33 -0.33 -0.03 0.00 -0.60 0.00 0.00 56.93 56.29 1jof s PHE 343 Cb -0.15 -0.27 -0.03 0.00 0.51 0.00 0.00 43.02 43.08 1jof s PHE 343 CO 0.40 -0.08 0.01 -1.17 0.70 0.00 0.00 175.22 175.08 1jof s LEU 344 N -0.96 3.57 -0.04 -0.37 2.96 -1.26 -1.52 118.68 121.06 1jof s LEU 344 Ca -0.07 0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 53.91 1jof s LEU 344 Cb -0.07 -1.84 0.02 0.00 0.50 0.00 0.00 46.19 44.81 1jof s LEU 344 CO -0.00 0.32 0.10 -1.38 -1.32 0.00 0.00 176.35 174.07 1jof s HIS 345 N -0.52 -0.11 0.38 5.38 -3.43 -0.66 -4.97 115.29 111.35 1jof s HIS 345 Ca 0.09 0.30 -0.27 0.00 -0.80 0.00 0.00 55.06 54.39 1jof s HIS 345 Cb -0.12 -0.02 -0.09 0.00 -1.43 0.00 0.00 32.58 30.92 1jof s HIS 345 CO 0.02 -0.08 1.25 0.50 -2.00 0.00 0.00 174.74 174.42 1jof s ARG 346 N 0.45 4.12 0.00 -0.38 3.52 -1.26 -0.83 118.95 124.58 1jof s ARG 346 Ca -0.03 2.05 0.00 0.00 -0.13 0.00 0.00 55.73 57.61 1jof s ARG 346 Cb -0.05 -2.83 0.00 0.00 -1.56 0.00 0.00 34.95 30.51 1jof s ARG 346 CO -0.02 -0.32 0.00 1.33 -0.81 0.00 0.00 175.30 175.48 1jof n VAL 347 N 0.33 0.00 -3.52 7.11 0.24 -0.20 -4.86 118.33 117.43 1jof n VAL 347 Ca 0.03 -0.04 -0.08 0.00 -2.04 0.00 0.00 64.34 62.20 1jof n VAL 347 Cb 0.44 0.41 -0.02 0.00 -1.47 0.00 0.00 33.84 33.20 1jof n VAL 347 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jof s ALA 348 N -1.19 -1.79 -0.16 2.33 0.00 -1.14 -4.65 121.76 115.16 1jof s ALA 348 Ca 0.00 0.89 -0.32 0.00 0.00 0.00 0.00 51.96 52.53 1jof s ALA 348 Cb 0.00 0.47 0.14 0.00 0.00 0.00 0.00 23.12 23.73 1jof s ALA 348 CO 0.00 -0.72 1.12 -0.98 0.00 0.00 0.00 175.76 175.17 1jof s ARG 349 N -3.19 0.44 -0.06 0.00 1.70 -1.26 -0.65 118.95 115.93 1jof s ARG 349 Ca 0.05 -0.09 -0.08 0.00 -0.47 0.00 0.00 55.73 55.15 1jof s ARG 349 Cb -0.01 0.20 0.02 0.00 -0.57 0.00 0.00 34.95 34.59 1jof s ARG 349 CO -0.08 -0.18 0.21 0.54 -1.08 0.00 0.00 175.30 174.71 1jof s VAL 350 N -2.13 0.02 -0.15 4.99 0.11 -0.42 -4.63 120.40 118.19 1jof s VAL 350 Ca 0.06 -0.18 -0.06 0.00 -2.93 0.00 0.00 61.98 58.88 1jof s VAL 350 Cb -0.01 -0.36 -0.04 0.00 -1.53 0.00 0.00 36.38 34.44 1jof s VAL 350 CO -0.05 -0.10 0.05 -0.60 -3.33 0.00 0.00 175.10 171.07 1jof s ARG 351 N -0.30 3.66 -0.35 1.54 3.52 -1.26 -1.39 118.95 124.38 1jof s ARG 351 Ca -0.04 -0.35 0.01 0.00 -0.13 0.00 0.00 55.73 55.22 1jof s ARG 351 Cb -0.03 -3.08 0.09 0.00 -1.56 0.00 0.00 34.95 30.37 1jof s ARG 351 CO 0.01 0.43 0.07 0.42 -0.81 0.00 0.00 175.30 175.42 1jof s ILE 352 N -0.08 2.67 -0.93 4.11 1.01 0.27 -4.99 121.20 123.25 1jof s ILE 352 Ca 0.06 -2.06 0.00 0.00 0.00 0.00 0.00 60.65 58.65 1jof s ILE 352 Cb -0.12 -2.82 0.00 0.00 0.01 0.00 0.00 42.46 39.52 1jof s ILE 352 CO 0.01 -0.50 0.00 -2.65 0.00 0.00 0.00 174.94 171.80 1jof n PRO 353 N 4.42 0.00 -3.44 2.79 -0.02 -1.26 -4.70 135.00 132.79 1jof n PRO 353 Ca -0.02 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.20 1jof n PRO 353 Cb 0.42 -0.98 -0.02 0.00 -0.02 0.00 0.00 33.50 32.90 1jof n PRO 353 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1jof s GLU 354 N -0.93 3.53 0.06 -0.52 0.41 -1.26 -5.02 118.70 114.97 1jof s GLU 354 Ca 0.00 -0.25 -0.33 0.00 -0.41 0.00 0.00 54.97 53.98 1jof s GLU 354 Cb 0.00 -2.70 -0.12 0.00 -1.78 0.00 0.00 34.13 29.53 1jof s GLU 354 CO 0.00 0.22 1.77 -2.30 -0.49 0.00 0.00 175.26 174.46 1jof n PRO 355 N -1.31 2.39 -1.06 0.39 -0.02 -1.26 -1.76 135.00 132.37 1jof n PRO 355 Ca -0.04 0.87 -0.02 0.00 -2.02 0.00 0.00 63.50 62.29 1jof n PRO 355 Cb 0.55 -2.71 -0.01 0.00 -0.02 0.00 0.00 33.50 31.31 1jof n PRO 355 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jof n GLY 356 N 4.03 0.31 3.73 -1.23 0.00 -1.26 -4.37 105.19 106.40 1jof n GLY 356 Ca 0.19 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1jof n GLY 356 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jof s PHE 357 N -1.42 3.19 0.00 1.61 5.36 -0.72 -0.79 117.98 125.21 1jof s PHE 357 Ca 0.00 1.05 0.00 0.00 -0.96 0.00 0.00 56.93 57.02 1jof s PHE 357 Cb 0.00 -3.70 0.00 0.00 -0.34 0.00 0.00 43.02 38.98 1jof s PHE 357 CO 0.00 -2.32 0.00 0.41 -1.46 0.00 0.00 175.22 171.85 1jof n GLY 358 N 2.81 1.83 3.87 13.12 0.00 -1.21 -3.90 105.19 121.71 1jof n GLY 358 Ca 0.09 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 1jof n GLY 358 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jof s ASN 360 N 0.00 6.64 -0.05 1.61 4.22 -1.26 -3.35 114.94 122.74 1jof s ASN 360 Ca 0.00 0.83 0.03 0.00 -2.14 0.00 0.00 52.86 51.57 1jof s ASN 360 Cb 0.00 -2.19 -0.03 0.00 1.28 0.00 0.00 41.25 40.31 1jof s ASN 360 CO 0.00 0.09 -0.11 0.00 -2.04 0.00 0.00 177.10 175.04 1jof s ALA 361 N -1.54 2.79 -0.03 3.54 0.00 -1.26 -3.47 121.76 121.79 1jof s ALA 361 Ca 0.38 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.43 1jof s ALA 361 Cb -0.13 -1.06 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 1jof s ALA 361 CO 0.20 0.56 -0.16 0.96 0.00 0.00 0.00 175.76 177.33 1jof s ILE 362 N -0.77 1.29 -0.08 0.00 -4.36 -1.26 -4.80 121.20 111.22 1jof s ILE 362 Ca 0.12 -0.67 -0.23 0.00 -0.26 0.00 0.00 60.65 59.62 1jof s ILE 362 Cb -0.11 -1.10 -0.04 0.00 1.25 0.00 0.00 42.46 42.47 1jof s ILE 362 CO 0.01 0.37 0.68 0.26 0.24 0.00 0.00 174.94 176.50 1jof s TRP 363 N -0.13 3.56 -0.08 1.37 0.52 -1.26 -4.33 118.94 118.59 1jof s TRP 363 Ca 0.01 1.19 0.03 0.00 0.02 0.00 0.00 56.10 57.35 1jof s TRP 363 Cb -0.09 -2.78 0.01 0.00 -1.15 0.00 0.00 33.47 29.46 1jof s TRP 363 CO 0.01 0.07 -0.17 -0.47 0.02 0.00 0.00 176.95 176.41 1jof s TYR 364 N 0.88 1.85 0.00 -1.98 5.04 -0.57 -5.00 117.35 117.57 1jof s TYR 364 Ca 0.36 -0.71 0.00 0.00 -2.44 0.00 0.00 57.07 54.28 1jof s TYR 364 Cb -0.17 -1.30 0.00 0.00 0.35 0.00 0.00 41.96 40.84 1jof s TYR 364 CO 0.17 -0.32 0.00 -0.25 -1.34 0.00 0.00 175.55 173.81