#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 4.40 0.17 2.45 1.43 -1.26 -2.18 118.68 123.69 1jof s LEU 2 Ca 0.00 0.73 0.06 0.00 -1.03 0.00 0.00 54.13 53.89 1jof s LEU 2 Cb 0.00 -2.61 -0.05 0.00 0.03 0.00 0.00 46.19 43.57 1jof s LEU 2 CO 0.00 0.29 -0.12 -1.00 0.23 0.00 0.00 176.35 175.75 1jof s HIS 3 N -1.20 1.47 0.01 0.29 3.76 -0.17 -4.97 115.29 114.48 1jof s HIS 3 Ca 0.25 -0.68 0.02 0.00 -0.15 0.00 0.00 55.06 54.51 1jof s HIS 3 Cb -0.14 -0.71 -0.01 0.00 1.11 0.00 0.00 32.58 32.82 1jof s HIS 3 CO 0.13 0.21 -0.06 -1.01 -0.85 0.00 0.00 174.74 173.16 1jof s HIS 4 N -3.17 0.54 0.00 1.40 3.76 -0.93 -0.58 115.29 116.31 1jof s HIS 4 Ca 0.19 -0.21 0.00 0.00 -0.15 0.00 0.00 55.06 54.90 1jof s HIS 4 Cb 0.01 -0.34 0.00 0.00 1.11 0.00 0.00 32.58 33.36 1jof s HIS 4 CO 0.03 -0.03 0.00 1.28 -0.85 0.00 0.00 174.74 175.18 1jof n LEU 5 N 2.52 0.00 0.00 0.89 4.32 0.24 -1.49 117.00 123.47 1jof n LEU 5 Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.83 1jof n LEU 5 Cb 0.57 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.37 1jof n LEU 5 CO 0.24 0.00 0.00 -0.38 -1.22 0.00 0.00 177.39 176.03 1jof n ILE 7 N 0.00 0.00 -2.95 -0.08 -0.00 -0.36 -0.24 119.36 115.73 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 -0.28 4.63 3.09 7.39 0.00 -1.23 -1.44 105.19 117.35 1jof n GLY 8 Ca 0.00 -2.09 -0.08 0.00 0.00 0.00 0.00 46.02 43.86 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 0.84 0.19 -0.88 2.61 -4.23 -0.53 -3.15 115.64 110.49 1jof s THR 9 Ca 0.00 -1.60 0.26 0.00 -1.18 0.00 0.00 61.69 59.16 1jof s THR 9 Cb 0.00 -1.31 0.09 0.00 1.34 0.00 0.00 72.50 72.62 1jof s THR 9 CO 0.00 -0.89 1.53 1.87 -0.54 0.00 0.00 174.62 176.60 1jof n TRP 10 N 0.32 0.23 -4.01 3.99 -0.00 -0.23 -3.04 117.44 114.70 1jof n TRP 10 Ca -0.16 0.07 -0.08 0.00 -0.00 0.00 0.00 57.50 57.33 1jof n TRP 10 Cb 0.60 -0.47 -0.10 0.00 -0.00 0.00 0.00 31.31 31.34 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 -3.05 0.16 0.76 5.87 2.01 -1.26 -4.98 115.64 115.14 1jof s THR 11 Ca 0.10 -1.31 -0.12 0.00 0.31 0.00 0.00 61.69 60.68 1jof s THR 11 Cb 0.16 -0.90 0.05 0.00 0.01 0.00 0.00 72.50 71.82 1jof s THR 11 CO 0.66 -0.72 1.10 -2.84 -0.69 0.00 0.00 174.62 172.13 1jof s PRO 12 N -2.70 2.27 0.29 4.92 0.02 -1.26 -4.46 135.00 134.09 1jof s PRO 12 Ca -0.04 1.28 -0.29 0.00 0.02 0.00 0.00 61.00 61.97 1jof s PRO 12 Cb -0.01 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.53 1jof s PRO 12 CO -0.05 -1.64 1.06 -1.25 -0.33 0.00 0.00 177.00 174.78 1jof s PRO 13 N -4.65 4.62 0.34 5.54 0.04 -1.26 -4.81 135.00 134.81 1jof s PRO 13 Ca 0.63 1.69 -0.29 0.00 0.04 0.00 0.00 61.00 63.08 1jof s PRO 13 Cb -0.19 -3.11 -0.11 0.00 0.04 0.00 0.00 34.50 31.14 1jof s PRO 13 CO 0.52 0.23 1.38 0.20 0.04 0.00 0.00 177.00 179.37 1jof s GLY 14 N -1.05 2.89 -0.13 0.56 0.00 -0.43 -4.87 107.32 104.29 1jof s GLY 14 Ca 0.46 1.38 -0.30 0.00 0.00 0.00 0.00 44.72 46.25 1jof s GLY 14 CO 0.37 2.08 0.93 0.00 0.00 0.00 0.00 173.10 176.48 1jof s ALA 15 N -0.98 -1.90 -0.17 3.20 0.00 -1.26 -3.01 121.76 117.64 1jof s ALA 15 Ca 0.52 1.50 -0.01 0.00 0.00 0.00 0.00 51.96 53.96 1jof s ALA 15 Cb -0.42 -0.50 -0.00 0.00 0.00 0.00 0.00 23.12 22.19 1jof s ALA 15 CO 0.55 -0.35 -0.12 0.42 0.00 0.00 0.00 175.76 176.26 1jof s ILE 16 N -1.28 2.88 -0.12 0.00 1.01 -0.40 -4.44 121.20 118.86 1jof s ILE 16 Ca -0.03 -0.69 -0.06 0.00 0.00 0.00 0.00 60.65 59.87 1jof s ILE 16 Cb -0.00 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 1jof s ILE 16 CO 0.02 0.49 0.12 -0.36 0.00 0.00 0.00 174.94 175.21 1jof s PHE 17 N 0.97 3.53 -0.25 3.97 0.40 -0.52 -1.24 117.98 124.83 1jof s PHE 17 Ca -0.02 0.47 -0.04 0.00 -0.60 0.00 0.00 56.93 56.74 1jof s PHE 17 Cb -0.15 -1.92 0.00 0.00 0.51 0.00 0.00 43.02 41.46 1jof s PHE 17 CO -0.02 0.68 -0.01 0.99 0.70 0.00 0.00 175.22 177.57 1jof s THR 18 N -0.96 3.44 -0.06 0.64 2.01 0.62 -1.23 115.64 120.09 1jof s THR 18 Ca 0.14 -0.65 -0.01 0.00 0.31 0.00 0.00 61.69 61.49 1jof s THR 18 Cb -0.12 -2.66 -0.03 0.00 0.01 0.00 0.00 72.50 69.70 1jof s THR 18 CO 0.04 0.29 0.01 -0.69 -0.69 0.00 0.00 174.62 173.57 1jof s VAL 19 N 1.45 4.30 -0.15 3.82 1.01 0.66 -1.04 120.40 130.46 1jof s VAL 19 Ca 0.04 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 1jof s VAL 19 Cb -0.16 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1jof s VAL 19 CO -0.02 0.55 0.01 -1.58 0.00 0.00 0.00 175.10 174.06 1jof s GLN 20 N -1.07 3.66 -0.17 2.72 0.74 0.50 -0.60 119.66 125.44 1jof s GLN 20 Ca 0.15 -0.43 0.01 0.00 0.05 0.00 0.00 55.36 55.14 1jof s GLN 20 Cb -0.11 -3.01 0.02 0.00 1.10 0.00 0.00 33.01 31.00 1jof s GLN 20 CO 0.05 0.35 -0.19 0.12 -0.55 0.00 0.00 175.29 175.06 1jof s PHE 21 N 0.11 2.77 -0.46 1.67 5.36 0.25 -2.03 117.98 125.64 1jof s PHE 21 Ca 0.02 -1.52 -0.18 0.00 -0.96 0.00 0.00 56.93 54.29 1jof s PHE 21 Cb -0.13 -1.91 0.04 0.00 -0.34 0.00 0.00 43.02 40.68 1jof s PHE 21 CO 0.02 -0.74 0.53 0.34 -1.46 0.00 0.00 175.22 173.91 1jof s ASP 22 N 1.19 6.22 0.00 6.13 -1.08 -0.80 -1.00 116.67 127.33 1jof s ASP 22 Ca 0.02 -0.80 0.17 0.00 -0.52 0.00 0.00 52.55 51.42 1jof s ASP 22 Cb -0.14 -2.26 0.99 0.00 -1.46 0.00 0.00 42.92 40.06 1jof s ASP 22 CO -0.10 -0.74 1.52 -0.90 0.52 0.00 0.00 175.17 175.47 1jof n ASP 23 N 5.87 0.00 -0.10 -0.34 5.68 -0.93 0.47 116.55 127.20 1jof n ASP 23 Ca -0.07 -1.12 -0.17 0.00 -0.50 0.00 0.00 54.79 52.93 1jof n ASP 23 Cb 0.46 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.36 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 -0.82 0.47 0.06 0.11 1.02 -1.26 -4.52 120.64 115.69 1jof n GLU 24 Ca 0.12 0.15 0.12 0.00 -0.02 0.00 0.00 57.16 57.53 1jof n GLU 24 Cb 0.06 -1.33 0.10 0.00 -0.02 0.00 0.00 31.44 30.25 1jof n GLU 24 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1jof n LYS 25 N -3.42 0.34 -3.33 3.49 5.02 -1.20 -4.98 118.16 114.08 1jof n LYS 25 Ca -0.37 0.06 -0.16 0.00 -2.02 0.00 0.00 58.31 55.82 1jof n LYS 25 Cb 0.84 -1.68 0.07 0.00 -0.02 0.00 0.00 35.03 34.24 1jof n LYS 25 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1jof n LEU 26 N -2.14 -5.04 -4.32 -0.35 4.77 0.18 -5.03 117.00 105.06 1jof n LEU 26 Ca 0.02 -0.70 -0.17 0.00 -0.03 0.00 0.00 56.01 55.13 1jof n LEU 26 Cb 0.45 -3.14 -0.10 0.00 -2.33 0.00 0.00 43.42 38.30 1jof n LEU 26 CO 0.38 0.20 -0.33 0.42 -1.33 0.00 0.00 177.39 176.73 1jof s THR 27 N -3.39 1.00 -0.03 -5.08 -4.23 -1.13 -4.48 115.64 98.30 1jof s THR 27 Ca 0.33 -2.03 0.03 0.00 -1.18 0.00 0.00 61.69 58.84 1jof s THR 27 Cb -0.05 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.49 1jof s THR 27 CO 0.75 -0.35 -0.10 0.00 -0.54 0.00 0.00 174.62 174.38 1jof s LYS 29 N 0.18 0.14 -0.02 0.00 3.01 -0.86 -4.80 119.74 117.39 1jof s LYS 29 Ca -0.03 0.25 -0.30 0.00 -1.01 0.00 0.00 55.97 54.88 1jof s LYS 29 Cb -0.09 -0.00 -0.03 0.00 -1.01 0.00 0.00 37.83 36.70 1jof s LYS 29 CO 0.01 -0.06 0.99 -1.17 0.51 0.00 0.00 175.35 175.62 1jof s LEU 30 N 0.42 4.34 0.00 3.17 2.96 -1.26 -0.37 118.68 127.94 1jof s LEU 30 Ca -0.03 1.64 0.00 0.00 -0.22 0.00 0.00 54.13 55.52 1jof s LEU 30 Cb -0.04 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.08 1jof s LEU 30 CO -0.02 -0.31 0.69 2.30 -1.32 0.00 0.00 176.35 177.69 1jof n ILE 31 N 4.04 0.37 -3.61 6.68 -5.35 -0.21 -4.93 119.36 116.36 1jof n ILE 31 Ca 0.07 -0.68 0.01 0.00 -0.27 0.00 0.00 62.75 61.87 1jof n ILE 31 Cb 0.50 0.82 -0.06 0.00 -1.74 0.00 0.00 39.64 39.16 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 -0.37 0.17 -0.36 6.28 2.47 -1.16 -4.96 119.74 121.82 1jof s LYS 32 Ca 0.00 0.31 0.00 0.00 -1.56 0.00 0.00 55.97 54.73 1jof s LYS 32 Cb 0.00 0.05 0.09 0.00 -1.46 0.00 0.00 37.83 36.52 1jof s LYS 32 CO 0.00 -0.04 0.09 0.50 0.16 0.00 0.00 175.35 176.07 1jof s ARG 33 N 1.27 1.88 -0.31 4.03 3.52 -1.26 -0.28 118.95 127.79 1jof s ARG 33 Ca -0.08 -1.73 -0.19 0.00 -0.13 0.00 0.00 55.73 53.60 1jof s ARG 33 Cb -0.03 -3.33 -0.01 0.00 -1.56 0.00 0.00 34.95 30.02 1jof s ARG 33 CO -0.12 -0.92 0.57 0.99 -0.81 0.00 0.00 175.30 175.00 1jof s THR 34 N 1.06 4.99 0.35 4.11 2.01 -0.38 -4.95 115.64 122.84 1jof s THR 34 Ca 0.06 0.69 -0.27 0.00 0.31 0.00 0.00 61.69 62.48 1jof s THR 34 Cb -0.21 -3.95 -0.09 0.00 0.01 0.00 0.00 72.50 68.26 1jof s THR 34 CO -0.05 -0.12 1.20 -0.70 -0.69 0.00 0.00 174.62 174.25 1jof s GLU 35 N 2.49 4.27 0.22 4.92 2.12 -1.26 -1.27 118.70 130.19 1jof s GLU 35 Ca 0.22 1.96 -0.00 0.00 0.36 0.00 0.00 54.97 57.51 1jof s GLU 35 Cb -0.15 -2.91 -0.04 0.00 0.26 0.00 0.00 34.13 31.28 1jof s GLU 35 CO 0.12 -0.17 0.12 0.96 -0.54 0.00 0.00 175.26 175.75 1jof s ILE 36 N -1.27 0.21 -0.38 -3.70 -4.36 -1.16 -4.90 121.20 105.63 1jof s ILE 36 Ca 0.52 -2.00 -0.35 0.00 -0.26 0.00 0.00 60.65 58.56 1jof s ILE 36 Cb -0.34 -2.55 -0.15 0.00 1.25 0.00 0.00 42.46 40.67 1jof s ILE 36 CO 0.44 -0.00 1.35 -2.65 0.24 0.00 0.00 174.94 174.32 1jof n PRO 37 N -0.34 0.00 -0.34 0.37 -0.02 -1.26 -4.46 135.00 128.95 1jof n PRO 37 Ca 0.01 0.00 0.28 0.00 -2.02 0.00 0.00 63.50 61.77 1jof n PRO 37 Cb 0.66 -1.14 0.53 0.00 -0.02 0.00 0.00 33.50 33.53 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 4.80 0.19 -0.62 -0.52 -0.00 -1.96 0.59 115.11 117.59 1jof h GLN 38 Ca -0.25 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.39 1jof h GLN 38 Cb 1.05 -0.04 0.00 0.00 -0.00 0.00 0.00 27.48 28.49 1jof h GLN 38 CO 0.77 0.12 0.00 -0.40 -0.00 0.00 0.00 178.83 179.33 1jof n ASP 39 N -5.08 4.99 -2.64 0.06 5.75 -1.26 -1.31 116.55 117.06 1jof n ASP 39 Ca 0.34 -2.58 -0.28 0.00 -0.01 0.00 0.00 54.79 52.26 1jof n ASP 39 Cb 1.13 -0.60 -0.01 0.00 -1.03 0.00 0.00 41.12 40.61 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 0.96 3.39 -1.85 0.11 1.02 0.20 -4.73 120.64 119.74 1jof n GLU 40 Ca 0.26 -4.56 -0.39 0.00 -0.02 0.00 0.00 57.16 52.45 1jof n GLU 40 Cb 0.97 -2.25 0.02 0.00 -0.02 0.00 0.00 31.44 30.16 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 -3.56 3.54 -0.45 3.49 0.04 -1.26 -4.78 135.00 132.02 1jof s PRO 41 Ca 0.48 2.29 -0.16 0.00 0.04 0.00 0.00 61.00 63.65 1jof s PRO 41 Cb 0.37 -2.52 0.05 0.00 0.04 0.00 0.00 34.50 32.43 1jof s PRO 41 CO -0.19 -0.89 0.42 0.42 0.04 0.00 0.00 177.00 176.80 1jof s ILE 42 N -1.26 5.15 -1.02 0.56 1.01 -1.23 -4.26 121.20 120.15 1jof s ILE 42 Ca 0.64 -0.72 0.27 0.00 0.00 0.00 0.00 60.65 60.85 1jof s ILE 42 Cb -0.41 -4.09 0.14 0.00 0.01 0.00 0.00 42.46 38.11 1jof s ILE 42 CO 0.51 -0.52 1.69 -1.54 0.00 0.00 0.00 174.94 175.08 1jof n SER 43 N 5.44 0.25 -3.54 3.58 3.41 -0.79 -1.45 113.62 120.51 1jof n SER 43 Ca -0.10 0.12 -0.13 0.00 -0.26 0.00 0.00 58.87 58.50 1jof n SER 43 Cb 0.46 -0.14 -0.04 0.00 -0.26 0.00 0.00 64.21 64.22 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 -2.99 -0.43 0.00 7.33 -0.11 -1.25 -4.54 118.94 116.95 1jof s TRP 44 Ca 0.13 0.39 0.00 0.00 1.22 0.00 0.00 56.10 57.84 1jof s TRP 44 Cb 0.18 0.38 0.00 0.00 -1.50 0.00 0.00 33.47 32.54 1jof s TRP 44 CO 0.61 -0.70 0.00 -2.37 -4.62 0.00 0.00 176.95 169.87 1jof n THR 46 N 0.16 0.00 -3.15 5.86 5.66 -0.77 -0.71 114.28 121.33 1jof n THR 46 Ca -0.18 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.56 1jof n THR 46 Cb 0.62 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.38 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 3.51 0.46 1.09 0.40 -1.26 -0.82 117.98 119.35 1jof s PHE 47 Ca 0.00 0.58 -0.06 0.00 -0.60 0.00 0.00 56.93 56.85 1jof s PHE 47 Cb 0.00 -2.08 0.10 0.00 0.51 0.00 0.00 43.02 41.55 1jof s PHE 47 CO 0.00 0.02 0.63 -0.40 0.70 0.00 0.00 175.22 176.17 1jof n ASP 48 N -1.66 0.29 0.21 1.36 5.75 -0.92 -4.72 116.55 116.86 1jof n ASP 48 Ca -0.02 -1.37 0.15 0.00 -0.01 0.00 0.00 54.79 53.53 1jof n ASP 48 Cb 0.55 -0.46 0.76 0.00 -1.03 0.00 0.00 41.12 40.94 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 -1.07 0.00 -0.01 2.11 2.07 -1.87 -2.19 115.15 114.18 1jof h HIS 49 Ca -0.20 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.32 1jof h HIS 49 Cb 0.62 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.60 1jof h HIS 49 CO 0.00 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 175.25 1jof n GLU 50 N -2.51 1.84 -3.24 5.12 1.02 -1.26 -4.97 120.64 116.63 1jof n GLU 50 Ca -0.01 -1.24 -0.23 0.00 -0.02 0.00 0.00 57.16 55.65 1jof n GLU 50 Cb 0.07 -1.01 0.03 0.00 -0.02 0.00 0.00 31.44 30.51 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 -0.30 -5.07 0.00 3.49 1.74 -0.83 -4.84 116.66 110.85 1jof n ARG 51 Ca 0.01 0.79 0.09 0.00 -0.77 0.00 0.00 57.85 57.96 1jof n ARG 51 Cb 0.19 -5.65 -0.09 0.00 -1.02 0.00 0.00 32.46 25.89 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 -4.16 1.17 -4.03 5.56 5.02 -1.26 -4.84 118.16 115.62 1jof n LYS 52 Ca -0.06 -0.13 -0.10 0.00 -2.02 0.00 0.00 58.31 56.00 1jof n LYS 52 Cb 0.59 -1.34 -0.11 0.00 -0.02 0.00 0.00 35.03 34.15 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 -2.61 0.50 -0.09 4.39 0.01 -1.26 0.17 114.94 116.06 1jof s ASN 53 Ca 0.08 -0.61 0.04 0.00 -0.71 0.00 0.00 52.86 51.65 1jof s ASN 53 Cb 0.14 0.10 0.00 0.00 0.41 0.00 0.00 41.25 41.90 1jof s ASN 53 CO 0.70 -0.32 -0.21 -0.63 -1.51 0.00 0.00 177.10 175.12 1jof s ILE 54 N -1.91 1.82 -0.01 0.60 1.01 0.13 -2.17 121.20 120.68 1jof s ILE 54 Ca -0.09 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.71 1jof s ILE 54 Cb -0.07 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 1jof s ILE 54 CO -0.02 0.51 -0.07 -0.31 0.00 0.00 0.00 174.94 175.05 1jof s TYR 55 N 0.44 2.89 0.04 3.97 1.51 -0.00 -0.47 117.35 125.72 1jof s TYR 55 Ca -0.18 -0.03 0.02 0.00 -1.01 0.00 0.00 57.07 55.87 1jof s TYR 55 Cb -0.17 -1.62 -0.02 0.00 -0.11 0.00 0.00 41.96 40.03 1jof s TYR 55 CO 0.07 0.37 -0.07 0.20 -1.11 0.00 0.00 175.55 175.01 1jof s GLY 56 N -1.34 0.45 -0.54 0.71 0.00 -0.14 -1.85 107.32 104.61 1jof s GLY 56 Ca 0.16 -0.72 -0.22 0.00 0.00 0.00 0.00 44.72 43.95 1jof s GLY 56 CO 0.07 -0.77 0.80 0.00 0.00 0.00 0.00 173.10 173.19 1jof s ALA 57 N -1.37 3.26 -0.03 3.20 0.00 0.11 -1.86 121.76 125.07 1jof s ALA 57 Ca -0.11 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.29 1jof s ALA 57 Cb -0.10 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 1jof s ALA 57 CO 0.00 -2.26 -0.03 0.00 0.00 0.00 0.00 175.76 173.47 1jof n ALA 58 N 6.89 2.02 0.00 0.00 0.00 -1.26 -1.88 120.51 126.27 1jof n ALA 58 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1jof n ALA 58 Cb 0.46 0.44 0.00 0.00 0.00 0.00 0.00 19.45 20.35 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 -2.64 0.00 -4.35 0.00 4.76 -1.26 -4.65 118.16 110.03 1jof n LYS 60 Ca -0.05 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.20 1jof n LYS 60 Cb 0.55 -0.09 -0.10 0.00 -1.84 0.00 0.00 35.03 33.55 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 -0.05 1.34 -0.34 1.97 -0.14 -1.26 -3.77 119.74 117.49 1jof s LYS 61 Ca 0.00 -1.61 -0.02 0.00 -1.36 0.00 0.00 55.97 52.99 1jof s LYS 61 Cb 0.00 -1.06 0.07 0.00 -1.68 0.00 0.00 37.83 35.16 1jof s LYS 61 CO 0.00 0.14 0.06 -1.58 -0.76 0.00 0.00 175.35 173.22 1jof s TRP 62 N -3.03 3.40 0.24 3.18 0.52 0.26 -4.61 118.94 118.90 1jof s TRP 62 Ca 0.23 -2.12 0.04 0.00 0.02 0.00 0.00 56.10 54.27 1jof s TRP 62 Cb 0.00 -2.51 -0.03 0.00 -1.15 0.00 0.00 33.47 29.79 1jof s TRP 62 CO 0.07 -0.87 0.37 -1.54 0.02 0.00 0.00 176.95 175.00 1jof s SER 63 N 1.39 6.32 -0.04 2.95 1.04 -0.78 -0.78 113.70 123.81 1jof s SER 63 Ca 0.00 0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.58 1jof s SER 63 Cb -0.21 -1.89 0.02 0.00 0.10 0.00 0.00 66.02 64.04 1jof s SER 63 CO -0.03 -0.07 -0.06 -0.55 0.98 0.00 0.00 173.24 173.52 1jof s SER 64 N -3.85 1.02 -0.01 7.02 0.15 0.43 -0.96 113.70 117.50 1jof s SER 64 Ca 0.35 -0.15 0.03 0.00 0.70 0.00 0.00 55.95 56.88 1jof s SER 64 Cb -0.09 -0.49 -0.00 0.00 -1.71 0.00 0.00 66.02 63.72 1jof s SER 64 CO 0.30 -0.04 -0.10 -0.36 1.20 0.00 0.00 173.24 174.24 1jof s PHE 65 N 0.84 0.92 0.01 3.44 0.40 0.38 -0.91 117.98 123.06 1jof s PHE 65 Ca -0.12 -0.19 -0.19 0.00 -0.60 0.00 0.00 56.93 55.83 1jof s PHE 65 Cb -0.14 -0.61 -0.06 0.00 0.51 0.00 0.00 43.02 42.72 1jof s PHE 65 CO 0.01 -0.04 0.53 0.00 0.70 0.00 0.00 175.22 176.42 1jof s ALA 66 N -0.12 3.57 -0.26 5.36 0.00 -0.38 0.20 121.76 130.13 1jof s ALA 66 Ca 0.02 -0.04 0.02 0.00 0.00 0.00 0.00 51.96 51.96 1jof s ALA 66 Cb -0.05 -2.62 0.05 0.00 0.00 0.00 0.00 23.12 20.50 1jof s ALA 66 CO -0.00 0.30 -0.10 0.08 0.00 0.00 0.00 175.76 176.04 1jof s VAL 67 N -0.63 2.32 -0.05 0.00 1.01 0.13 -0.89 120.40 122.29 1jof s VAL 67 Ca 0.28 -1.52 -0.00 0.00 0.00 0.00 0.00 61.98 60.74 1jof s VAL 67 Cb -0.18 -2.32 -0.26 0.00 0.00 0.00 0.00 36.38 33.62 1jof s VAL 67 CO 0.16 0.02 0.65 0.07 0.00 0.00 0.00 175.10 176.00 1jof h LYS 68 N 7.83 0.19 -2.99 2.72 2.10 -1.48 -3.43 116.57 121.50 1jof h LYS 68 Ca -0.22 -0.32 0.03 0.00 -2.00 0.00 0.00 60.65 58.13 1jof h LYS 68 Cb 1.05 0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 32.48 1jof h LYS 68 CO 0.49 0.99 0.26 -1.54 -2.00 0.00 0.00 179.45 177.64 1jof s SER 69 N -6.77 -0.13 0.48 7.07 1.04 -1.23 -4.98 113.70 109.19 1jof s SER 69 Ca -0.12 -0.87 0.25 0.00 0.48 0.00 0.00 55.95 55.69 1jof s SER 69 Cb 0.07 0.79 1.30 0.00 0.10 0.00 0.00 66.02 68.28 1jof s SER 69 CO 0.82 -1.51 1.88 -0.65 0.98 0.00 0.00 173.24 174.75 1jof h PRO 70 N 2.00 0.17 -0.08 4.02 0.11 -1.99 -1.79 132.00 134.45 1jof h PRO 70 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1jof h PRO 70 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1jof h PRO 70 CO 0.32 0.11 0.00 0.25 -0.21 0.00 0.00 178.00 178.47 1jof n THR 71 N -4.39 0.09 -3.95 -1.15 -2.24 -1.26 -4.78 114.28 96.60 1jof n THR 71 Ca 0.19 -0.55 -0.30 0.00 -2.27 0.00 0.00 64.05 61.12 1jof n THR 71 Cb 0.84 1.33 -0.14 0.00 -2.10 0.00 0.00 70.33 70.26 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 -1.60 1.95 -0.16 -0.78 2.02 -0.67 -5.02 118.70 114.43 1jof s GLU 72 Ca 0.25 -2.55 0.01 0.00 0.02 0.00 0.00 54.97 52.70 1jof s GLU 72 Cb 0.17 -3.32 0.01 0.00 0.10 0.00 0.00 34.13 31.09 1jof s GLU 72 CO 0.25 -1.10 -0.20 0.42 0.02 0.00 0.00 175.26 174.66 1jof s ILE 73 N -0.17 2.15 -0.18 -1.63 1.01 -1.26 -1.32 121.20 119.80 1jof s ILE 73 Ca 0.16 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.89 1jof s ILE 73 Cb -0.25 -1.89 0.02 0.00 0.01 0.00 0.00 42.46 40.35 1jof s ILE 73 CO -0.01 0.54 -0.19 -0.69 0.00 0.00 0.00 174.94 174.59 1jof s VAL 74 N 1.07 2.18 0.11 2.92 1.01 -0.07 -4.95 120.40 122.67 1jof s VAL 74 Ca -0.01 -0.90 -0.33 0.00 0.00 0.00 0.00 61.98 60.75 1jof s VAL 74 Cb -0.14 -1.92 -0.12 0.00 0.00 0.00 0.00 36.38 34.20 1jof s VAL 74 CO -0.07 0.53 1.75 1.57 0.00 0.00 0.00 175.10 178.88 1jof n HIS 75 N 4.63 2.47 0.00 5.22 -0.00 -1.26 -1.25 115.22 125.03 1jof n HIS 75 Ca -0.21 0.03 0.00 0.00 0.46 0.00 0.00 57.72 58.00 1jof n HIS 75 Cb 0.50 -2.65 0.00 0.00 -0.12 0.00 0.00 29.99 27.72 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 4.94 3.41 -3.63 1.57 1.02 -0.09 -4.90 120.64 122.96 1jof n GLU 76 Ca 0.18 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.30 1jof n GLU 76 Cb 0.33 -0.74 -0.02 0.00 -0.02 0.00 0.00 31.44 30.99 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 -1.46 -2.16 -0.21 0.62 0.00 -1.05 -4.97 121.76 112.53 1jof s ALA 77 Ca 0.00 1.85 -0.04 0.00 0.00 0.00 0.00 51.96 53.77 1jof s ALA 77 Cb 0.00 -0.56 0.11 0.00 0.00 0.00 0.00 23.12 22.67 1jof s ALA 77 CO 0.00 -0.49 0.32 -1.12 0.00 0.00 0.00 175.76 174.47 1jof s SER 78 N -1.85 0.49 0.15 0.00 0.01 -1.26 -0.43 113.70 110.81 1jof s SER 78 Ca 0.11 0.27 0.03 0.00 1.31 0.00 0.00 55.95 57.67 1jof s SER 78 Cb -0.01 0.89 -0.04 0.00 0.21 0.00 0.00 66.02 67.07 1jof s SER 78 CO -0.04 -0.29 0.24 -1.00 0.41 0.00 0.00 173.24 172.56 1jof s HIS 79 N 2.48 3.38 0.66 2.43 3.76 0.04 -4.85 115.29 123.19 1jof s HIS 79 Ca 0.08 0.08 -0.09 0.00 -0.15 0.00 0.00 55.06 54.98 1jof s HIS 79 Cb -0.15 -1.62 0.02 0.00 1.11 0.00 0.00 32.58 31.94 1jof s HIS 79 CO -0.13 0.52 1.01 -1.25 -0.85 0.00 0.00 174.74 174.04 1jof s PRO 80 N -3.17 2.80 0.05 8.40 0.04 -1.26 -0.57 135.00 141.29 1jof s PRO 80 Ca 0.33 0.20 -0.31 0.00 0.04 0.00 0.00 61.00 61.27 1jof s PRO 80 Cb -0.11 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 1jof s PRO 80 CO 0.27 -0.93 1.20 0.42 0.04 0.00 0.00 177.00 177.99 1jof s ILE 81 N -3.21 4.06 0.52 0.56 1.01 -1.25 -4.78 121.20 118.12 1jof s ILE 81 Ca 0.57 1.47 0.07 0.00 0.00 0.00 0.00 60.65 62.76 1jof s ILE 81 Cb -0.11 -3.95 0.05 0.00 0.01 0.00 0.00 42.46 38.47 1jof s ILE 81 CO 0.48 0.11 0.72 -0.83 0.00 0.00 0.00 174.94 175.42 1jof s GLY 82 N 1.09 1.83 0.00 6.18 0.00 -1.26 -4.57 107.32 110.60 1jof s GLY 82 Ca 0.58 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 43.48 1jof s GLY 82 CO 0.29 -1.49 0.00 0.61 0.00 0.00 0.00 173.10 172.51 1jof n GLY 83 N -2.15 0.86 3.77 0.20 0.00 -1.26 -4.87 105.19 101.73 1jof n GLY 83 Ca 0.12 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 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 3.02 0.24 1.61 5.65 -1.26 -4.93 115.29 119.62 1jof s HIS 84 Ca 0.00 1.35 -0.05 0.00 0.25 0.00 0.00 55.06 56.62 1jof s HIS 84 Cb 0.00 -3.72 0.42 0.00 -1.18 0.00 0.00 32.58 28.11 1jof s HIS 84 CO 0.00 -2.02 1.76 -1.35 -0.65 0.00 0.00 174.74 172.48 1jof h PRO 85 N 3.57 0.55 0.00 2.88 0.11 -1.94 -2.24 132.00 134.93 1jof h PRO 85 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1jof h PRO 85 Cb 1.23 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1jof h PRO 85 CO 0.67 0.36 0.00 0.54 -0.21 0.00 0.00 178.00 179.36 1jof n ARG 86 N -4.90 0.32 -0.34 1.05 1.74 -1.26 -3.92 116.66 109.34 1jof n ARG 86 Ca 0.14 0.01 0.19 0.00 -0.77 0.00 0.00 57.85 57.41 1jof n ARG 86 Cb 0.36 -1.50 0.40 0.00 -1.02 0.00 0.00 32.46 30.69 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 3.30 1.81 0.00 7.54 0.00 -1.65 -1.31 119.26 128.95 1jof h ALA 87 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1jof h ALA 87 Cb 0.33 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1jof h ALA 87 CO 0.00 -0.32 -0.49 0.09 0.00 0.00 0.00 179.25 178.53 1jof n ASN 88 N -4.92 0.53 -4.66 0.00 3.02 -1.25 -4.56 115.26 103.41 1jof n ASN 88 Ca 0.28 -0.01 -0.44 0.00 -0.03 0.00 0.00 54.58 54.38 1jof n ASN 88 Cb 0.79 0.12 -0.02 0.00 -0.61 0.00 0.00 39.78 40.06 1jof n ASN 88 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1jof n ASP 89 N -1.75 2.44 0.00 6.41 8.00 -0.50 -4.82 116.55 126.33 1jof n ASP 89 Ca 0.05 1.18 0.06 0.00 0.71 0.00 0.00 54.79 56.79 1jof n ASP 89 Cb 0.38 -1.42 0.29 0.00 -0.02 0.00 0.00 41.12 40.35 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 0.88 1.64 0.79 2.24 0.00 -1.26 -2.50 120.51 122.30 1jof n ALA 90 Ca 0.08 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.59 1jof n ALA 90 Cb 0.33 -1.22 0.23 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.47 2.86 -4.73 0.00 5.68 -1.26 -4.94 116.55 112.69 1jof n ASP 91 Ca 0.04 -1.91 -0.27 0.00 -0.50 0.00 0.00 54.79 52.15 1jof n ASP 91 Cb 0.15 -0.12 -0.07 0.00 -1.14 0.00 0.00 41.12 39.94 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 -1.76 4.14 -2.06 2.12 -4.23 -1.04 -5.02 115.64 107.80 1jof s THR 92 Ca 0.34 -1.20 0.21 0.00 -1.18 0.00 0.00 61.69 59.85 1jof s THR 92 Cb 0.21 -3.09 0.56 0.00 1.34 0.00 0.00 72.50 71.52 1jof s THR 92 CO 0.31 -0.08 1.74 -0.46 -0.54 0.00 0.00 174.62 175.59 1jof n ASN 93 N -0.16 0.30 -4.62 3.99 0.23 -1.26 -4.90 115.26 108.83 1jof n ASN 93 Ca -0.09 -1.42 -0.46 0.00 -0.53 0.00 0.00 54.58 52.08 1jof n ASN 93 Cb 0.55 -0.02 -0.03 0.00 -2.08 0.00 0.00 39.78 38.20 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 -0.62 1.30 -3.80 5.53 -1.04 -1.26 -4.73 114.28 109.66 1jof n THR 94 Ca 0.15 -0.32 -0.13 0.00 -2.04 0.00 0.00 64.05 61.71 1jof n THR 94 Cb 0.12 -1.16 -0.13 0.00 -1.82 0.00 0.00 70.33 67.34 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 -0.83 0.16 -0.15 -2.82 3.52 -0.78 -4.80 118.95 113.25 1jof s ARG 95 Ca 0.66 0.25 -0.29 0.00 -0.13 0.00 0.00 55.73 56.22 1jof s ARG 95 Cb -0.72 0.02 -0.04 0.00 -1.56 0.00 0.00 34.95 32.65 1jof s ARG 95 CO 0.54 -0.06 1.75 0.00 -0.81 0.00 0.00 175.30 176.73 1jof s ALA 96 N 0.34 3.31 -0.10 6.12 0.00 -1.26 -0.29 121.76 129.88 1jof s ALA 96 Ca -0.02 0.72 0.03 0.00 0.00 0.00 0.00 51.96 52.69 1jof s ALA 96 Cb -0.03 -3.86 -0.08 0.00 0.00 0.00 0.00 23.12 19.14 1jof s ALA 96 CO -0.01 -1.90 -0.06 1.51 0.00 0.00 0.00 175.76 175.30 1jof n ILE 97 N 6.28 0.62 -4.04 0.00 0.13 -0.57 -4.33 119.36 117.45 1jof n ILE 97 Ca 0.20 -0.28 -0.09 0.00 -1.10 0.00 0.00 62.75 61.48 1jof n ILE 97 Cb 0.44 -0.85 -0.11 0.00 -0.84 0.00 0.00 39.64 38.28 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 -2.22 0.44 -0.06 9.51 5.36 -1.15 -4.65 117.98 125.21 1jof s PHE 98 Ca -0.11 -0.73 -0.06 0.00 -0.96 0.00 0.00 56.93 55.07 1jof s PHE 98 Cb 0.03 -0.30 0.02 0.00 -0.34 0.00 0.00 43.02 42.43 1jof s PHE 98 CO 0.29 -0.24 0.17 -1.17 -1.46 0.00 0.00 175.22 172.80 1jof s LEU 99 N -2.07 1.30 -0.05 6.12 2.96 -1.26 -0.99 118.68 124.68 1jof s LEU 99 Ca -0.06 0.33 0.00 0.00 -0.22 0.00 0.00 54.13 54.19 1jof s LEU 99 Cb -0.03 0.56 0.02 0.00 0.50 0.00 0.00 46.19 47.24 1jof s LEU 99 CO -0.04 -0.07 -0.03 -0.22 -1.32 0.00 0.00 176.35 174.67 1jof s LEU 100 N 0.19 1.11 -0.31 -0.68 2.96 0.81 -4.89 118.68 117.86 1jof s LEU 100 Ca -0.01 -0.11 -0.09 0.00 -0.22 0.00 0.00 54.13 53.70 1jof s LEU 100 Cb -0.02 -0.44 -0.00 0.00 0.50 0.00 0.00 46.19 46.23 1jof s LEU 100 CO -0.00 -0.10 0.15 0.00 -1.32 0.00 0.00 176.35 175.08 1jof s ALA 101 N 1.24 3.26 0.45 5.97 0.00 -1.26 -0.36 121.76 131.06 1jof s ALA 101 Ca -0.06 -1.41 -0.24 0.00 0.00 0.00 0.00 51.96 50.24 1jof s ALA 101 Cb -0.14 -2.37 -0.09 0.00 0.00 0.00 0.00 23.12 20.52 1jof s ALA 101 CO -0.02 -0.93 1.28 0.00 0.00 0.00 0.00 175.76 176.09 1jof n ALA 102 N 4.97 1.34 0.83 0.00 0.00 -0.67 -4.80 120.51 122.19 1jof n ALA 102 Ca -0.14 0.23 0.10 0.00 0.00 0.00 0.00 53.44 53.63 1jof n ALA 102 Cb 0.49 -2.28 0.08 0.00 0.00 0.00 0.00 19.45 17.73 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 -0.20 1.76 -4.41 0.00 5.02 -1.26 -4.49 118.16 114.59 1jof n LYS 103 Ca 0.07 -1.65 -0.25 0.00 -2.02 0.00 0.00 58.31 54.46 1jof n LYS 103 Cb 0.41 -1.38 -0.10 0.00 -0.02 0.00 0.00 35.03 33.93 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 -1.70 1.73 0.47 1.97 -1.52 -1.26 -4.93 119.66 114.43 1jof s GLN 104 Ca 0.23 -1.57 -0.22 0.00 -1.95 0.00 0.00 55.36 51.85 1jof s GLN 104 Cb 0.17 -1.89 -0.09 0.00 -0.22 0.00 0.00 33.01 30.97 1jof s GLN 104 CO 0.26 0.38 0.89 -2.30 -0.25 0.00 0.00 175.29 174.26 1jof n PRO 105 N -0.20 1.07 -0.26 2.91 -0.02 -1.26 -0.89 135.00 136.34 1jof n PRO 105 Ca -0.09 0.39 0.02 0.00 -2.02 0.00 0.00 63.50 61.80 1jof n PRO 105 Cb 0.58 -1.96 0.12 0.00 -0.02 0.00 0.00 33.50 32.22 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 -0.04 2.12 -2.65 0.52 -0.04 -1.26 -4.93 135.00 128.72 1jof n PRO 106 Ca 0.11 -0.96 -0.21 0.00 -0.04 0.00 0.00 63.50 62.40 1jof n PRO 106 Cb 0.42 -1.66 0.01 0.00 -0.04 0.00 0.00 33.50 32.22 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 0.19 -1.40 -0.91 0.54 4.02 -0.07 -4.65 117.16 114.88 1jof n TYR 107 Ca 0.08 0.21 -0.30 0.00 -0.01 0.00 0.00 57.90 57.88 1jof n TYR 107 Cb 0.50 -4.17 0.16 0.00 -0.02 0.00 0.00 39.34 35.81 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 -3.09 1.20 -0.10 -0.72 0.00 -1.26 -4.54 121.76 113.24 1jof s ALA 108 Ca 0.12 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.28 1jof s ALA 108 Cb -0.05 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 1jof s ALA 108 CO 0.15 -2.72 -0.17 0.08 0.00 0.00 0.00 175.76 173.11 1jof s VAL 109 N -2.74 2.74 -0.20 0.00 1.01 -0.18 -1.67 120.40 119.35 1jof s VAL 109 Ca 0.65 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 1jof s VAL 109 Cb -0.21 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 1jof s VAL 109 CO 0.59 0.55 -0.05 -0.31 0.00 0.00 0.00 175.10 175.88 1jof s TYR 110 N 0.11 2.96 0.07 5.22 1.51 0.51 -0.81 117.35 126.92 1jof s TYR 110 Ca -0.08 -0.74 0.08 0.00 -1.01 0.00 0.00 57.07 55.32 1jof s TYR 110 Cb -0.15 -2.05 -0.03 0.00 -0.11 0.00 0.00 41.96 39.62 1jof s TYR 110 CO 0.05 -0.39 -0.20 0.00 -1.11 0.00 0.00 175.55 173.90 1jof s ALA 111 N 1.12 1.74 -0.18 3.71 0.00 0.40 -0.14 121.76 128.42 1jof s ALA 111 Ca 0.02 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 50.86 1jof s ALA 111 Cb -0.15 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.70 1jof s ALA 111 CO -0.00 0.37 -0.20 -0.80 0.00 0.00 0.00 175.76 175.13 1jof s ASN 112 N -1.49 3.11 0.74 0.00 0.01 -0.16 -0.81 114.94 116.34 1jof s ASN 112 Ca 0.07 -0.65 -0.11 0.00 -0.71 0.00 0.00 52.86 51.46 1jof s ASN 112 Cb -0.09 -1.46 0.04 0.00 0.41 0.00 0.00 41.25 40.14 1jof s ASN 112 CO 0.03 -0.00 1.12 -2.16 -1.51 0.00 0.00 177.10 174.57 1jof s PRO 113 N 1.30 2.55 0.11 -0.60 0.04 -1.26 -1.52 135.00 135.62 1jof s PRO 113 Ca 0.05 0.31 -0.05 0.00 0.04 0.00 0.00 61.00 61.35 1jof s PRO 113 Cb -0.13 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1jof s PRO 113 CO -0.13 -1.22 0.12 0.12 0.04 0.00 0.00 177.00 175.94 1jof s PHE 114 N -3.42 0.50 0.00 0.56 5.36 0.60 -4.42 117.98 117.17 1jof s PHE 114 Ca 0.59 -0.93 0.00 0.00 -0.96 0.00 0.00 56.93 55.64 1jof s PHE 114 Cb -0.11 -0.26 0.00 0.00 -0.34 0.00 0.00 43.02 42.31 1jof s PHE 114 CO 0.50 -0.54 0.00 0.66 -1.46 0.00 0.00 175.22 174.38 1jof n TYR 115 N -0.07 0.00 -1.61 10.12 4.02 -1.26 -1.87 117.16 126.49 1jof n TYR 115 Ca -0.10 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.48 1jof n TYR 115 Cb 0.63 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.99 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 2.99 -1.35 -0.72 1.02 -1.26 -3.99 119.74 116.43 1jof s LYS 116 Ca 0.00 0.95 -0.03 0.00 0.02 0.00 0.00 55.97 56.91 1jof s LYS 116 Cb 0.00 -2.00 -0.00 0.00 -0.52 0.00 0.00 37.83 35.31 1jof s LYS 116 CO 0.00 -1.06 0.52 1.19 -0.92 0.00 0.00 175.35 175.09 1jof n PHE 117 N -3.06 -1.73 -1.63 3.18 3.01 -1.26 -4.24 117.46 111.72 1jof n PHE 117 Ca 0.07 0.72 0.06 0.00 1.01 0.00 0.00 57.45 59.31 1jof n PHE 117 Cb 0.54 -3.82 0.12 0.00 -0.01 0.00 0.00 39.48 36.30 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 -4.35 2.71 0.73 4.37 0.00 -1.26 -4.53 120.51 118.18 1jof n ALA 118 Ca -0.28 -2.55 0.00 0.00 0.00 0.00 0.00 53.44 50.61 1jof n ALA 118 Cb 0.67 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.79 0.72 3.07 0.00 0.00 -1.26 -4.58 105.19 102.36 1jof n GLY 119 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.15 0.52 0.16 1.61 1.51 -1.26 -1.37 117.35 117.37 1jof s TYR 120 Ca 0.00 -0.89 0.03 0.00 -1.01 0.00 0.00 57.07 55.20 1jof s TYR 120 Cb 0.00 -0.36 -0.04 0.00 -0.11 0.00 0.00 41.96 41.45 1jof s TYR 120 CO 0.00 -0.29 0.26 0.20 -1.11 0.00 0.00 175.55 174.62 1jof s GLY 121 N -2.52 1.68 -0.16 0.71 0.00 0.56 -4.32 107.32 103.27 1jof s GLY 121 Ca 0.01 -1.07 0.01 0.00 0.00 0.00 0.00 44.72 43.68 1jof s GLY 121 CO -0.07 -1.07 -0.19 -1.31 0.00 0.00 0.00 173.10 170.46 1jof s ASN 122 N -3.25 3.27 -0.13 1.64 0.02 0.01 -2.64 114.94 113.86 1jof s ASN 122 Ca 0.34 -0.58 -0.02 0.00 -1.02 0.00 0.00 52.86 51.58 1jof s ASN 122 Cb -0.11 -1.49 -0.03 0.00 0.02 0.00 0.00 41.25 39.65 1jof s ASN 122 CO 0.28 0.06 -0.06 -0.69 0.02 0.00 0.00 177.10 176.70 1jof s VAL 123 N 0.95 3.71 -0.04 1.60 1.01 -0.01 -0.45 120.40 127.16 1jof s VAL 123 Ca -0.03 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.57 1jof s VAL 123 Cb -0.15 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 1jof s VAL 123 CO -0.04 0.52 -0.21 -0.36 0.00 0.00 0.00 175.10 175.01 1jof s PHE 124 N 0.10 2.04 0.56 5.22 0.40 0.01 -1.10 117.98 125.20 1jof s PHE 124 Ca -0.02 -0.55 -0.04 0.00 -0.60 0.00 0.00 56.93 55.72 1jof s PHE 124 Cb -0.14 -1.34 0.01 0.00 0.51 0.00 0.00 43.02 42.06 1jof s PHE 124 CO 0.03 -0.16 0.84 -1.54 0.70 0.00 0.00 175.22 175.09 1jof s SER 125 N -0.16 5.59 0.18 1.36 1.04 -0.40 -1.01 113.70 120.30 1jof s SER 125 Ca -0.01 0.54 0.09 0.00 0.48 0.00 0.00 55.95 57.05 1jof s SER 125 Cb -0.12 -1.58 -0.04 0.00 0.10 0.00 0.00 66.02 64.39 1jof s SER 125 CO 0.02 -1.00 -0.20 0.68 0.98 0.00 0.00 173.24 173.72 1jof s VAL 126 N -2.87 1.98 1.08 5.02 -7.23 -1.26 -0.61 120.40 116.50 1jof s VAL 126 Ca 0.53 -1.99 -0.17 0.00 -1.81 0.00 0.00 61.98 58.54 1jof s VAL 126 Cb -0.10 -1.95 0.23 0.00 0.56 0.00 0.00 36.38 35.12 1jof s VAL 126 CO 0.43 -0.29 1.16 -0.94 -0.31 0.00 0.00 175.10 175.16 1jof s SER 127 N -2.75 2.04 0.66 4.85 1.04 0.09 -4.79 113.70 114.85 1jof s SER 127 Ca 0.18 0.65 0.42 0.00 0.48 0.00 0.00 55.95 57.69 1jof s SER 127 Cb -0.06 -0.95 2.33 0.00 0.10 0.00 0.00 66.02 67.44 1jof s SER 127 CO 0.08 -3.43 2.34 1.05 0.98 0.00 0.00 173.24 174.25 1jof h GLU 128 N -2.11 0.00 -0.02 4.02 9.09 -2.01 0.66 114.58 124.21 1jof h GLU 128 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.94 1jof h GLU 128 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 1jof h GLU 128 CO 0.42 0.00 -0.21 0.25 0.05 0.00 0.00 179.01 179.52 1jof n THR 129 N -3.15 0.00 -0.45 -1.06 -2.24 -1.26 -4.95 114.28 101.17 1jof n THR 129 Ca -0.03 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1jof n THR 129 Cb 0.09 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 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 1.34 0.76 3.79 3.38 0.00 0.23 -4.90 105.19 109.78 1jof n GLY 130 Ca 0.13 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.66 4.51 -0.19 1.61 2.20 -1.26 -4.69 119.74 121.27 1jof s LYS 131 Ca 0.00 1.22 -0.28 0.00 -0.36 0.00 0.00 55.97 56.55 1jof s LYS 131 Cb 0.00 -2.84 -0.06 0.00 -1.51 0.00 0.00 37.83 33.42 1jof s LYS 131 CO 0.00 0.32 2.19 1.28 -0.36 0.00 0.00 175.35 178.78 1jof n LEU 132 N 0.64 3.36 -0.01 5.43 4.77 -1.26 -0.73 117.00 129.20 1jof n LEU 132 Ca 0.01 0.30 -0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1jof n LEU 132 Cb 0.50 -1.55 -0.00 0.00 -2.33 0.00 0.00 43.42 40.04 1jof n LEU 132 CO 0.44 -0.57 -0.04 -0.08 -1.33 0.00 0.00 177.39 175.81 1jof h GLU 133 N 14.44 0.00 -3.02 3.23 4.57 -1.17 -3.46 114.58 129.17 1jof h GLU 133 Ca -0.42 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 57.63 1jof h GLU 133 Cb 1.24 0.00 -0.22 0.00 -0.16 0.00 0.00 28.75 29.61 1jof h GLU 133 CO 0.96 0.00 -0.31 0.21 -1.18 0.00 0.00 179.01 178.68 1jof s LYS 134 N -1.17 0.52 -0.61 1.92 2.20 -1.20 -4.96 119.74 116.44 1jof s LYS 134 Ca -0.02 0.10 -0.27 0.00 -0.36 0.00 0.00 55.97 55.42 1jof s LYS 134 Cb 0.00 0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.56 1jof s LYS 134 CO 0.02 -0.12 1.57 1.21 -0.36 0.00 0.00 175.35 177.68 1jof s ASN 135 N -0.63 5.80 0.23 1.43 3.84 -1.26 -1.28 114.94 123.07 1jof s ASN 135 Ca -0.07 0.20 0.24 0.00 0.21 0.00 0.00 52.86 53.44 1jof s ASN 135 Cb -0.04 -2.54 0.43 0.00 -0.55 0.00 0.00 41.25 38.55 1jof s ASN 135 CO 0.02 -1.99 1.48 -0.37 -2.79 0.00 0.00 177.10 173.45 1jof h VAL 136 N 6.51 0.00 -1.81 -5.21 -1.51 -1.46 -3.47 116.25 109.30 1jof h VAL 136 Ca -0.27 -0.67 0.01 0.00 -1.23 0.00 0.00 66.70 64.53 1jof h VAL 136 Cb 1.11 1.46 -0.22 0.00 -2.13 0.00 0.00 31.29 31.51 1jof h VAL 136 CO 1.21 0.00 0.31 -1.58 -1.23 0.00 0.00 177.57 176.27 1jof s GLN 137 N -3.19 0.74 -0.45 5.19 0.74 -1.19 -5.01 119.66 116.50 1jof s GLN 137 Ca 0.07 0.60 0.03 0.00 0.05 0.00 0.00 55.36 56.10 1jof s GLN 137 Cb 0.11 0.36 0.12 0.00 1.10 0.00 0.00 33.01 34.70 1jof s GLN 137 CO 0.68 -0.15 0.21 -0.80 -0.55 0.00 0.00 175.29 174.68 1jof s ASN 138 N -0.21 4.12 0.20 6.67 0.01 -1.26 -0.83 114.94 123.64 1jof s ASN 138 Ca -0.02 -2.63 -0.21 0.00 -0.71 0.00 0.00 52.86 49.30 1jof s ASN 138 Cb -0.03 -1.36 -0.08 0.00 0.41 0.00 0.00 41.25 40.19 1jof s ASN 138 CO 0.01 -0.28 0.72 -0.72 -1.51 0.00 0.00 177.10 175.32 1jof s TYR 139 N 0.28 3.71 0.18 2.20 -0.85 -1.08 -4.82 117.35 116.97 1jof s TYR 139 Ca 0.16 1.43 -0.03 0.00 -0.52 0.00 0.00 57.07 58.11 1jof s TYR 139 Cb -0.24 -2.64 -0.05 0.00 0.38 0.00 0.00 41.96 39.41 1jof s TYR 139 CO -0.03 0.39 0.39 -1.83 -1.52 0.00 0.00 175.55 172.95 1jof s GLU 140 N -1.74 3.57 0.00 -3.49 -1.05 -1.26 -0.32 118.70 114.40 1jof s GLU 140 Ca 0.40 -0.21 0.00 0.00 -0.15 0.00 0.00 54.97 55.01 1jof s GLU 140 Cb -0.18 -2.83 0.00 0.00 -0.44 0.00 0.00 34.13 30.67 1jof s GLU 140 CO 0.22 0.42 0.00 0.66 0.95 0.00 0.00 175.26 177.51 1jof n TYR 141 N -0.34 0.00 -3.86 4.83 4.02 -0.47 -4.93 117.16 116.41 1jof n TYR 141 Ca -0.03 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.75 1jof n TYR 141 Cb 0.53 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.76 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 0.66 0.40 -0.72 -2.07 -1.25 -5.03 119.66 113.03 1jof s GLN 142 Ca 0.00 -0.62 0.22 0.00 -1.82 0.00 0.00 55.36 53.14 1jof s GLN 142 Cb 0.00 0.27 1.24 0.00 -1.09 0.00 0.00 33.01 33.43 1jof s GLN 142 CO 0.00 -0.19 1.68 1.05 -1.32 0.00 0.00 175.29 176.51 1jof h GLU 143 N 3.55 0.23 0.00 9.60 4.11 -1.97 0.15 114.58 130.25 1jof h GLU 143 Ca -0.32 -0.01 -0.06 0.00 0.07 0.00 0.00 59.36 59.04 1jof h GLU 143 Cb 1.19 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1jof h GLU 143 CO 0.48 0.16 -0.28 -0.97 0.07 0.00 0.00 179.01 178.47 1jof h ASN 144 N 0.24 0.00 -3.03 3.06 -1.24 -1.96 -3.38 115.58 109.28 1jof h ASN 144 Ca 0.73 0.00 -0.58 0.00 0.71 0.00 0.00 56.30 57.16 1jof h ASN 144 Cb 2.00 0.00 0.16 0.00 0.73 0.00 0.00 38.32 41.21 1jof h ASN 144 CO -0.43 0.28 -0.19 0.41 -1.29 0.00 0.00 177.43 176.21 1jof n THR 145 N -4.16 2.55 -2.95 -3.57 -1.04 0.53 -4.13 114.28 101.50 1jof n THR 145 Ca -0.02 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.05 61.36 1jof n THR 145 Cb 0.33 -0.84 -0.01 0.00 -1.82 0.00 0.00 70.33 67.98 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 1.57 0.74 3.72 3.41 0.00 -1.26 -4.35 105.19 109.03 1jof n GLY 146 Ca 0.12 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 0.29 3.43 0.00 -0.61 -1.09 -1.26 -1.24 121.20 120.72 1jof s ILE 147 Ca 0.32 1.09 0.00 0.00 -2.23 0.00 0.00 60.65 59.83 1jof s ILE 147 Cb 0.11 -3.70 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 1jof s ILE 147 CO -0.15 0.12 0.55 1.57 -1.23 0.00 0.00 174.94 175.80 1jof n HIS 148 N 3.33 0.00 -3.67 3.97 -0.00 -0.74 -4.75 115.22 113.36 1jof n HIS 148 Ca 0.08 -0.05 0.02 0.00 0.46 0.00 0.00 57.72 58.23 1jof n HIS 148 Cb 0.43 -0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 30.30 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 -0.10 -0.37 0.00 1.57 0.00 -1.14 -4.74 107.32 102.54 1jof s GLY 149 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 44.72 45.31 1jof s GLY 149 CO 0.00 0.80 0.00 1.55 0.00 0.00 0.00 173.10 175.45 1jof n VAL 151 N -0.54 0.00 -3.04 1.40 3.14 -0.83 -0.70 118.33 117.75 1jof n VAL 151 Ca -0.07 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.06 1jof n VAL 151 Cb 0.62 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 33.40 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 -1.33 3.47 0.66 1.45 0.40 -1.26 -1.04 117.98 120.34 1jof s PHE 152 Ca 0.00 0.49 -0.11 0.00 -0.60 0.00 0.00 56.93 56.71 1jof s PHE 152 Cb 0.00 -2.12 -0.00 0.00 0.51 0.00 0.00 43.02 41.41 1jof s PHE 152 CO 0.00 -0.11 1.05 0.16 0.70 0.00 0.00 175.22 177.02 1jof s ASP 153 N -4.10 5.73 0.58 1.36 1.47 -0.72 -4.88 116.67 116.10 1jof s ASP 153 Ca 0.44 1.19 0.32 0.00 1.18 0.00 0.00 52.55 55.68 1jof s ASP 153 Cb -0.10 -2.09 1.40 0.00 -0.34 0.00 0.00 42.92 41.79 1jof s ASP 153 CO 0.39 -1.15 1.72 -0.65 0.68 0.00 0.00 175.17 176.17 1jof h PRO 154 N -0.49 0.00 0.00 2.11 0.11 -1.86 0.11 132.00 131.98 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 -0.42 1.15 -0.21 0.00 0.00 178.00 179.15 1jof h THR 155 N 0.00 0.00 -4.32 -1.15 2.02 -1.95 -3.48 112.91 104.03 1jof h THR 155 Ca 0.43 -0.95 -0.25 0.00 0.77 0.00 0.00 66.41 66.41 1jof h THR 155 Cb 2.06 1.73 0.10 0.00 -1.74 0.00 0.00 68.15 70.30 1jof h THR 155 CO -0.00 0.00 -0.48 -0.62 0.37 0.00 0.00 175.52 174.79 1jof n GLU 156 N -2.84 -5.00 -0.01 6.66 1.02 0.38 -4.92 120.64 115.92 1jof n GLU 156 Ca 0.02 0.56 0.02 0.00 -0.02 0.00 0.00 57.16 57.74 1jof n GLU 156 Cb 0.53 -4.76 -0.06 0.00 -0.02 0.00 0.00 31.44 27.12 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 -3.77 0.15 -4.49 2.62 -1.04 -1.26 -4.77 114.28 101.72 1jof n THR 157 Ca -0.07 -0.23 -0.21 0.00 -2.04 0.00 0.00 64.05 61.50 1jof n THR 157 Cb 0.57 -0.01 -0.15 0.00 -1.82 0.00 0.00 70.33 68.92 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 -2.46 1.07 -0.13 -1.42 1.51 -1.26 -0.48 117.35 114.18 1jof s TYR 158 Ca -0.03 -0.25 0.01 0.00 -1.01 0.00 0.00 57.07 55.79 1jof s TYR 158 Cb 0.04 -0.73 -0.01 0.00 -0.11 0.00 0.00 41.96 41.16 1jof s TYR 158 CO 0.33 -0.07 -0.17 -1.17 -1.11 0.00 0.00 175.55 173.37 1jof s LEU 159 N -0.03 2.45 -0.11 -1.29 2.96 0.25 -1.76 118.68 121.16 1jof s LEU 159 Ca 0.00 -0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 53.45 1jof s LEU 159 Cb -0.07 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 1jof s LEU 159 CO 0.00 0.13 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.80 1jof s TYR 160 N 0.55 2.99 -0.05 5.38 1.51 -0.21 -0.18 117.35 127.34 1jof s TYR 160 Ca -0.10 -0.14 0.05 0.00 -1.01 0.00 0.00 57.07 55.87 1jof s TYR 160 Cb -0.16 -1.83 -0.01 0.00 -0.11 0.00 0.00 41.96 39.85 1jof s TYR 160 CO 0.04 0.15 -0.21 -1.12 -1.11 0.00 0.00 175.55 173.30 1jof s SER 161 N -0.25 2.63 -0.50 2.29 0.01 -0.53 -1.96 113.70 115.40 1jof s SER 161 Ca 0.04 -0.43 -0.20 0.00 1.31 0.00 0.00 55.95 56.67 1jof s SER 161 Cb -0.13 -0.70 0.05 0.00 0.21 0.00 0.00 66.02 65.45 1jof s SER 161 CO 0.02 0.20 0.65 0.00 0.41 0.00 0.00 173.24 174.53 1jof s ALA 162 N -0.09 3.36 -0.68 1.44 0.00 0.12 -1.35 121.76 124.55 1jof s ALA 162 Ca -0.03 -1.61 -0.19 0.00 0.00 0.00 0.00 51.96 50.13 1jof s ALA 162 Cb -0.12 -3.37 0.11 0.00 0.00 0.00 0.00 23.12 19.73 1jof s ALA 162 CO 0.03 -2.00 0.84 0.34 0.00 0.00 0.00 175.76 174.96 1jof s ASP 163 N 2.58 6.29 0.03 0.00 -1.08 0.21 -1.79 116.67 122.91 1jof s ASP 163 Ca 0.18 -1.52 -0.26 0.00 -0.52 0.00 0.00 52.55 50.43 1jof s ASP 163 Cb -0.18 -2.34 -0.17 0.00 -1.46 0.00 0.00 42.92 38.77 1jof s ASP 163 CO 0.14 -1.15 1.39 0.25 0.52 0.00 0.00 175.17 176.33 1jof h LEU 164 N 10.21 -0.27 -0.41 -1.34 6.46 -0.10 -0.70 115.31 129.15 1jof h LEU 164 Ca -0.19 -0.17 -0.10 0.00 -0.12 0.00 0.00 57.88 57.30 1jof h LEU 164 Cb 1.07 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 41.05 1jof h LEU 164 CO 1.10 0.02 -0.50 0.71 -0.62 0.00 0.00 178.44 179.15 1jof h THR 165 N -0.57 0.96 -0.01 1.05 1.35 -1.85 -2.93 112.91 110.91 1jof h THR 165 Ca -0.03 -2.03 0.00 0.00 -0.55 0.00 0.00 66.41 63.79 1jof h THR 165 Cb 0.42 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 1jof h THR 165 CO 0.05 0.49 -0.23 0.00 -0.25 0.00 0.00 175.52 175.58 1jof n ALA 166 N -2.27 3.02 -3.57 6.62 0.00 -1.23 -4.93 120.51 118.15 1jof n ALA 166 Ca 0.01 -0.41 -0.21 0.00 0.00 0.00 0.00 53.44 52.83 1jof n ALA 166 Cb 0.66 -1.14 0.05 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.57 -3.29 -3.57 0.00 5.15 -0.35 -4.94 115.26 107.69 1jof n ASN 167 Ca 0.13 -0.81 -0.10 0.00 -0.60 0.00 0.00 54.58 53.20 1jof n ASN 167 Cb 0.35 -4.30 -0.03 0.00 -0.53 0.00 0.00 39.78 35.27 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 -5.56 1.83 -0.11 1.20 -2.85 -0.72 -1.34 119.74 112.20 1jof s LYS 168 Ca 0.20 -1.33 0.03 0.00 -1.00 0.00 0.00 55.97 53.87 1jof s LYS 168 Cb -0.05 0.53 0.00 0.00 -2.06 0.00 0.00 37.83 36.26 1jof s LYS 168 CO 0.80 -0.81 -0.22 -0.51 0.10 0.00 0.00 175.35 174.71 1jof s LEU 169 N -3.05 2.05 0.17 2.77 1.43 0.28 -0.62 118.68 121.71 1jof s LEU 169 Ca 0.20 -0.55 0.05 0.00 -1.03 0.00 0.00 54.13 52.80 1jof s LEU 169 Cb -0.03 -1.37 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 1jof s LEU 169 CO 0.11 0.12 0.14 0.26 0.23 0.00 0.00 176.35 177.22 1jof s TRP 170 N 0.52 3.15 -0.08 0.29 0.52 -0.46 -0.79 118.94 122.09 1jof s TRP 170 Ca -0.15 -0.02 0.02 0.00 0.02 0.00 0.00 56.10 55.97 1jof s TRP 170 Cb -0.17 -1.51 0.02 0.00 -1.15 0.00 0.00 33.47 30.66 1jof s TRP 170 CO 0.05 0.52 -0.11 0.99 0.02 0.00 0.00 176.95 178.42 1jof s THR 171 N -1.77 1.13 0.14 2.01 2.01 0.85 -1.45 115.64 118.56 1jof s THR 171 Ca 0.31 -0.44 0.09 0.00 0.31 0.00 0.00 61.69 61.96 1jof s THR 171 Cb -0.10 -1.06 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 1jof s THR 171 CO 0.24 0.36 -0.20 -1.00 -0.69 0.00 0.00 174.62 173.33 1jof s HIS 172 N 0.93 1.88 -0.17 4.92 3.76 0.74 -1.28 115.29 126.08 1jof s HIS 172 Ca -0.09 -0.44 -0.08 0.00 -0.15 0.00 0.00 55.06 54.30 1jof s HIS 172 Cb -0.15 -0.97 -0.04 0.00 1.11 0.00 0.00 32.58 32.52 1jof s HIS 172 CO 0.00 0.30 0.10 -0.98 -0.85 0.00 0.00 174.74 173.32 1jof s ARG 173 N -2.43 3.93 -0.30 1.40 3.03 0.14 -0.58 118.95 124.13 1jof s ARG 173 Ca 0.13 -0.25 -0.16 0.00 2.03 0.00 0.00 55.73 57.47 1jof s ARG 173 Cb -0.08 -3.28 -0.02 0.00 -1.03 0.00 0.00 34.95 30.54 1jof s ARG 173 CO 0.06 0.40 0.44 0.21 -1.13 0.00 0.00 175.30 175.28 1jof s LYS 174 N 0.04 3.84 0.84 3.89 2.20 0.37 -1.40 119.74 129.52 1jof s LYS 174 Ca 0.08 -0.04 -0.12 0.00 -0.36 0.00 0.00 55.97 55.53 1jof s LYS 174 Cb -0.12 -3.72 0.09 0.00 -1.51 0.00 0.00 37.83 32.57 1jof s LYS 174 CO -0.00 -0.44 1.10 -0.51 -0.36 0.00 0.00 175.35 175.14 1jof s LEU 175 N 2.20 2.43 0.51 5.43 1.43 0.11 -4.81 118.68 125.97 1jof s LEU 175 Ca 0.17 1.31 0.16 0.00 -1.03 0.00 0.00 54.13 54.74 1jof s LEU 175 Cb -0.16 -3.84 1.24 0.00 0.03 0.00 0.00 46.19 43.47 1jof s LEU 175 CO 0.11 -2.23 2.12 0.00 0.23 0.00 0.00 176.35 176.59 1jof h ALA 176 N -1.27 2.02 0.00 4.21 0.00 -1.97 -0.39 119.26 121.86 1jof h ALA 176 Ca -0.48 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1jof h ALA 176 Cb 1.28 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1jof h ALA 176 CO 0.58 -0.04 -0.03 0.66 0.00 0.00 0.00 179.25 180.42 1jof h SER 177 N 0.06 0.00 0.00 0.00 4.64 -1.97 -3.42 113.55 112.86 1jof h SER 177 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1jof h SER 177 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1jof h SER 177 CO -0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 1jof n GLY 178 N -0.46 2.19 3.84 -0.77 0.00 -0.16 -4.84 105.19 104.99 1jof n GLY 178 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.52 3.51 0.48 1.61 2.02 -1.26 -4.71 118.70 119.84 1jof s GLU 179 Ca 0.00 0.91 0.07 0.00 0.02 0.00 0.00 54.97 55.97 1jof s GLU 179 Cb 0.00 -2.07 0.01 0.00 0.10 0.00 0.00 34.13 32.17 1jof s GLU 179 CO 0.00 -0.64 0.38 0.14 0.02 0.00 0.00 175.26 175.17 1jof s VAL 180 N -2.90 2.14 -0.21 2.63 -7.23 -1.26 0.08 120.40 113.65 1jof s VAL 180 Ca 0.58 -1.44 -0.12 0.00 -1.81 0.00 0.00 61.98 59.18 1jof s VAL 180 Cb -0.12 -2.58 0.07 0.00 0.56 0.00 0.00 36.38 34.30 1jof s VAL 180 CO 0.46 0.00 0.52 -0.70 -0.31 0.00 0.00 175.10 175.07 1jof s GLU 181 N -4.19 0.52 0.42 4.82 2.12 -0.49 -4.88 118.70 117.02 1jof s GLU 181 Ca 0.42 0.94 -0.26 0.00 0.36 0.00 0.00 54.97 56.42 1jof s GLU 181 Cb -0.02 0.06 -0.09 0.00 0.26 0.00 0.00 34.13 34.34 1jof s GLU 181 CO 0.25 -0.15 1.41 -1.17 -0.54 0.00 0.00 175.26 175.06 1jof s LEU 182 N 1.38 4.19 -0.06 2.70 2.96 -1.26 0.23 118.68 128.83 1jof s LEU 182 Ca -0.09 2.89 -0.02 0.00 -0.22 0.00 0.00 54.13 56.69 1jof s LEU 182 Cb -0.07 -3.85 -0.03 0.00 0.50 0.00 0.00 46.19 42.74 1jof s LEU 182 CO -0.14 -1.02 -0.07 0.52 -1.32 0.00 0.00 176.35 174.32 1jof n VAL 183 N 0.06 0.31 -2.67 1.68 0.31 -0.40 -4.76 118.33 112.86 1jof n VAL 183 Ca 0.04 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1jof n VAL 183 Cb 0.41 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 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 2.71 -1.44 3.36 2.92 0.00 -0.98 -5.00 105.19 106.76 1jof n GLY 184 Ca -0.11 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 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 -3.10 -0.19 0.00 1.61 1.04 -1.26 -0.10 113.70 111.70 1jof s SER 185 Ca 0.00 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1jof s SER 185 Cb 0.00 0.49 -0.00 0.00 0.10 0.00 0.00 66.02 66.60 1jof s SER 185 CO 0.00 -0.90 -0.01 -0.69 0.98 0.00 0.00 173.24 172.62 1jof s VAL 186 N -3.84 0.08 0.55 5.02 1.01 0.03 -4.96 120.40 118.29 1jof s VAL 186 Ca 0.06 -0.13 -0.17 0.00 0.00 0.00 0.00 61.98 61.74 1jof s VAL 186 Cb 0.01 -0.10 -0.06 0.00 0.00 0.00 0.00 36.38 36.24 1jof s VAL 186 CO -0.08 -0.03 1.04 -1.81 0.00 0.00 0.00 175.10 174.22 1jof s ASP 187 N -0.16 6.06 0.76 3.32 1.01 -1.26 -0.55 116.67 125.84 1jof s ASP 187 Ca -0.01 1.83 -0.13 0.00 0.71 0.00 0.00 52.55 54.95 1jof s ASP 187 Cb -0.01 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.43 1jof s ASP 187 CO -0.00 -0.98 1.15 0.00 0.21 0.00 0.00 175.17 175.56 1jof s ALA 188 N -2.31 2.09 0.29 5.23 0.00 -0.45 -4.81 121.76 121.80 1jof s ALA 188 Ca 0.64 0.65 0.03 0.00 0.00 0.00 0.00 51.96 53.28 1jof s ALA 188 Cb -0.15 -3.40 0.65 0.00 0.00 0.00 0.00 23.12 20.22 1jof s ALA 188 CO 0.31 -1.90 1.76 -1.35 0.00 0.00 0.00 175.76 174.57 1jof h PRO 189 N -0.67 0.65 -6.13 0.00 0.11 -1.94 -3.42 132.00 120.60 1jof h PRO 189 Ca -0.46 -0.04 -0.57 0.00 0.11 0.00 0.00 66.00 65.04 1jof h PRO 189 Cb 1.27 -0.15 -0.24 0.00 0.11 0.00 0.00 31.00 32.00 1jof h PRO 189 CO 0.49 0.43 -0.83 0.34 -0.21 0.00 0.00 178.00 178.22 1jof s ASP 190 N -5.40 2.51 0.55 -2.05 -1.08 -1.26 -5.02 116.67 104.92 1jof s ASP 190 Ca -0.12 -0.61 0.22 0.00 -0.52 0.00 0.00 52.55 51.53 1jof s ASP 190 Cb 0.24 -0.17 1.45 0.00 -1.46 0.00 0.00 42.92 42.97 1jof s ASP 190 CO 0.79 0.11 2.12 -0.65 0.52 0.00 0.00 175.17 178.05 1jof h PRO 191 N 4.44 0.00 -0.31 4.34 0.11 -1.97 -2.00 132.00 136.61 1jof h PRO 191 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 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 -1.51 0.73 0.19 -0.55 0.00 -1.26 -4.54 105.19 98.25 1jof n GLY 192 Ca 0.01 -0.46 -0.07 0.00 0.00 0.00 0.00 46.02 45.50 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 2.52 -0.39 -4.17 1.61 3.32 -1.70 -2.75 116.42 114.86 1jof h ASP 193 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1jof h ASP 193 Cb 0.56 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1jof h ASP 193 CO 0.00 -0.15 -0.38 1.41 -1.72 0.00 0.00 179.24 178.39 1jof n HIS 194 N -3.94 -1.98 -1.70 4.55 8.25 -1.26 -0.73 115.22 118.41 1jof n HIS 194 Ca -0.06 0.84 -0.44 0.00 -0.26 0.00 0.00 57.72 57.80 1jof n HIS 194 Cb 0.18 -2.86 -0.03 0.00 1.12 0.00 0.00 29.99 28.40 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 -0.05 2.47 0.00 -0.41 -0.02 -1.26 -0.51 135.00 135.22 1jof n PRO 195 Ca 0.03 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1jof n PRO 195 Cb 0.13 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 30.93 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 3.36 3.10 -3.82 -0.52 0.63 -0.20 -1.54 116.66 117.66 1jof n ARG 196 Ca 0.15 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.97 1jof n ARG 196 Cb 0.33 -0.96 -0.08 0.00 0.45 0.00 0.00 32.46 32.19 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 -1.91 0.01 -0.05 -0.14 -0.11 -1.17 -2.90 118.94 112.66 1jof s TRP 197 Ca 0.00 -0.21 -0.05 0.00 1.22 0.00 0.00 56.10 57.07 1jof s TRP 197 Cb 0.00 0.00 0.02 0.00 -1.50 0.00 0.00 33.47 31.99 1jof s TRP 197 CO 0.00 -0.44 0.14 0.14 -4.62 0.00 0.00 176.95 172.17 1jof s VAL 198 N -2.52 -0.01 0.00 5.86 -7.23 -1.26 -0.50 120.40 114.74 1jof s VAL 198 Ca -0.05 0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.14 1jof s VAL 198 Cb -0.01 -0.21 0.00 0.00 0.56 0.00 0.00 36.38 36.72 1jof s VAL 198 CO -0.04 0.01 0.00 0.00 -0.31 0.00 0.00 175.10 174.76 1jof n ALA 199 N 3.15 0.00 -2.61 1.32 0.00 -0.23 -4.53 120.51 117.60 1jof n ALA 199 Ca -0.14 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.09 1jof n ALA 199 Cb 0.58 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.88 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 0.65 1.08 0.58 0.00 2.46 -0.53 -0.80 115.29 118.71 1jof s HIS 201 Ca 0.00 -0.21 0.29 0.00 0.47 0.00 0.00 55.06 55.61 1jof s HIS 201 Cb 0.00 -0.69 1.45 0.00 -0.13 0.00 0.00 32.58 33.21 1jof s HIS 201 CO 0.00 -0.02 1.87 -1.35 -2.47 0.00 0.00 174.74 172.77 1jof h PRO 202 N 5.81 0.00 0.00 2.88 0.11 -1.92 0.53 132.00 139.41 1jof h PRO 202 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1jof h PRO 202 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1jof h PRO 202 CO 0.49 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 180.07 1jof h THR 203 N 0.00 0.00 0.00 -1.15 1.35 -1.93 -3.44 112.91 107.74 1jof h THR 203 Ca 0.28 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1jof h THR 203 Cb 1.39 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.65 1jof h THR 203 CO -0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1jof n GLY 204 N 0.92 0.79 0.07 5.82 0.00 0.18 -4.93 105.19 108.04 1jof n GLY 204 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 -4.40 1.61 2.35 -1.84 -3.43 115.58 109.87 1jof h ASN 205 Ca 0.00 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.42 1jof h ASN 205 Cb 0.00 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 38.19 1jof h ASN 205 CO 0.00 0.93 -0.74 -0.31 -1.65 0.00 0.00 177.43 175.66 1jof s TYR 206 N -2.75 1.07 0.01 1.19 1.51 -1.26 -0.98 117.35 116.14 1jof s TYR 206 Ca 0.01 -0.62 0.02 0.00 -1.01 0.00 0.00 57.07 55.48 1jof s TYR 206 Cb 0.10 -0.59 -0.01 0.00 -0.11 0.00 0.00 41.96 41.35 1jof s TYR 206 CO 0.81 0.01 -0.06 -1.17 -1.11 0.00 0.00 175.55 174.03 1jof s LEU 207 N -2.31 2.08 -0.12 -1.29 0.20 -0.45 -1.46 118.68 115.33 1jof s LEU 207 Ca 0.04 -0.22 0.02 0.00 0.69 0.00 0.00 54.13 54.66 1jof s LEU 207 Cb -0.04 -0.23 -0.00 0.00 -0.43 0.00 0.00 46.19 45.48 1jof s LEU 207 CO 0.00 -0.01 -0.20 -0.31 -0.29 0.00 0.00 176.35 175.54 1jof s TYR 208 N -0.46 2.66 -0.21 5.38 1.51 0.02 -1.09 117.35 125.15 1jof s TYR 208 Ca -0.01 -1.00 -0.03 0.00 -1.01 0.00 0.00 57.07 55.02 1jof s TYR 208 Cb -0.04 -1.78 -0.00 0.00 -0.11 0.00 0.00 41.96 40.03 1jof s TYR 208 CO -0.00 -0.41 -0.08 0.00 -1.11 0.00 0.00 175.55 173.95 1jof s ALA 209 N 0.47 2.71 0.65 3.71 0.00 -0.50 -1.07 121.76 127.73 1jof s ALA 209 Ca -0.14 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.66 1jof s ALA 209 Cb -0.17 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.38 1jof s ALA 209 CO 0.06 -0.38 0.00 -0.11 0.00 0.00 0.00 175.76 175.33 1jof n LEU 210 N 4.69 0.00 0.06 0.00 0.00 0.34 -0.83 117.00 121.27 1jof n LEU 210 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.82 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 0.28 -0.18 -0.09 1.21 0.00 0.00 0.00 177.39 178.61 1jof n GLU 212 N -0.35 0.00 0.14 1.96 2.13 0.33 -1.04 120.64 123.81 1jof n GLU 212 Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 1jof n GLU 212 Cb 0.00 -0.23 0.10 0.00 0.27 0.00 0.00 31.44 31.57 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 0.72 0.00 4.31 0.00 -1.10 -1.46 119.26 121.73 1jof h ALA 213 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1jof h ALA 213 Cb 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1jof h ALA 213 CO 0.00 0.69 0.00 0.78 0.00 0.00 0.00 179.25 180.72 1jof h GLY 214 N 2.96 0.00 -6.36 0.00 0.00 -0.84 -3.47 103.07 95.36 1jof h GLY 214 Ca -0.01 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 1jof h GLY 214 CO 0.07 0.00 -0.93 0.70 0.00 0.00 0.00 176.54 176.38 1jof n ASN 215 N -2.42 -3.89 -3.54 0.19 3.02 -1.15 -4.91 115.26 102.56 1jof n ASN 215 Ca 0.04 -1.04 -0.10 0.00 -0.03 0.00 0.00 54.58 53.45 1jof n ASN 215 Cb 0.40 -3.13 -0.02 0.00 -0.61 0.00 0.00 39.78 36.42 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 -6.27 1.25 -0.18 3.52 1.70 -1.26 -1.58 118.95 116.12 1jof s ARG 216 Ca 0.35 -0.53 -0.05 0.00 -0.47 0.00 0.00 55.73 55.03 1jof s ARG 216 Cb -0.14 0.53 -0.03 0.00 -0.57 0.00 0.00 34.95 34.74 1jof s ARG 216 CO 0.88 -0.55 0.01 0.42 -1.08 0.00 0.00 175.30 174.97 1jof s ILE 217 N -3.59 4.22 -0.12 4.99 -1.09 -0.08 -4.45 121.20 121.08 1jof s ILE 217 Ca 0.04 -0.23 -0.02 0.00 -2.23 0.00 0.00 60.65 58.21 1jof s ILE 217 Cb -0.02 -2.88 -0.03 0.00 -1.58 0.00 0.00 42.46 37.95 1jof s ILE 217 CO -0.08 0.46 -0.05 0.00 -1.23 0.00 0.00 174.94 174.04 1jof s GLU 219 N -0.14 4.40 -0.04 0.00 2.12 -0.41 -1.41 118.70 123.21 1jof s GLU 219 Ca 0.02 0.87 0.03 0.00 0.36 0.00 0.00 54.97 56.25 1jof s GLU 219 Cb -0.13 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 30.90 1jof s GLU 219 CO 0.03 0.30 -0.13 0.71 -0.54 0.00 0.00 175.26 175.62 1jof s TYR 220 N -0.01 1.39 -0.11 5.30 1.51 -0.25 -2.08 117.35 123.10 1jof s TYR 220 Ca 0.34 -0.40 -0.09 0.00 -1.01 0.00 0.00 57.07 55.91 1jof s TYR 220 Cb -0.19 -0.96 -0.04 0.00 -0.11 0.00 0.00 41.96 40.65 1jof s TYR 220 CO 0.19 -0.16 0.21 0.54 -1.11 0.00 0.00 175.55 175.22 1jof s VAL 221 N 0.19 5.38 -0.27 0.71 0.11 0.22 -1.35 120.40 125.40 1jof s VAL 221 Ca -0.05 0.36 -0.23 0.00 -2.93 0.00 0.00 61.98 59.13 1jof s VAL 221 Cb -0.11 -3.49 -0.01 0.00 -1.53 0.00 0.00 36.38 31.24 1jof s VAL 221 CO 0.02 0.57 0.77 -0.63 -3.33 0.00 0.00 175.10 172.50 1jof s ILE 222 N -0.76 4.85 -0.26 7.04 1.01 -0.16 -0.62 121.20 132.30 1jof s ILE 222 Ca 0.16 1.33 -0.29 0.00 0.00 0.00 0.00 60.65 61.85 1jof s ILE 222 Cb -0.13 -4.09 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 1jof s ILE 222 CO 0.05 -0.13 1.62 -0.62 0.00 0.00 0.00 174.94 175.87 1jof s ASP 223 N 1.48 6.29 0.60 3.58 -1.08 -1.26 -4.88 116.67 121.41 1jof s ASP 223 Ca 0.32 1.48 0.37 0.00 -0.52 0.00 0.00 52.55 54.19 1jof s ASP 223 Cb -0.15 -2.53 1.95 0.00 -1.46 0.00 0.00 42.92 40.73 1jof s ASP 223 CO 0.10 -1.35 2.23 1.55 0.52 0.00 0.00 175.17 178.22 1jof h PRO 224 N 11.07 0.00 -0.24 4.34 0.13 -1.95 1.00 132.00 146.35 1jof h PRO 224 Ca -0.33 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.73 1jof h PRO 224 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1jof h PRO 224 CO 1.02 0.03 -0.11 0.00 -0.23 0.00 0.00 178.00 178.70 1jof h ALA 225 N 1.97 0.34 0.00 -0.56 0.00 -2.04 -3.35 119.26 115.62 1jof h ALA 225 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1jof h ALA 225 Cb 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1jof h ALA 225 CO 0.00 0.19 -0.88 0.25 0.00 0.00 0.00 179.25 178.82 1jof n THR 226 N -4.50 0.00 -1.91 0.00 -2.24 -0.95 -5.27 114.28 99.41 1jof n THR 226 Ca -0.04 -0.25 -0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1jof n THR 226 Cb 0.34 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 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 -1.49 -0.81 -5.06 4.78 -0.00 0.34 -5.02 115.22 107.96 1jof n HIS 227 Ca 0.00 0.31 -0.28 0.00 -0.00 0.00 0.00 57.72 57.75 1jof n HIS 227 Cb 0.18 -2.20 -0.16 0.00 -0.00 0.00 0.00 29.99 27.81 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 -2.79 1.98 -0.11 -0.41 0.04 -1.26 -4.77 135.00 127.67 1jof s PRO 229 Ca 0.01 -0.77 0.02 0.00 0.04 0.00 0.00 61.00 60.30 1jof s PRO 229 Cb -0.00 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.76 1jof s PRO 229 CO 0.20 0.39 -0.17 0.08 0.04 0.00 0.00 177.00 177.54 1jof s VAL 230 N -0.27 1.61 0.22 -0.36 1.01 0.21 -4.93 120.40 117.89 1jof s VAL 230 Ca 0.02 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 1jof s VAL 230 Cb -0.11 -1.45 -0.10 0.00 0.00 0.00 0.00 36.38 34.72 1jof s VAL 230 CO 0.01 0.46 1.46 -0.47 0.00 0.00 0.00 175.10 176.57 1jof s TYR 231 N 0.88 3.05 -1.47 5.22 5.04 -1.26 -0.61 117.35 128.19 1jof s TYR 231 Ca -0.08 0.94 0.25 0.00 -2.44 0.00 0.00 57.07 55.73 1jof s TYR 231 Cb -0.15 -3.83 0.42 0.00 0.35 0.00 0.00 41.96 38.75 1jof s TYR 231 CO -0.00 -2.80 1.35 0.25 -1.34 0.00 0.00 175.55 173.01 1jof n THR 232 N 2.81 0.00 -0.85 4.34 -2.24 -0.88 -4.90 114.28 112.56 1jof n THR 232 Ca 0.09 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1jof n THR 232 Cb 0.40 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 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 -0.91 0.00 -3.97 4.78 8.25 -1.26 -5.04 115.22 117.06 1jof n HIS 233 Ca 0.09 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.20 1jof n HIS 233 Cb 0.36 -0.05 -0.10 0.00 1.12 0.00 0.00 29.99 31.32 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 -2.00 3.26 0.05 4.41 3.76 -1.26 -5.05 115.29 118.45 1jof s HIS 234 Ca 0.00 0.08 -0.02 0.00 -0.15 0.00 0.00 55.06 54.96 1jof s HIS 234 Cb 0.00 -2.09 -0.03 0.00 1.11 0.00 0.00 32.58 31.57 1jof s HIS 234 CO 0.00 0.14 0.01 -1.54 -0.85 0.00 0.00 174.74 172.50 1jof s SER 235 N 0.43 0.37 0.00 1.40 1.04 -1.26 -1.29 113.70 114.39 1jof s SER 235 Ca 0.03 -0.82 0.03 0.00 0.48 0.00 0.00 55.95 55.67 1jof s SER 235 Cb -0.12 0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.19 1jof s SER 235 CO 0.00 -0.55 -0.09 -0.36 0.98 0.00 0.00 173.24 173.22 1jof s PHE 236 N -3.33 0.81 0.39 5.02 0.40 -0.25 -4.94 117.98 116.08 1jof s PHE 236 Ca 0.01 -0.21 -0.25 0.00 -0.60 0.00 0.00 56.93 55.89 1jof s PHE 236 Cb 0.04 -0.51 -0.09 0.00 0.51 0.00 0.00 43.02 42.97 1jof s PHE 236 CO -0.08 -0.01 1.11 -1.25 0.70 0.00 0.00 175.22 175.68 1jof s PRO 237 N -0.46 4.14 0.00 0.24 0.04 -1.26 -0.91 135.00 136.79 1jof s PRO 237 Ca 0.02 1.68 0.08 0.00 0.04 0.00 0.00 61.00 62.82 1jof s PRO 237 Cb -0.05 -2.65 0.04 0.00 0.04 0.00 0.00 34.50 31.89 1jof s PRO 237 CO -0.00 -0.20 0.67 1.28 0.04 0.00 0.00 177.00 178.79 1jof n LEU 238 N 0.08 1.43 -4.04 -3.56 4.32 -0.62 -4.85 117.00 109.77 1jof n LEU 238 Ca 0.04 -0.91 -0.09 0.00 -0.02 0.00 0.00 56.01 55.03 1jof n LEU 238 Cb 0.48 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.17 1jof n LEU 238 CO 0.48 0.29 -0.37 0.27 -1.22 0.00 0.00 177.39 176.84 1jof s ILE 239 N -0.85 0.25 0.19 -0.08 -4.36 -1.26 -4.59 121.20 110.51 1jof s ILE 239 Ca 0.08 -1.29 -0.33 0.00 -0.26 0.00 0.00 60.65 58.85 1jof s ILE 239 Cb 0.06 -0.81 -0.14 0.00 1.25 0.00 0.00 42.46 42.83 1jof s ILE 239 CO 0.13 -0.67 1.52 -2.65 0.24 0.00 0.00 174.94 173.52 1jof n PRO 240 N 0.99 2.14 -1.69 0.37 -0.02 -1.26 -4.88 135.00 130.65 1jof n PRO 240 Ca -0.20 0.77 -0.45 0.00 -2.02 0.00 0.00 63.50 61.61 1jof n PRO 240 Cb 0.57 -2.50 -0.04 0.00 -0.02 0.00 0.00 33.50 31.51 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 2.91 2.41 -0.19 0.52 -0.02 -1.26 -1.95 135.00 137.41 1jof n PRO 241 Ca 0.15 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 1jof n PRO 241 Cb 0.30 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 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 3.71 1.91 3.76 -1.23 0.00 -1.26 -5.03 105.19 107.05 1jof n GLY 242 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 1.41 -1.68 -0.61 3.06 -0.82 -4.84 119.36 113.88 1jof n ILE 243 Ca 0.00 -0.35 -0.46 0.00 -2.50 0.00 0.00 62.75 59.44 1jof n ILE 243 Cb 0.00 -1.97 -0.04 0.00 0.54 0.00 0.00 39.64 38.17 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 1.47 2.43 -1.09 9.51 -0.02 -1.26 -4.87 135.00 141.17 1jof n PRO 244 Ca 0.06 0.89 0.04 0.00 -2.02 0.00 0.00 63.50 62.47 1jof n PRO 244 Cb 0.38 -2.75 0.07 0.00 -0.02 0.00 0.00 33.50 31.17 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 6.21 1.14 -3.95 2.55 5.75 -1.26 -4.92 116.55 122.06 1jof n ASP 245 Ca 0.20 -2.54 -0.31 0.00 -0.01 0.00 0.00 54.79 52.14 1jof n ASP 245 Cb 0.33 -0.35 -0.15 0.00 -1.03 0.00 0.00 41.12 39.92 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 -0.97 1.46 -0.32 0.11 0.52 -1.26 -1.32 118.95 117.17 1jof s ARG 246 Ca 0.31 -1.42 -0.36 0.00 -0.52 0.00 0.00 55.73 53.74 1jof s ARG 246 Cb 0.34 -2.76 -0.13 0.00 0.52 0.00 0.00 34.95 32.92 1jof s ARG 246 CO -0.12 -0.81 2.07 -3.47 0.02 0.00 0.00 175.30 172.99 1jof n ASP 247 N 4.50 2.26 0.00 0.23 -0.08 -0.20 -4.81 116.55 118.45 1jof n ASP 247 Ca -0.04 0.61 0.09 0.00 -1.51 0.00 0.00 54.79 53.94 1jof n ASP 247 Cb 0.43 -1.23 0.53 0.00 2.34 0.00 0.00 41.12 43.18 1jof n ASP 247 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1jof n PRO 248 N 7.48 0.50 -0.41 -0.67 -0.05 -1.26 0.78 135.00 141.37 1jof n PRO 248 Ca 0.37 0.03 0.07 0.00 -0.05 0.00 0.00 63.50 63.92 1jof n PRO 248 Cb 0.20 -1.50 0.23 0.00 -0.05 0.00 0.00 33.50 32.38 1jof n PRO 248 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 1jof n GLU 249 N -1.07 2.42 0.00 0.54 4.71 -1.26 -4.62 120.64 121.37 1jof n GLU 249 Ca 0.13 -2.84 0.00 0.00 -0.01 0.00 0.00 57.16 54.44 1jof n GLU 249 Cb 0.08 -1.77 0.00 0.00 -1.01 0.00 0.00 31.44 28.74 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 -0.79 0.00 0.00 2.62 -1.04 -0.78 -4.97 114.28 109.32 1jof n THR 250 Ca 0.22 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 1jof n THR 250 Cb 0.86 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.37 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 -0.71 2.32 3.87 3.41 0.00 0.23 -4.98 105.19 109.33 1jof n GLY 251 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 2.78 0.80 1.61 0.00 -1.26 -4.73 119.74 118.94 1jof s LYS 252 Ca 0.00 0.52 -0.11 0.00 0.00 0.00 0.00 55.97 56.38 1jof s LYS 252 Cb 0.00 -2.01 0.07 0.00 0.00 0.00 0.00 37.83 35.89 1jof s LYS 252 CO 0.00 -1.10 1.09 0.20 0.00 0.00 0.00 175.35 175.53 1jof s GLY 253 N -4.27 1.65 0.00 0.59 0.00 -1.26 -1.03 107.32 103.00 1jof s GLY 253 Ca 0.58 0.08 0.22 0.00 0.00 0.00 0.00 44.72 45.60 1jof s GLY 253 CO 0.52 0.47 0.86 1.04 0.00 0.00 0.00 173.10 176.00 1jof n LEU 254 N -3.55 0.66 -4.22 0.66 4.77 -0.44 -4.58 117.00 110.31 1jof n LEU 254 Ca 0.08 -0.25 -0.23 0.00 -0.03 0.00 0.00 56.01 55.57 1jof n LEU 254 Cb 0.54 -0.04 -0.13 0.00 -2.33 0.00 0.00 43.42 41.46 1jof n LEU 254 CO 0.55 0.14 -0.50 -0.31 -1.33 0.00 0.00 177.39 175.94 1jof s TYR 255 N -3.16 1.62 -0.17 -1.77 1.51 -1.26 -0.30 117.35 113.81 1jof s TYR 255 Ca 0.04 -0.38 -0.04 0.00 -1.01 0.00 0.00 57.07 55.68 1jof s TYR 255 Cb 0.15 -0.94 0.06 0.00 -0.11 0.00 0.00 41.96 41.12 1jof s TYR 255 CO 0.85 0.10 0.06 1.03 -1.11 0.00 0.00 175.55 176.48 1jof s ARG 256 N -1.32 0.38 0.58 -0.62 0.52 -0.30 -4.78 118.95 113.41 1jof s ARG 256 Ca 0.05 -0.22 -0.20 0.00 -0.52 0.00 0.00 55.73 54.84 1jof s ARG 256 Cb -0.09 -1.87 -0.03 0.00 0.52 0.00 0.00 34.95 33.47 1jof s ARG 256 CO 0.02 -0.62 1.35 0.00 0.02 0.00 0.00 175.30 176.07 1jof s ALA 257 N 1.99 2.67 0.00 2.13 0.00 -0.56 -1.22 121.76 126.77 1jof s ALA 257 Ca 0.01 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.29 1jof s ALA 257 Cb -0.16 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1jof s ALA 257 CO -0.08 -1.48 0.00 -3.47 0.00 0.00 0.00 175.76 170.73 1jof n ASP 258 N -1.34 0.00 -4.11 0.00 2.03 0.11 -4.55 116.55 108.69 1jof n ASP 258 Ca 0.12 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.32 1jof n ASP 258 Cb 0.46 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.75 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 0.00 0.59 0.00 5.18 1.01 -1.23 -4.64 120.40 121.32 1jof s VAL 259 Ca 0.00 -1.46 0.03 0.00 0.00 0.00 0.00 61.98 60.55 1jof s VAL 259 Cb 0.00 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 1jof s VAL 259 CO 0.00 -0.61 -0.08 0.00 0.00 0.00 0.00 175.10 174.41 1jof s ALA 261 N -0.38 -1.30 0.39 0.00 0.00 -0.05 -4.71 121.76 115.70 1jof s ALA 261 Ca 0.01 1.50 -0.16 0.00 0.00 0.00 0.00 51.96 53.31 1jof s ALA 261 Cb -0.04 -0.88 -0.09 0.00 0.00 0.00 0.00 23.12 22.11 1jof s ALA 261 CO -0.00 -0.25 0.83 -0.51 0.00 0.00 0.00 175.76 175.83 1jof s LEU 262 N 0.34 3.94 0.80 0.00 1.02 -1.26 -1.31 118.68 122.21 1jof s LEU 262 Ca -0.00 1.42 -0.10 0.00 0.02 0.00 0.00 54.13 55.46 1jof s LEU 262 Cb -0.04 -4.26 0.10 0.00 0.02 0.00 0.00 46.19 42.01 1jof s LEU 262 CO -0.00 -0.33 1.14 0.42 0.02 0.00 0.00 176.35 177.61 1jof s THR 263 N -2.18 2.09 0.23 5.49 -4.23 -0.38 -4.82 115.64 111.85 1jof s THR 263 Ca 0.57 -0.11 -0.11 0.00 -1.18 0.00 0.00 61.69 60.85 1jof s THR 263 Cb -0.10 -2.98 0.26 0.00 1.34 0.00 0.00 72.50 71.03 1jof s THR 263 CO 0.20 0.00 1.63 0.15 -0.54 0.00 0.00 174.62 176.05 1jof h PHE 264 N -1.00 -0.24 0.00 3.99 3.57 -1.80 -1.70 116.94 119.76 1jof h PHE 264 Ca -0.45 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.09 1jof h PHE 264 Cb 1.30 0.22 -0.00 0.00 2.79 0.00 0.00 35.95 40.26 1jof h PHE 264 CO 0.02 -0.27 -0.12 0.66 -2.23 0.00 0.00 178.31 176.38 1jof h SER 265 N 0.04 0.00 0.00 0.41 4.64 -1.93 -3.46 113.55 113.25 1jof h SER 265 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1jof h SER 265 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1jof h SER 265 CO -0.68 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 176.01 1jof n GLY 266 N 0.11 0.85 0.17 -0.77 0.00 -0.64 -4.89 105.19 100.03 1jof n GLY 266 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 3.42 0.00 0.00 1.61 1.57 -1.86 -3.44 116.57 117.87 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 0.19 0.00 0.66 -0.57 0.00 0.00 179.45 179.73 1jof n TYR 268 N -3.07 0.00 -3.64 -1.35 4.02 -1.26 0.26 117.16 112.11 1jof n TYR 268 Ca 0.02 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.75 1jof n TYR 268 Cb 0.62 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.87 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 -0.12 -0.40 0.08 -0.72 2.99 -0.42 -1.25 117.98 118.13 1jof s PHE 270 Ca 0.00 0.64 -0.08 0.00 0.00 0.00 0.00 56.93 57.50 1jof s PHE 270 Cb 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 43.02 43.26 1jof s PHE 270 CO 0.00 -0.51 0.16 0.00 -0.00 0.00 0.00 175.22 174.87 1jof s ALA 271 N -1.39 -0.13 0.19 5.36 0.00 0.68 -0.87 121.76 125.60 1jof s ALA 271 Ca -0.12 -0.68 -0.07 0.00 0.00 0.00 0.00 51.96 51.10 1jof s ALA 271 Cb -0.03 0.44 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 1jof s ALA 271 CO 0.06 -0.48 0.26 -1.54 0.00 0.00 0.00 175.76 174.06 1jof s SER 272 N -2.82 0.07 0.06 0.00 1.04 -0.39 0.31 113.70 111.97 1jof s SER 272 Ca 0.05 -1.09 -0.12 0.00 0.48 0.00 0.00 55.95 55.27 1jof s SER 272 Cb 0.05 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.62 1jof s SER 272 CO -0.10 -0.92 0.26 -0.94 0.98 0.00 0.00 173.24 172.51 1jof s SER 273 N -3.05 -0.05 0.28 7.02 1.04 -0.30 0.05 113.70 118.70 1jof s SER 273 Ca 0.26 -0.33 0.12 0.00 0.48 0.00 0.00 55.95 56.47 1jof s SER 273 Cb 0.04 0.35 -0.05 0.00 0.10 0.00 0.00 66.02 66.45 1jof s SER 273 CO 0.06 -0.64 -0.19 0.00 0.98 0.00 0.00 173.24 173.45 1jof s ARG 274 N -2.90 1.67 0.09 4.02 1.70 -0.36 -1.39 118.95 121.78 1jof s ARG 274 Ca -0.02 -1.77 -0.01 0.00 -0.47 0.00 0.00 55.73 53.45 1jof s ARG 274 Cb 0.00 -1.73 -0.04 0.00 -0.57 0.00 0.00 34.95 32.61 1jof s ARG 274 CO -0.06 0.31 0.27 0.00 -1.08 0.00 0.00 175.30 174.75 1jof s ALA 275 N -2.54 3.93 -2.39 7.88 0.00 -0.50 -1.15 121.76 127.00 1jof s ALA 275 Ca 0.30 -0.76 0.28 0.00 0.00 0.00 0.00 51.96 51.78 1jof s ALA 275 Cb -0.04 -1.93 1.17 0.00 0.00 0.00 0.00 23.12 22.32 1jof s ALA 275 CO 0.15 0.76 1.81 0.09 0.00 0.00 0.00 175.76 178.57 1jof n ASN 276 N 0.17 1.24 -4.09 0.00 3.02 0.58 -4.50 115.26 111.68 1jof n ASN 276 Ca -0.04 -1.43 -0.24 0.00 -0.03 0.00 0.00 54.58 52.84 1jof n ASN 276 Cb 0.51 -0.01 -0.16 0.00 -0.61 0.00 0.00 39.78 39.52 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 -1.98 1.39 0.57 3.52 1.02 -1.26 -5.04 119.74 117.96 1jof s LYS 277 Ca 0.39 -0.50 0.26 0.00 0.02 0.00 0.00 55.97 56.14 1jof s LYS 277 Cb 0.21 -1.26 1.63 0.00 -0.52 0.00 0.00 37.83 37.88 1jof s LYS 277 CO 0.33 0.23 2.19 0.74 -0.92 0.00 0.00 175.35 177.92 1jof h PHE 278 N 6.16 0.00 -0.00 3.18 -1.00 -1.98 -1.61 116.94 121.69 1jof h PHE 278 Ca -0.33 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.45 1jof h PHE 278 Cb 1.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.73 1jof h PHE 278 CO 0.43 0.00 -0.03 -0.85 -1.61 0.00 0.00 178.31 176.25 1jof n GLU 279 N -4.05 0.63 -3.95 1.51 0.00 -1.26 -4.51 120.64 109.01 1jof n GLU 279 Ca -0.02 -0.08 -0.29 0.00 0.00 0.00 0.00 57.16 56.77 1jof n GLU 279 Cb 0.16 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.06 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 -2.43 4.25 0.19 -1.84 1.43 -0.61 -5.06 118.68 114.62 1jof s LEU 280 Ca 0.32 0.19 -0.17 0.00 -1.03 0.00 0.00 54.13 53.45 1jof s LEU 280 Cb 0.21 -2.86 -0.08 0.00 0.03 0.00 0.00 46.19 43.49 1jof s LEU 280 CO 0.45 0.14 0.64 -1.10 0.23 0.00 0.00 176.35 176.70 1jof s GLN 281 N -2.70 4.10 0.37 1.70 -0.21 -1.26 -3.18 119.66 118.47 1jof s GLN 281 Ca 0.34 0.67 -0.02 0.00 0.02 0.00 0.00 55.36 56.37 1jof s GLN 281 Cb -0.12 -2.87 0.08 0.00 1.00 0.00 0.00 33.01 31.09 1jof s GLN 281 CO 0.27 0.42 0.51 0.41 -2.12 0.00 0.00 175.29 174.78 1jof n GLY 282 N 0.68 0.35 3.07 3.09 0.00 -0.47 -4.48 105.19 107.44 1jof n GLY 282 Ca -0.03 -1.94 -0.07 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.55 0.46 -0.02 1.61 1.51 -0.49 -1.14 117.35 117.73 1jof s TYR 283 Ca 0.33 -0.96 0.02 0.00 -1.01 0.00 0.00 57.07 55.45 1jof s TYR 283 Cb -0.02 -0.34 0.00 0.00 -0.11 0.00 0.00 41.96 41.49 1jof s TYR 283 CO 0.22 -0.35 -0.07 -1.50 -1.11 0.00 0.00 175.55 172.74 1jof s ILE 284 N -3.46 0.63 0.11 2.71 2.07 -0.20 -1.15 121.20 121.91 1jof s ILE 284 Ca 0.03 -0.28 0.05 0.00 -1.41 0.00 0.00 60.65 59.04 1jof s ILE 284 Cb 0.05 -0.57 -0.04 0.00 0.13 0.00 0.00 42.46 42.03 1jof s ILE 284 CO -0.08 0.21 -0.12 0.00 -1.91 0.00 0.00 174.94 173.03 1jof s ALA 285 N 0.24 1.31 0.02 1.50 0.00 0.15 -1.49 121.76 123.48 1jof s ALA 285 Ca -0.03 -1.26 0.03 0.00 0.00 0.00 0.00 51.96 50.70 1jof s ALA 285 Cb -0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 1jof s ALA 285 CO 0.00 0.02 -0.09 0.20 0.00 0.00 0.00 175.76 175.89 1jof s GLY 286 N -2.51 0.51 0.07 0.00 0.00 -0.98 -0.23 107.32 104.17 1jof s GLY 286 Ca 0.08 -0.55 0.03 0.00 0.00 0.00 0.00 44.72 44.28 1jof s GLY 286 CO 0.01 -0.53 -0.10 -1.36 0.00 0.00 0.00 173.10 171.12 1jof s PHE 287 N -0.62 0.96 -0.12 1.90 0.40 -1.26 -0.34 117.98 118.90 1jof s PHE 287 Ca -0.00 -0.56 -0.03 0.00 -0.60 0.00 0.00 56.93 55.74 1jof s PHE 287 Cb -0.06 -0.54 -0.03 0.00 0.51 0.00 0.00 43.02 42.90 1jof s PHE 287 CO 0.00 -0.02 -0.02 0.21 0.70 0.00 0.00 175.22 176.09 1jof s LYS 288 N -2.14 3.35 -0.14 0.44 2.20 -0.71 -4.28 119.74 118.47 1jof s LYS 288 Ca -0.02 -0.47 -0.03 0.00 -0.36 0.00 0.00 55.97 55.10 1jof s LYS 288 Cb -0.07 -2.86 -0.03 0.00 -1.51 0.00 0.00 37.83 33.36 1jof s LYS 288 CO 0.01 0.46 -0.05 -0.51 -0.36 0.00 0.00 175.35 174.89 1jof s LEU 289 N -0.21 3.20 0.79 5.43 1.43 0.14 -0.00 118.68 129.46 1jof s LEU 289 Ca 0.05 -0.13 -0.10 0.00 -1.03 0.00 0.00 54.13 52.92 1jof s LEU 289 Cb -0.13 -1.76 0.07 0.00 0.03 0.00 0.00 46.19 44.41 1jof s LEU 289 CO 0.02 0.20 1.10 -0.13 0.23 0.00 0.00 176.35 177.77 1jof s ARG 290 N 0.17 2.08 0.50 1.70 0.52 0.07 -4.77 118.95 119.22 1jof s ARG 290 Ca -0.02 1.23 0.14 0.00 -0.52 0.00 0.00 55.73 56.56 1jof s ARG 290 Cb -0.14 -1.87 1.19 0.00 0.52 0.00 0.00 34.95 34.65 1jof s ARG 290 CO 0.03 -1.79 2.13 -0.44 0.02 0.00 0.00 175.30 175.25 1jof h ASP 291 N -1.22 0.09 0.88 0.23 3.32 -1.95 -0.67 116.42 117.10 1jof h ASP 291 Ca -0.43 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1jof h ASP 291 Cb 1.24 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1jof h ASP 291 CO 0.50 0.07 0.00 0.00 -1.72 0.00 0.00 179.24 178.09 1jof n GLY 293 N 1.01 2.21 3.75 0.00 0.00 -0.26 -4.64 105.19 107.27 1jof n GLY 293 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.28 4.41 -0.29 1.61 1.04 -1.26 -4.69 113.70 113.24 1jof s SER 294 Ca 0.00 1.95 -0.25 0.00 0.48 0.00 0.00 55.95 58.13 1jof s SER 294 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1jof s SER 294 CO 0.00 -2.10 0.85 -0.63 0.98 0.00 0.00 173.24 172.34 1jof s ILE 295 N -2.67 4.76 -0.03 -1.02 1.01 -1.26 -0.75 121.20 121.24 1jof s ILE 295 Ca 0.64 1.41 -0.25 0.00 0.00 0.00 0.00 60.65 62.45 1jof s ILE 295 Cb -0.19 -4.18 -0.19 0.00 0.01 0.00 0.00 42.46 37.90 1jof s ILE 295 CO 0.52 -0.22 1.17 -0.08 0.00 0.00 0.00 174.94 176.33 1jof h GLU 296 N 7.95 -0.08 -2.54 2.79 4.81 -0.75 -3.46 114.58 123.29 1jof h GLU 296 Ca -0.23 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.11 1jof h GLU 296 Cb 1.09 0.02 -0.11 0.00 0.63 0.00 0.00 28.75 30.38 1jof h GLU 296 CO 0.90 0.39 0.40 -1.59 -0.73 0.00 0.00 179.01 178.39 1jof s LYS 297 N -4.06 1.18 -0.22 1.92 -2.85 -1.19 -5.01 119.74 109.50 1jof s LYS 297 Ca -0.15 -0.56 -0.17 0.00 -1.00 0.00 0.00 55.97 54.09 1jof s LYS 297 Cb 0.01 0.46 -0.03 0.00 -2.06 0.00 0.00 37.83 36.21 1jof s LYS 297 CO 0.62 -0.53 0.47 -1.14 0.10 0.00 0.00 175.35 174.87 1jof s GLN 298 N -3.41 4.14 0.04 1.78 0.74 -1.26 -1.74 119.66 119.95 1jof s GLN 298 Ca 0.08 0.29 0.06 0.00 0.05 0.00 0.00 55.36 55.84 1jof s GLN 298 Cb -0.02 -3.59 -0.23 0.00 1.10 0.00 0.00 33.01 30.27 1jof s GLN 298 CO -0.04 -0.18 0.99 -0.07 -0.55 0.00 0.00 175.29 175.44 1jof h LEU 299 N 8.12 0.10 -7.00 3.68 3.38 -1.03 -3.49 115.31 119.08 1jof h LEU 299 Ca -0.33 -0.14 0.07 0.00 0.09 0.00 0.00 57.88 57.57 1jof h LEU 299 Cb 1.15 -0.03 -0.15 0.00 0.09 0.00 0.00 40.66 41.72 1jof h LEU 299 CO 0.72 1.12 0.42 0.72 0.09 0.00 0.00 178.44 181.50 1jof s PHE 300 N -2.65 -0.40 -0.24 1.13 -0.12 -1.16 -4.96 117.98 109.58 1jof s PHE 300 Ca -0.03 0.26 -0.02 0.00 -0.05 0.00 0.00 56.93 57.08 1jof s PHE 300 Cb 0.09 0.54 0.12 0.00 -0.63 0.00 0.00 43.02 43.14 1jof s PHE 300 CO 0.83 -0.62 0.30 -1.17 -0.05 0.00 0.00 175.22 174.50 1jof s LEU 301 N -2.52 -0.33 0.08 -1.99 2.96 -1.26 -2.32 118.68 113.31 1jof s LEU 301 Ca 0.04 -0.25 0.05 0.00 -0.22 0.00 0.00 54.13 53.75 1jof s LEU 301 Cb -0.01 0.66 -0.03 0.00 0.50 0.00 0.00 46.19 47.31 1jof s LEU 301 CO -0.10 -0.34 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.02 1jof s SER 302 N 2.41 1.71 0.43 3.68 0.01 -0.55 -4.98 113.70 116.40 1jof s SER 302 Ca 0.09 -0.66 -0.24 0.00 1.31 0.00 0.00 55.95 56.45 1jof s SER 302 Cb -0.15 -0.05 -0.08 0.00 0.21 0.00 0.00 66.02 65.95 1jof s SER 302 CO -0.20 -0.10 1.20 -2.84 0.41 0.00 0.00 173.24 171.72 1jof s PRO 303 N -1.95 3.90 0.36 12.44 0.02 -1.26 -1.03 135.00 147.47 1jof s PRO 303 Ca 0.00 1.90 0.03 0.00 0.02 0.00 0.00 61.00 62.96 1jof s PRO 303 Cb -0.09 -2.59 -0.01 0.00 0.02 0.00 0.00 34.50 31.83 1jof s PRO 303 CO 0.02 -0.47 0.53 0.95 -0.33 0.00 0.00 177.00 177.70 1jof s THR 304 N -1.42 4.41 0.37 0.99 -4.23 -0.29 -4.81 115.64 110.66 1jof s THR 304 Ca 0.60 -0.74 0.05 0.00 -1.18 0.00 0.00 61.69 60.42 1jof s THR 304 Cb -0.32 -3.58 0.28 0.00 1.34 0.00 0.00 72.50 70.22 1jof s THR 304 CO 0.40 -0.31 1.99 -0.65 -0.54 0.00 0.00 174.62 175.51 1jof h PRO 305 N 0.75 0.72 0.00 3.99 0.11 -1.96 -3.39 132.00 132.22 1jof h PRO 305 Ca -0.48 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.46 1jof h PRO 305 Cb 1.24 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1jof h PRO 305 CO 0.57 0.48 -0.10 0.25 -0.21 0.00 0.00 178.00 178.99 1jof n THR 306 N -4.47 0.00 0.84 -1.15 -2.24 -1.26 -4.95 114.28 101.06 1jof n THR 306 Ca 0.08 -0.49 0.13 0.00 -2.27 0.00 0.00 64.05 61.51 1jof n THR 306 Cb 0.16 0.12 0.53 0.00 -2.10 0.00 0.00 70.33 69.04 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 -1.31 0.25 0.00 3.42 3.41 -1.19 -1.37 113.62 116.84 1jof n SER 307 Ca -0.03 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 1jof n SER 307 Cb 0.13 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 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 1.30 2.96 7.00 5.00 0.00 -1.26 -1.41 105.19 118.78 1jof n GLY 308 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 3.29 0.25 -0.02 0.00 -1.26 -0.73 105.19 104.72 1jof n GLY 309 Ca 0.00 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.00 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 13.81 0.00 0.00 1.61 8.25 -1.26 -4.75 115.22 132.88 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 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.04 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 -0.50 0.00 -0.55 0.41 2.88 0.09 -4.94 113.62 111.00 1jof n SER 311 Ca 0.18 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.65 1jof n SER 311 Cb 0.29 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.73 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 -3.35 -4.69 -3.46 5.15 0.66 -4.68 115.26 104.88 1jof n ASN 312 Ca 0.00 0.10 -0.42 0.00 -0.60 0.00 0.00 54.58 53.66 1jof n ASN 312 Cb 0.00 -1.82 -0.03 0.00 -0.53 0.00 0.00 39.78 37.41 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 -2.26 3.62 0.07 5.20 0.00 -1.21 -4.71 121.76 122.47 1jof s ALA 313 Ca 0.00 1.00 -0.12 0.00 0.00 0.00 0.00 51.96 52.84 1jof s ALA 313 Cb 0.00 -3.62 -0.06 0.00 0.00 0.00 0.00 23.12 19.44 1jof s ALA 313 CO 0.00 -0.95 0.43 0.14 0.00 0.00 0.00 175.76 175.39 1jof s VAL 314 N 2.35 5.02 -0.32 0.00 -7.23 -1.26 -2.83 120.40 116.13 1jof s VAL 314 Ca 0.67 0.64 -0.02 0.00 -1.81 0.00 0.00 61.98 61.47 1jof s VAL 314 Cb -0.34 -3.68 0.11 0.00 0.56 0.00 0.00 36.38 33.02 1jof s VAL 314 CO 0.28 0.36 0.15 -0.55 -0.31 0.00 0.00 175.10 175.04 1jof s SER 315 N -1.56 3.55 0.43 4.85 0.15 0.19 -4.87 113.70 116.44 1jof s SER 315 Ca 0.31 -1.72 -0.25 0.00 0.70 0.00 0.00 55.95 54.99 1jof s SER 315 Cb -0.15 -0.56 -0.08 0.00 -1.71 0.00 0.00 66.02 63.52 1jof s SER 315 CO 0.17 -0.39 1.29 -2.84 1.20 0.00 0.00 173.24 172.67 1jof s PRO 316 N 1.56 3.86 0.16 5.44 0.02 -1.26 -1.30 135.00 143.49 1jof s PRO 316 Ca 0.12 2.11 -0.31 0.00 0.02 0.00 0.00 61.00 62.94 1jof s PRO 316 Cb -0.19 -2.67 -0.10 0.00 0.02 0.00 0.00 34.50 31.57 1jof s PRO 316 CO -0.21 -0.56 1.58 0.00 -0.33 0.00 0.00 177.00 177.47 1jof n PRO 318 N 4.11 0.18 -0.01 0.00 -0.02 -1.26 -3.24 135.00 134.76 1jof n PRO 318 Ca 0.14 0.48 0.01 0.00 -2.02 0.00 0.00 63.50 62.12 1jof n PRO 318 Cb 0.39 -1.89 0.02 0.00 -0.02 0.00 0.00 33.50 31.99 1jof n PRO 318 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1jof n TRP 319 N -2.23 0.02 -3.65 6.00 8.01 -1.26 -4.66 117.44 119.68 1jof n TRP 319 Ca 0.01 -0.09 -0.11 0.00 -1.31 0.00 0.00 57.50 56.00 1jof n TRP 319 Cb 0.17 -0.01 -0.07 0.00 -2.01 0.00 0.00 31.31 29.39 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 -0.37 -0.79 0.48 -0.99 0.15 -1.20 -4.99 113.70 106.00 1jof s SER 320 Ca 0.04 1.39 0.32 0.00 0.70 0.00 0.00 55.95 58.40 1jof s SER 320 Cb 0.02 1.34 1.46 0.00 -1.71 0.00 0.00 66.02 67.14 1jof s SER 320 CO 0.04 -0.23 1.96 0.44 1.20 0.00 0.00 173.24 176.65 1jof h ASP 321 N 5.94 0.00 -0.04 5.45 5.19 -1.95 -3.32 116.42 127.69 1jof h ASP 321 Ca -0.30 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.10 1jof h ASP 321 Cb 1.19 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.69 1jof h ASP 321 CO 0.12 0.00 0.00 -0.08 -3.12 0.00 0.00 179.24 176.17 1jof h GLU 322 N 0.00 0.11 0.00 3.56 4.81 -1.92 -3.40 114.58 117.74 1jof h GLU 322 Ca 0.00 -0.01 -0.36 0.00 -0.13 0.00 0.00 59.36 58.86 1jof h GLU 322 Cb 0.33 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.62 1jof h GLU 322 CO 0.00 0.12 -0.26 0.91 -0.73 0.00 0.00 179.01 179.05 1jof n TRP 323 N -4.47 0.58 -3.63 0.92 7.02 -1.25 -0.42 117.44 116.19 1jof n TRP 323 Ca -0.02 -1.38 -0.13 0.00 -1.02 0.00 0.00 57.50 54.95 1jof n TRP 323 Cb 0.12 -0.16 -0.06 0.00 -2.42 0.00 0.00 31.31 28.79 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 -2.49 -1.11 -0.02 6.99 0.00 -0.42 -1.34 121.76 123.37 1jof s ALA 325 Ca 0.01 0.38 -0.05 0.00 0.00 0.00 0.00 51.96 52.30 1jof s ALA 325 Cb 0.00 0.38 0.01 0.00 0.00 0.00 0.00 23.12 23.51 1jof s ALA 325 CO 0.01 -0.49 0.12 -1.50 0.00 0.00 0.00 175.76 173.91 1jof s ILE 326 N -2.56 0.04 0.17 0.00 2.07 -0.76 0.57 121.20 120.73 1jof s ILE 326 Ca -0.05 -0.37 0.09 0.00 -1.41 0.00 0.00 60.65 58.91 1jof s ILE 326 Cb -0.01 -0.31 -0.04 0.00 0.13 0.00 0.00 42.46 42.24 1jof s ILE 326 CO -0.03 -0.20 -0.19 0.42 -1.91 0.00 0.00 174.94 173.03 1jof s THR 327 N -0.68 1.86 0.02 4.00 -4.23 -1.13 -1.75 115.64 113.75 1jof s THR 327 Ca -0.08 -1.93 -0.07 0.00 -1.18 0.00 0.00 61.69 58.44 1jof s THR 327 Cb -0.05 -1.87 -0.00 0.00 1.34 0.00 0.00 72.50 71.92 1jof s THR 327 CO 0.01 -0.30 0.12 1.51 -0.54 0.00 0.00 174.62 175.42 1jof s ASP 328 N -2.67 0.09 -0.17 3.99 -4.77 -1.10 -0.24 116.67 111.80 1jof s ASP 328 Ca 0.16 -0.37 0.15 0.00 -3.30 0.00 0.00 52.55 49.19 1jof s ASP 328 Cb -0.06 0.22 0.37 0.00 -1.09 0.00 0.00 42.92 42.36 1jof s ASP 328 CO 0.07 -0.45 1.21 -0.90 0.70 0.00 0.00 175.17 175.80 1jof n ASP 329 N 1.07 2.15 -0.10 2.11 5.75 -1.19 -3.31 116.55 123.04 1jof n ASP 329 Ca -0.21 -3.47 -0.19 0.00 -0.01 0.00 0.00 54.79 50.92 1jof n ASP 329 Cb 0.57 -0.49 -0.11 0.00 -1.03 0.00 0.00 41.12 40.07 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 0.55 0.00 0.00 0.11 4.15 -1.83 -3.42 115.11 114.67 1jof h GLN 330 Ca 0.01 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.35 1jof h GLN 330 Cb 1.05 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.73 1jof h GLN 330 CO 0.03 0.88 -1.57 0.39 -1.93 0.00 0.00 178.83 176.64 1jof n GLU 331 N -4.48 1.29 -0.84 1.69 1.02 -1.26 -5.05 120.64 113.01 1jof n GLU 331 Ca -0.27 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 56.82 1jof n GLU 331 Cb 0.61 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.78 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 2.14 0.97 3.90 0.62 0.00 -1.21 -4.73 105.19 106.88 1jof n GLY 332 Ca -0.08 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.32 3.49 -0.26 1.61 0.52 -1.23 -0.87 118.94 119.88 1jof s TRP 333 Ca 0.00 0.25 -0.01 0.00 0.02 0.00 0.00 56.10 56.36 1jof s TRP 333 Cb 0.00 -1.76 0.04 0.00 -1.15 0.00 0.00 33.47 30.60 1jof s TRP 333 CO 0.00 0.59 -0.05 -1.17 0.02 0.00 0.00 176.95 176.34 1jof s LEU 334 N -2.41 3.40 0.11 2.99 1.98 -0.34 -2.71 118.68 121.71 1jof s LEU 334 Ca 0.33 -1.04 0.06 0.00 -2.89 0.00 0.00 54.13 50.59 1jof s LEU 334 Cb -0.13 -1.66 -0.04 0.00 0.66 0.00 0.00 46.19 45.02 1jof s LEU 334 CO 0.26 -0.17 -0.04 -1.61 -1.89 0.00 0.00 176.35 172.90 1jof s GLU 335 N 1.28 2.35 -0.10 1.98 2.02 -0.71 -1.39 118.70 124.13 1jof s GLU 335 Ca -0.02 -0.95 0.02 0.00 0.02 0.00 0.00 54.97 54.03 1jof s GLU 335 Cb -0.18 -2.42 0.01 0.00 0.10 0.00 0.00 34.13 31.65 1jof s GLU 335 CO -0.04 0.52 -0.14 0.42 0.02 0.00 0.00 175.26 176.04 1jof s ILE 336 N -1.32 1.36 0.24 -1.63 1.01 0.38 -1.83 121.20 119.41 1jof s ILE 336 Ca 0.24 -0.57 0.09 0.00 0.00 0.00 0.00 60.65 60.41 1jof s ILE 336 Cb -0.11 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 1jof s ILE 336 CO 0.16 0.41 0.01 -0.31 0.00 0.00 0.00 174.94 175.21 1jof s TYR 337 N 0.96 2.76 -0.07 3.97 1.51 -1.26 -0.87 117.35 124.35 1jof s TYR 337 Ca -0.08 -0.19 0.01 0.00 -1.01 0.00 0.00 57.07 55.80 1jof s TYR 337 Cb -0.15 -1.26 -0.03 0.00 -0.11 0.00 0.00 41.96 40.41 1jof s TYR 337 CO -0.00 0.58 -0.08 0.50 -1.11 0.00 0.00 175.55 175.44 1jof s ARG 338 N -3.47 2.73 -0.32 -0.62 3.52 0.57 -4.33 118.95 117.02 1jof s ARG 338 Ca 0.30 -0.57 -0.08 0.00 -0.13 0.00 0.00 55.73 55.25 1jof s ARG 338 Cb -0.07 -2.57 0.02 0.00 -1.56 0.00 0.00 34.95 30.77 1jof s ARG 338 CO 0.20 0.65 0.12 -0.46 -0.81 0.00 0.00 175.30 175.00 1jof s TRP 339 N -0.78 3.20 -0.06 5.12 -0.00 0.44 -1.75 118.94 125.11 1jof s TRP 339 Ca 0.12 -1.04 -0.02 0.00 -0.00 0.00 0.00 56.10 55.16 1jof s TRP 339 Cb -0.11 -2.31 0.04 0.00 -0.00 0.00 0.00 33.47 31.09 1jof s TRP 339 CO 0.01 -0.62 0.11 0.21 -0.00 0.00 0.00 176.95 176.67 1jof s LYS 340 N 1.50 0.02 -1.51 5.86 2.47 -0.62 -4.53 119.74 122.94 1jof s LYS 340 Ca 0.02 0.40 -0.13 0.00 -1.56 0.00 0.00 55.97 54.69 1jof s LYS 340 Cb -0.18 -0.28 0.08 0.00 -1.46 0.00 0.00 37.83 35.99 1jof s LYS 340 CO 0.04 -0.24 0.88 -0.25 0.16 0.00 0.00 175.35 175.94 1jof n ASP 341 N 4.72 -4.73 -3.36 1.43 8.00 -1.26 -1.68 116.55 119.68 1jof n ASP 341 Ca -0.16 -0.69 -0.24 0.00 0.71 0.00 0.00 54.79 54.40 1jof n ASP 341 Cb 0.50 -3.80 0.03 0.00 -0.02 0.00 0.00 41.12 37.84 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 -4.49 -5.27 -4.04 -1.24 1.02 -1.26 -5.00 120.64 100.37 1jof n GLU 342 Ca 0.03 0.75 -0.13 0.00 -0.02 0.00 0.00 57.16 57.79 1jof n GLU 342 Cb 0.53 -5.62 -0.13 0.00 -0.02 0.00 0.00 31.44 26.20 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 -3.17 0.41 -0.12 -0.32 0.40 -0.67 -5.00 117.98 109.49 1jof s PHE 343 Ca 0.44 -0.30 -0.03 0.00 -0.60 0.00 0.00 56.93 56.44 1jof s PHE 343 Cb -0.21 -0.26 -0.03 0.00 0.51 0.00 0.00 43.02 43.03 1jof s PHE 343 CO 0.55 -0.07 -0.00 -1.17 0.70 0.00 0.00 175.22 175.22 1jof s LEU 344 N -0.86 3.51 -0.02 -0.37 2.96 -1.26 -1.58 118.68 121.05 1jof s LEU 344 Ca -0.06 0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 53.89 1jof s LEU 344 Cb -0.06 -1.83 0.02 0.00 0.50 0.00 0.00 46.19 44.82 1jof s LEU 344 CO -0.00 0.28 0.05 -1.38 -1.32 0.00 0.00 176.35 173.98 1jof s HIS 345 N -0.32 -0.04 0.32 5.38 -3.43 -0.72 -4.97 115.29 111.52 1jof s HIS 345 Ca 0.06 0.17 -0.29 0.00 -0.80 0.00 0.00 55.06 54.20 1jof s HIS 345 Cb -0.12 -0.08 -0.10 0.00 -1.43 0.00 0.00 32.58 30.85 1jof s HIS 345 CO 0.02 -0.06 1.24 0.50 -2.00 0.00 0.00 174.74 174.44 1jof s ARG 346 N 0.50 4.43 0.00 -0.38 3.52 -1.26 -0.32 118.95 125.45 1jof s ARG 346 Ca -0.04 2.08 0.00 0.00 -0.13 0.00 0.00 55.73 57.64 1jof s ARG 346 Cb -0.06 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.24 1jof s ARG 346 CO -0.02 -0.07 0.00 1.33 -0.81 0.00 0.00 175.30 175.73 1jof n VAL 347 N 0.89 0.00 -3.54 7.11 0.24 -0.05 -4.86 118.33 118.13 1jof n VAL 347 Ca -0.00 -0.18 -0.08 0.00 -2.04 0.00 0.00 64.34 62.04 1jof n VAL 347 Cb 0.43 0.67 -0.03 0.00 -1.47 0.00 0.00 33.84 33.44 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 -1.23 -1.90 -0.05 2.33 0.00 -1.12 -4.62 121.76 115.16 1jof s ALA 348 Ca 0.00 1.26 -0.30 0.00 0.00 0.00 0.00 51.96 52.92 1jof s ALA 348 Cb 0.00 0.05 0.11 0.00 0.00 0.00 0.00 23.12 23.29 1jof s ALA 348 CO 0.00 -0.58 0.95 -0.98 0.00 0.00 0.00 175.76 175.14 1jof s ARG 349 N -2.54 0.72 -0.06 0.00 1.70 -1.26 -0.47 118.95 117.03 1jof s ARG 349 Ca 0.04 -0.21 -0.08 0.00 -0.47 0.00 0.00 55.73 55.02 1jof s ARG 349 Cb -0.01 0.33 0.02 0.00 -0.57 0.00 0.00 34.95 34.72 1jof s ARG 349 CO -0.06 -0.30 0.21 0.54 -1.08 0.00 0.00 175.30 174.61 1jof s VAL 350 N -2.72 0.02 -0.13 4.99 0.11 -0.48 -4.60 120.40 117.58 1jof s VAL 350 Ca 0.05 -0.14 -0.05 0.00 -2.93 0.00 0.00 61.98 58.90 1jof s VAL 350 Cb -0.01 -0.35 -0.04 0.00 -1.53 0.00 0.00 36.38 34.45 1jof s VAL 350 CO -0.07 -0.08 0.05 -0.60 -3.33 0.00 0.00 175.10 171.08 1jof s ARG 351 N -0.22 3.47 -0.31 1.54 3.52 -1.26 -1.19 118.95 124.49 1jof s ARG 351 Ca -0.03 -0.32 0.02 0.00 -0.13 0.00 0.00 55.73 55.27 1jof s ARG 351 Cb -0.03 -3.04 0.08 0.00 -1.56 0.00 0.00 34.95 30.40 1jof s ARG 351 CO 0.01 0.55 -0.01 0.42 -0.81 0.00 0.00 175.30 175.46 1jof s ILE 352 N -0.43 2.40 -0.56 4.11 1.01 -0.05 -5.01 121.20 122.66 1jof s ILE 352 Ca 0.09 -1.94 0.00 0.00 0.00 0.00 0.00 60.65 58.81 1jof s ILE 352 Cb -0.12 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.77 1jof s ILE 352 CO 0.02 -0.33 0.00 -2.65 0.00 0.00 0.00 174.94 171.98 1jof n PRO 353 N 4.39 0.00 -4.09 2.79 -0.02 -1.26 -4.74 135.00 132.07 1jof n PRO 353 Ca -0.06 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.20 1jof n PRO 353 Cb 0.42 -1.02 -0.05 0.00 -0.02 0.00 0.00 33.50 32.83 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 -0.32 2.73 0.12 -0.52 0.41 -1.26 -5.05 118.70 114.81 1jof s GLU 354 Ca 0.00 -1.20 -0.33 0.00 -0.41 0.00 0.00 54.97 53.03 1jof s GLU 354 Cb 0.00 -2.45 -0.12 0.00 -1.78 0.00 0.00 34.13 29.78 1jof s GLU 354 CO 0.00 0.31 1.74 -2.30 -0.49 0.00 0.00 175.26 174.52 1jof n PRO 355 N -1.16 2.48 -1.05 0.39 -0.02 -1.26 -2.18 135.00 132.19 1jof n PRO 355 Ca -0.06 0.90 -0.02 0.00 -2.02 0.00 0.00 63.50 62.30 1jof n PRO 355 Cb 0.59 -2.74 -0.01 0.00 -0.02 0.00 0.00 33.50 31.32 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 3.93 0.28 3.73 -1.23 0.00 -1.26 -4.44 105.19 106.20 1jof n GLY 356 Ca 0.18 -0.03 -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 -1.36 3.13 0.00 1.61 5.36 -0.93 -1.06 117.98 124.73 1jof s PHE 357 Ca 0.00 1.00 0.00 0.00 -0.96 0.00 0.00 56.93 56.97 1jof s PHE 357 Cb 0.00 -3.75 0.00 0.00 -0.34 0.00 0.00 43.02 38.93 1jof s PHE 357 CO 0.00 -2.53 0.00 0.41 -1.46 0.00 0.00 175.22 171.64 1jof n GLY 358 N 2.73 1.84 3.87 13.12 0.00 -1.19 -3.89 105.19 121.69 1jof n GLY 358 Ca 0.09 -0.80 -0.33 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 6.62 -0.04 1.61 4.22 -1.26 -3.39 114.94 122.70 1jof s ASN 360 Ca 0.00 0.80 0.04 0.00 -2.14 0.00 0.00 52.86 51.55 1jof s ASN 360 Cb 0.00 -2.18 -0.03 0.00 1.28 0.00 0.00 41.25 40.33 1jof s ASN 360 CO 0.00 0.09 -0.14 0.00 -2.04 0.00 0.00 177.10 175.01 1jof s ALA 361 N -1.55 2.70 -0.00 3.54 0.00 -1.26 -3.54 121.76 121.64 1jof s ALA 361 Ca 0.38 -0.99 0.05 0.00 0.00 0.00 0.00 51.96 51.41 1jof s ALA 361 Cb -0.13 -0.98 -0.01 0.00 0.00 0.00 0.00 23.12 22.00 1jof s ALA 361 CO 0.20 0.56 -0.17 0.96 0.00 0.00 0.00 175.76 177.32 1jof s ILE 362 N -0.76 1.32 -0.12 0.00 -4.36 -1.26 -4.79 121.20 111.23 1jof s ILE 362 Ca 0.12 -0.78 -0.20 0.00 -0.26 0.00 0.00 60.65 59.53 1jof s ILE 362 Cb -0.11 -1.11 -0.04 0.00 1.25 0.00 0.00 42.46 42.45 1jof s ILE 362 CO 0.01 0.32 0.56 0.26 0.24 0.00 0.00 174.94 176.33 1jof s TRP 363 N -0.47 3.50 -0.08 1.37 0.52 -1.26 -4.32 118.94 118.20 1jof s TRP 363 Ca 0.06 0.99 0.03 0.00 0.02 0.00 0.00 56.10 57.20 1jof s TRP 363 Cb -0.07 -2.66 0.01 0.00 -1.15 0.00 0.00 33.47 29.60 1jof s TRP 363 CO -0.00 0.08 -0.18 -0.47 0.02 0.00 0.00 176.95 176.40 1jof s TYR 364 N 0.91 2.04 0.00 -1.98 5.04 -0.55 -5.00 117.35 117.80 1jof s TYR 364 Ca 0.29 -0.81 0.00 0.00 -2.44 0.00 0.00 57.07 54.11 1jof s TYR 364 Cb -0.16 -1.41 0.00 0.00 0.35 0.00 0.00 41.96 40.74 1jof s TYR 364 CO 0.12 -0.36 0.00 -0.25 -1.34 0.00 0.00 175.55 173.73