#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 4.30 0.14 2.45 1.43 -1.26 -2.28 118.68 123.46 1jof s LEU 2 Ca 0.00 0.60 0.02 0.00 -1.03 0.00 0.00 54.13 53.73 1jof s LEU 2 Cb 0.00 -3.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 1jof s LEU 2 CO 0.00 0.11 -0.05 -1.00 0.23 0.00 0.00 176.35 175.64 1jof s HIS 3 N -1.54 1.09 0.01 0.29 3.76 -0.31 -4.97 115.29 113.62 1jof s HIS 3 Ca 0.37 -0.90 0.01 0.00 -0.15 0.00 0.00 55.06 54.39 1jof s HIS 3 Cb -0.13 -0.61 -0.01 0.00 1.11 0.00 0.00 32.58 32.95 1jof s HIS 3 CO 0.22 -0.10 -0.04 -1.01 -0.85 0.00 0.00 174.74 172.95 1jof s HIS 4 N -3.55 0.39 0.00 1.40 3.76 -0.84 -0.85 115.29 115.60 1jof s HIS 4 Ca 0.17 -0.22 0.00 0.00 -0.15 0.00 0.00 55.06 54.86 1jof s HIS 4 Cb 0.05 -0.25 0.00 0.00 1.11 0.00 0.00 32.58 33.49 1jof s HIS 4 CO -0.01 -0.04 0.00 1.28 -0.85 0.00 0.00 174.74 175.12 1jof n LEU 5 N 2.47 0.00 0.00 0.89 4.32 0.02 -1.55 117.00 123.16 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 -3.30 -0.08 -0.00 -0.30 -0.23 119.36 115.45 1jof n ILE 7 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1jof n ILE 7 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 1jof n ILE 7 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1jof n GLY 8 N -0.37 3.62 3.10 7.39 0.00 -1.24 -1.45 105.19 116.25 1jof n GLY 8 Ca 0.00 -2.14 -0.08 0.00 0.00 0.00 0.00 46.02 43.80 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 0.29 0.34 -0.77 2.61 -4.23 -0.69 -3.22 115.64 109.96 1jof s THR 9 Ca 0.00 -1.79 0.25 0.00 -1.18 0.00 0.00 61.69 58.97 1jof s THR 9 Cb 0.00 -1.50 0.08 0.00 1.34 0.00 0.00 72.50 72.42 1jof s THR 9 CO 0.00 -0.94 1.45 1.87 -0.54 0.00 0.00 174.62 176.46 1jof n TRP 10 N 0.15 0.41 -4.08 3.99 -0.00 -0.32 -2.96 117.44 114.63 1jof n TRP 10 Ca -0.14 0.12 -0.10 0.00 -0.00 0.00 0.00 57.50 57.38 1jof n TRP 10 Cb 0.61 -0.57 -0.10 0.00 -0.00 0.00 0.00 31.31 31.24 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 -3.10 0.39 0.78 5.87 2.01 -1.26 -4.98 115.64 115.36 1jof s THR 11 Ca 0.09 -1.51 -0.11 0.00 0.31 0.00 0.00 61.69 60.47 1jof s THR 11 Cb 0.15 -1.12 0.06 0.00 0.01 0.00 0.00 72.50 71.60 1jof s THR 11 CO 0.69 -0.74 1.09 -2.84 -0.69 0.00 0.00 174.62 172.13 1jof s PRO 12 N -2.92 2.16 0.32 4.92 0.02 -1.26 -4.49 135.00 133.74 1jof s PRO 12 Ca 0.00 1.16 -0.27 0.00 0.02 0.00 0.00 61.00 61.91 1jof s PRO 12 Cb -0.00 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.54 1jof s PRO 12 CO -0.05 -1.71 1.03 -1.25 -0.33 0.00 0.00 177.00 174.70 1jof s PRO 13 N -4.90 4.53 0.41 5.54 0.04 -1.26 -4.81 135.00 134.55 1jof s PRO 13 Ca 0.61 1.59 -0.26 0.00 0.04 0.00 0.00 61.00 62.98 1jof s PRO 13 Cb -0.17 -2.95 -0.09 0.00 0.04 0.00 0.00 34.50 31.33 1jof s PRO 13 CO 0.56 0.17 1.34 0.20 0.04 0.00 0.00 177.00 179.31 1jof s GLY 14 N -1.25 2.93 -0.14 0.56 0.00 -0.34 -4.88 107.32 104.19 1jof s GLY 14 Ca 0.49 1.30 -0.30 0.00 0.00 0.00 0.00 44.72 46.21 1jof s GLY 14 CO 0.33 1.90 1.00 0.00 0.00 0.00 0.00 173.10 176.33 1jof s ALA 15 N -1.24 -1.93 -0.16 3.20 0.00 -1.26 -3.18 121.76 117.19 1jof s ALA 15 Ca 0.57 1.51 0.00 0.00 0.00 0.00 0.00 51.96 54.05 1jof s ALA 15 Cb -0.40 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.19 1jof s ALA 15 CO 0.51 -0.38 -0.16 0.42 0.00 0.00 0.00 175.76 176.16 1jof s ILE 16 N -1.47 2.52 -0.15 0.00 1.01 -0.07 -4.46 121.20 118.58 1jof s ILE 16 Ca 0.00 -0.81 -0.07 0.00 0.00 0.00 0.00 60.65 59.77 1jof s ILE 16 Cb -0.01 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 1jof s ILE 16 CO -0.01 0.52 0.10 -0.36 0.00 0.00 0.00 174.94 175.19 1jof s PHE 17 N 0.99 3.40 -0.30 3.97 0.40 -0.53 -0.68 117.98 125.24 1jof s PHE 17 Ca -0.02 0.32 -0.07 0.00 -0.60 0.00 0.00 56.93 56.56 1jof s PHE 17 Cb -0.15 -2.00 0.01 0.00 0.51 0.00 0.00 43.02 41.39 1jof s PHE 17 CO -0.03 0.45 0.08 0.99 0.70 0.00 0.00 175.22 177.41 1jof s THR 18 N -0.33 3.96 -0.02 0.64 2.01 0.16 -1.15 115.64 120.91 1jof s THR 18 Ca 0.10 -0.74 -0.02 0.00 0.31 0.00 0.00 61.69 61.34 1jof s THR 18 Cb -0.12 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 1jof s THR 18 CO 0.01 0.05 0.11 -0.69 -0.69 0.00 0.00 174.62 173.42 1jof s VAL 19 N 1.49 5.01 -0.11 3.82 1.01 0.68 -1.04 120.40 131.26 1jof s VAL 19 Ca 0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 1jof s VAL 19 Cb -0.17 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1jof s VAL 19 CO 0.03 0.38 -0.08 -1.58 0.00 0.00 0.00 175.10 173.85 1jof s GLN 20 N -1.68 3.17 -0.17 2.72 0.74 0.75 -0.80 119.66 124.39 1jof s GLN 20 Ca 0.23 -0.58 0.01 0.00 0.05 0.00 0.00 55.36 55.07 1jof s GLN 20 Cb -0.12 -2.69 0.02 0.00 1.10 0.00 0.00 33.01 31.32 1jof s GLN 20 CO 0.14 0.42 -0.19 0.12 -0.55 0.00 0.00 175.29 175.24 1jof s PHE 21 N -0.17 2.62 -0.41 1.67 5.36 -0.03 -1.73 117.98 125.29 1jof s PHE 21 Ca 0.02 -1.52 -0.19 0.00 -0.96 0.00 0.00 56.93 54.27 1jof s PHE 21 Cb -0.13 -1.83 0.01 0.00 -0.34 0.00 0.00 43.02 40.73 1jof s PHE 21 CO 0.03 -0.76 0.57 0.34 -1.46 0.00 0.00 175.22 173.94 1jof s ASP 22 N 1.30 6.30 0.00 6.13 -1.08 -0.73 -1.16 116.67 127.44 1jof s ASP 22 Ca 0.04 -0.29 0.19 0.00 -0.52 0.00 0.00 52.55 51.97 1jof s ASP 22 Cb -0.13 -2.29 1.12 0.00 -1.46 0.00 0.00 42.92 40.16 1jof s ASP 22 CO -0.12 -0.65 1.69 -0.90 0.52 0.00 0.00 175.17 175.71 1jof n ASP 23 N 5.99 0.00 -0.10 -0.34 5.68 -0.96 -0.42 116.55 126.39 1jof n ASP 23 Ca -0.03 -1.32 -0.15 0.00 -0.50 0.00 0.00 54.79 52.79 1jof n ASP 23 Cb 0.48 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.38 1jof n ASP 23 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1jof n GLU 24 N -0.81 0.46 0.04 0.11 1.02 -1.26 -4.50 120.64 115.70 1jof n GLU 24 Ca 0.14 0.13 0.12 0.00 -0.02 0.00 0.00 57.16 57.53 1jof n GLU 24 Cb 0.06 -1.34 0.12 0.00 -0.02 0.00 0.00 31.44 30.26 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 -3.25 0.25 -3.40 3.49 5.02 -1.22 -4.98 118.16 114.07 1jof n LYS 25 Ca -0.35 0.04 -0.20 0.00 -2.02 0.00 0.00 58.31 55.77 1jof n LYS 25 Cb 0.84 -1.62 0.06 0.00 -0.02 0.00 0.00 35.03 34.29 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 -1.96 -4.71 -4.28 -0.35 4.77 0.43 -5.03 117.00 105.87 1jof n LEU 26 Ca 0.03 -0.81 -0.15 0.00 -0.03 0.00 0.00 56.01 55.05 1jof n LEU 26 Cb 0.42 -2.95 -0.10 0.00 -2.33 0.00 0.00 43.42 38.46 1jof n LEU 26 CO 0.38 0.23 -0.32 0.42 -1.33 0.00 0.00 177.39 176.76 1jof s THR 27 N -3.42 0.79 -0.03 -5.08 -4.23 -1.15 -4.47 115.64 98.06 1jof s THR 27 Ca 0.46 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.98 1jof s THR 27 Cb -0.09 -2.26 0.01 0.00 1.34 0.00 0.00 72.50 71.49 1jof s THR 27 CO 0.78 -0.37 -0.07 0.00 -0.54 0.00 0.00 174.62 174.42 1jof s LYS 29 N 0.36 0.03 -0.10 0.00 3.01 -0.71 -4.79 119.74 117.55 1jof s LYS 29 Ca -0.05 0.04 -0.30 0.00 -1.01 0.00 0.00 55.97 54.65 1jof s LYS 29 Cb -0.09 -0.11 -0.01 0.00 -1.01 0.00 0.00 37.83 36.61 1jof s LYS 29 CO 0.00 -0.04 1.01 -1.17 0.51 0.00 0.00 175.35 175.66 1jof s LEU 30 N 0.29 4.25 0.00 3.17 2.96 -1.26 -0.17 118.68 127.92 1jof s LEU 30 Ca -0.02 1.54 0.04 0.00 -0.22 0.00 0.00 54.13 55.46 1jof s LEU 30 Cb -0.04 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.12 1jof s LEU 30 CO -0.01 -0.44 0.57 2.30 -1.32 0.00 0.00 176.35 177.45 1jof n ILE 31 N 4.52 0.00 -3.64 6.68 -5.35 -0.21 -4.94 119.36 116.43 1jof n ILE 31 Ca 0.09 -0.49 -0.04 0.00 -0.27 0.00 0.00 62.75 62.03 1jof n ILE 31 Cb 0.49 1.07 -0.07 0.00 -1.74 0.00 0.00 39.64 39.39 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 -0.45 0.37 -0.33 6.28 2.47 -1.16 -4.97 119.74 121.94 1jof s LYS 32 Ca 0.04 0.54 0.04 0.00 -1.56 0.00 0.00 55.97 55.03 1jof s LYS 32 Cb 0.03 0.12 0.10 0.00 -1.46 0.00 0.00 37.83 36.62 1jof s LYS 32 CO 0.06 -0.06 0.04 0.50 0.16 0.00 0.00 175.35 176.05 1jof s ARG 33 N 0.80 1.52 -0.29 4.03 3.52 -1.26 -0.66 118.95 126.61 1jof s ARG 33 Ca -0.03 -1.82 -0.21 0.00 -0.13 0.00 0.00 55.73 53.54 1jof s ARG 33 Cb -0.04 -3.16 -0.01 0.00 -1.56 0.00 0.00 34.95 30.18 1jof s ARG 33 CO -0.12 -0.91 0.66 0.99 -0.81 0.00 0.00 175.30 175.11 1jof s THR 34 N 0.93 4.92 0.41 4.11 2.01 0.15 -4.93 115.64 123.24 1jof s THR 34 Ca 0.09 1.00 -0.24 0.00 0.31 0.00 0.00 61.69 62.85 1jof s THR 34 Cb -0.19 -4.01 -0.08 0.00 0.01 0.00 0.00 72.50 68.23 1jof s THR 34 CO -0.08 -0.11 1.11 -0.70 -0.69 0.00 0.00 174.62 174.15 1jof s GLU 35 N 2.64 4.07 0.17 4.92 2.12 -1.26 -0.89 118.70 130.47 1jof s GLU 35 Ca 0.27 1.67 -0.04 0.00 0.36 0.00 0.00 54.97 57.23 1jof s GLU 35 Cb -0.15 -2.58 -0.03 0.00 0.26 0.00 0.00 34.13 31.63 1jof s GLU 35 CO 0.11 -0.26 0.17 0.96 -0.54 0.00 0.00 175.26 175.70 1jof s ILE 36 N -1.55 0.05 -0.31 -3.70 -4.36 -1.19 -4.88 121.20 105.26 1jof s ILE 36 Ca 0.58 -1.77 -0.28 0.00 -0.26 0.00 0.00 60.65 58.92 1jof s ILE 36 Cb -0.26 -2.16 -0.12 0.00 1.25 0.00 0.00 42.46 41.17 1jof s ILE 36 CO 0.33 -0.24 1.12 -2.65 0.24 0.00 0.00 174.94 173.74 1jof n PRO 37 N -0.20 0.00 -0.33 0.37 -0.02 -1.26 -4.36 135.00 129.20 1jof n PRO 37 Ca -0.03 0.00 0.26 0.00 -2.02 0.00 0.00 63.50 61.71 1jof n PRO 37 Cb 0.64 -0.93 0.51 0.00 -0.02 0.00 0.00 33.50 33.70 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 4.07 0.22 -0.60 -0.52 -0.00 -1.96 0.50 115.11 116.83 1jof h GLN 38 Ca -0.19 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.45 1jof h GLN 38 Cb 0.86 -0.05 0.00 0.00 -0.00 0.00 0.00 27.48 28.29 1jof h GLN 38 CO 0.63 0.15 0.00 -0.40 -0.00 0.00 0.00 178.83 179.21 1jof n ASP 39 N -5.11 5.23 -2.65 0.06 5.75 -1.26 -1.20 116.55 117.36 1jof n ASP 39 Ca 0.34 -2.70 -0.26 0.00 -0.01 0.00 0.00 54.79 52.15 1jof n ASP 39 Cb 1.07 -0.63 -0.01 0.00 -1.03 0.00 0.00 41.12 40.52 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 0.83 3.27 -1.96 0.11 1.02 0.17 -4.71 120.64 119.37 1jof n GLU 40 Ca 0.27 -4.58 -0.40 0.00 -0.02 0.00 0.00 57.16 52.43 1jof n GLU 40 Cb 1.04 -2.21 -0.00 0.00 -0.02 0.00 0.00 31.44 30.25 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 -3.49 3.95 -0.49 3.49 0.04 -1.26 -4.78 135.00 132.46 1jof s PRO 41 Ca 0.48 2.28 -0.17 0.00 0.04 0.00 0.00 61.00 63.63 1jof s PRO 41 Cb 0.36 -2.79 0.07 0.00 0.04 0.00 0.00 34.50 32.18 1jof s PRO 41 CO -0.16 -0.55 0.48 0.42 0.04 0.00 0.00 177.00 177.22 1jof s ILE 42 N -1.22 5.11 -0.95 0.56 1.01 -1.24 -4.30 121.20 120.18 1jof s ILE 42 Ca 0.57 -0.92 0.28 0.00 0.00 0.00 0.00 60.65 60.57 1jof s ILE 42 Cb -0.41 -4.20 0.20 0.00 0.01 0.00 0.00 42.46 38.06 1jof s ILE 42 CO 0.53 -0.68 1.81 -1.54 0.00 0.00 0.00 174.94 175.06 1jof n SER 43 N 5.53 0.20 -3.58 3.58 3.41 -0.85 -1.70 113.62 120.21 1jof n SER 43 Ca -0.11 0.38 -0.13 0.00 -0.26 0.00 0.00 58.87 58.75 1jof n SER 43 Cb 0.44 -0.40 -0.05 0.00 -0.26 0.00 0.00 64.21 63.94 1jof n SER 43 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1jof s TRP 44 N -3.02 -0.38 0.00 7.33 -0.11 -1.24 -4.55 118.94 116.96 1jof s TRP 44 Ca 0.13 0.35 0.00 0.00 1.22 0.00 0.00 56.10 57.79 1jof s TRP 44 Cb 0.18 0.33 0.00 0.00 -1.50 0.00 0.00 33.47 32.48 1jof s TRP 44 CO 0.57 -0.66 0.00 -2.37 -4.62 0.00 0.00 176.95 169.87 1jof n THR 46 N 0.26 0.00 -3.19 5.86 5.66 -0.76 -0.49 114.28 121.62 1jof n THR 46 Ca -0.18 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.57 1jof n THR 46 Cb 0.61 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 0.59 1.09 0.40 -1.26 -1.28 117.98 119.02 1jof s PHE 47 Ca 0.00 0.52 -0.06 0.00 -0.60 0.00 0.00 56.93 56.78 1jof s PHE 47 Cb 0.00 -2.03 0.13 0.00 0.51 0.00 0.00 43.02 41.63 1jof s PHE 47 CO 0.00 0.04 0.80 -0.40 0.70 0.00 0.00 175.22 176.36 1jof n ASP 48 N -1.74 0.43 0.33 1.36 5.75 -0.96 -4.74 116.55 116.98 1jof n ASP 48 Ca -0.03 -1.51 0.22 0.00 -0.01 0.00 0.00 54.79 53.45 1jof n ASP 48 Cb 0.55 -0.58 1.14 0.00 -1.03 0.00 0.00 41.12 41.20 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 -1.10 0.00 -0.17 2.11 2.07 -1.88 -2.14 115.15 114.04 1jof h HIS 49 Ca -0.26 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.26 1jof h HIS 49 Cb 0.81 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.79 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 -3.15 2.46 -3.15 5.12 1.02 -1.26 -4.97 120.64 116.71 1jof n GLU 50 Ca -0.03 -1.67 -0.23 0.00 -0.02 0.00 0.00 57.16 55.22 1jof n GLU 50 Cb 0.10 -1.15 0.02 0.00 -0.02 0.00 0.00 31.44 30.39 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 0.12 -4.49 0.00 3.49 1.74 -0.81 -4.84 116.66 111.87 1jof n ARG 51 Ca 0.06 0.76 0.10 0.00 -0.77 0.00 0.00 57.85 58.00 1jof n ARG 51 Cb 0.32 -5.58 -0.08 0.00 -1.02 0.00 0.00 32.46 26.10 1jof n ARG 51 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1jof n LYS 52 N -3.96 0.81 -4.01 5.56 5.02 -1.26 -4.82 118.16 115.50 1jof n LYS 52 Ca -0.08 -0.30 -0.08 0.00 -2.02 0.00 0.00 58.31 55.83 1jof n LYS 52 Cb 0.59 -1.42 -0.10 0.00 -0.02 0.00 0.00 35.03 34.09 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 -2.67 0.33 -0.07 4.39 0.01 -1.26 -0.14 114.94 115.52 1jof s ASN 53 Ca 0.10 -0.76 0.02 0.00 -0.71 0.00 0.00 52.86 51.51 1jof s ASN 53 Cb 0.15 0.20 0.01 0.00 0.41 0.00 0.00 41.25 42.03 1jof s ASN 53 CO 0.71 -0.53 -0.12 -0.63 -1.51 0.00 0.00 177.10 175.02 1jof s ILE 54 N -3.13 1.15 -0.00 0.60 1.01 0.13 -2.27 121.20 118.69 1jof s ILE 54 Ca -0.00 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.21 1jof s ILE 54 Cb 0.02 -1.07 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 1jof s ILE 54 CO -0.07 0.36 -0.07 -0.31 0.00 0.00 0.00 174.94 174.86 1jof s TYR 55 N 0.82 2.90 0.03 3.97 1.51 -0.41 -0.18 117.35 125.99 1jof s TYR 55 Ca -0.11 -0.03 0.00 0.00 -1.01 0.00 0.00 57.07 55.92 1jof s TYR 55 Cb -0.15 -1.62 -0.02 0.00 -0.11 0.00 0.00 41.96 40.05 1jof s TYR 55 CO 0.02 0.37 -0.04 0.20 -1.11 0.00 0.00 175.55 174.99 1jof s GLY 56 N -1.37 0.35 -0.55 0.71 0.00 -0.48 -1.82 107.32 104.16 1jof s GLY 56 Ca 0.17 -0.74 -0.21 0.00 0.00 0.00 0.00 44.72 43.93 1jof s GLY 56 CO 0.07 -0.82 0.78 0.00 0.00 0.00 0.00 173.10 173.13 1jof s ALA 57 N -1.87 3.28 -0.03 3.20 0.00 0.36 -2.09 121.76 124.61 1jof s ALA 57 Ca -0.10 -1.63 0.01 0.00 0.00 0.00 0.00 51.96 50.23 1jof s ALA 57 Cb -0.07 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 1jof s ALA 57 CO -0.02 -2.26 -0.02 0.00 0.00 0.00 0.00 175.76 173.46 1jof n ALA 58 N 6.80 1.93 0.00 0.00 0.00 -1.26 -2.01 120.51 125.98 1jof n ALA 58 Ca -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1jof n ALA 58 Cb 0.46 0.40 0.00 0.00 0.00 0.00 0.00 19.45 20.30 1jof n ALA 58 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jof n LYS 60 N -2.52 0.00 -4.32 0.00 4.76 -1.26 -4.61 118.16 110.21 1jof n LYS 60 Ca -0.05 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.22 1jof n LYS 60 Cb 0.56 -0.19 -0.10 0.00 -1.84 0.00 0.00 35.03 33.46 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 1.27 -0.33 1.97 -0.14 -1.26 -3.87 119.74 117.33 1jof s LYS 61 Ca 0.00 -1.61 0.01 0.00 -1.36 0.00 0.00 55.97 53.01 1jof s LYS 61 Cb 0.00 -0.74 0.08 0.00 -1.68 0.00 0.00 37.83 35.49 1jof s LYS 61 CO 0.00 0.01 0.03 -1.58 -0.76 0.00 0.00 175.35 173.05 1jof s TRP 62 N -3.29 3.49 0.24 3.18 0.52 0.44 -4.63 118.94 118.91 1jof s TRP 62 Ca 0.24 -2.46 0.04 0.00 0.02 0.00 0.00 56.10 53.95 1jof s TRP 62 Cb 0.04 -2.56 -0.03 0.00 -1.15 0.00 0.00 33.47 29.77 1jof s TRP 62 CO 0.06 -0.90 0.38 -1.54 0.02 0.00 0.00 176.95 174.97 1jof s SER 63 N 1.22 6.32 -0.04 2.95 1.04 -0.89 -0.99 113.70 123.32 1jof s SER 63 Ca 0.02 0.13 0.02 0.00 0.48 0.00 0.00 55.95 56.60 1jof s SER 63 Cb -0.20 -1.89 0.01 0.00 0.10 0.00 0.00 66.02 64.04 1jof s SER 63 CO -0.05 -0.09 -0.08 -0.55 0.98 0.00 0.00 173.24 173.46 1jof s SER 64 N -3.91 1.18 0.01 7.02 0.15 0.52 -1.38 113.70 117.28 1jof s SER 64 Ca 0.35 -0.18 0.03 0.00 0.70 0.00 0.00 55.95 56.84 1jof s SER 64 Cb -0.09 -0.43 -0.01 0.00 -1.71 0.00 0.00 66.02 63.78 1jof s SER 64 CO 0.30 0.02 -0.09 -0.36 1.20 0.00 0.00 173.24 174.32 1jof s PHE 65 N 0.48 0.76 -0.08 3.44 0.40 0.75 -1.13 117.98 122.59 1jof s PHE 65 Ca -0.08 -0.20 -0.13 0.00 -0.60 0.00 0.00 56.93 55.92 1jof s PHE 65 Cb -0.11 -0.48 -0.05 0.00 0.51 0.00 0.00 43.02 42.89 1jof s PHE 65 CO 0.01 -0.01 0.33 0.00 0.70 0.00 0.00 175.22 176.25 1jof s ALA 66 N -0.41 3.68 -0.27 5.36 0.00 -0.54 0.17 121.76 129.75 1jof s ALA 66 Ca 0.01 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.62 1jof s ALA 66 Cb -0.04 -2.34 0.05 0.00 0.00 0.00 0.00 23.12 20.79 1jof s ALA 66 CO -0.00 0.35 -0.07 0.08 0.00 0.00 0.00 175.76 176.12 1jof s VAL 67 N -0.47 2.51 -0.03 0.00 1.01 0.80 -0.66 120.40 123.56 1jof s VAL 67 Ca 0.20 -1.45 0.03 0.00 0.00 0.00 0.00 61.98 60.77 1jof s VAL 67 Cb -0.15 -2.42 -0.25 0.00 0.00 0.00 0.00 36.38 33.57 1jof s VAL 67 CO 0.09 0.00 0.73 0.07 0.00 0.00 0.00 175.10 175.99 1jof h LYS 68 N 7.88 0.13 -2.88 2.72 2.10 -1.39 -3.43 116.57 121.69 1jof h LYS 68 Ca -0.23 -0.22 0.04 0.00 -2.00 0.00 0.00 60.65 58.25 1jof h LYS 68 Cb 1.06 0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 32.45 1jof h LYS 68 CO 0.51 0.87 0.32 -1.54 -2.00 0.00 0.00 179.45 177.61 1jof s SER 69 N -6.61 -0.07 0.52 7.07 1.04 -1.22 -4.97 113.70 109.45 1jof s SER 69 Ca -0.09 -0.90 0.25 0.00 0.48 0.00 0.00 55.95 55.69 1jof s SER 69 Cb 0.08 0.75 1.37 0.00 0.10 0.00 0.00 66.02 68.31 1jof s SER 69 CO 0.82 -1.46 1.98 -0.65 0.98 0.00 0.00 173.24 174.92 1jof h PRO 70 N 2.00 0.04 -0.01 4.02 0.11 -1.99 -1.88 132.00 134.29 1jof h PRO 70 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1jof h PRO 70 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1jof h PRO 70 CO 0.35 0.03 -0.42 0.25 -0.21 0.00 0.00 178.00 177.99 1jof n THR 71 N -4.38 0.00 -3.74 -1.15 -2.24 -1.26 -4.79 114.28 96.72 1jof n THR 71 Ca 0.11 -0.29 -0.36 0.00 -2.27 0.00 0.00 64.05 61.24 1jof n THR 71 Cb 0.63 1.20 -0.10 0.00 -2.10 0.00 0.00 70.33 69.96 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 -2.16 2.52 -0.18 -0.78 2.02 -0.71 -5.01 118.70 114.42 1jof s GLU 72 Ca 0.15 -2.57 0.00 0.00 0.02 0.00 0.00 54.97 52.57 1jof s GLU 72 Cb 0.15 -3.69 0.01 0.00 0.10 0.00 0.00 34.13 30.70 1jof s GLU 72 CO 0.49 -1.17 -0.18 0.42 0.02 0.00 0.00 175.26 174.84 1jof s ILE 73 N -0.15 2.29 -0.19 -1.63 1.01 -1.26 -1.08 121.20 120.19 1jof s ILE 73 Ca 0.17 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.96 1jof s ILE 73 Cb -0.21 -1.97 0.02 0.00 0.01 0.00 0.00 42.46 40.32 1jof s ILE 73 CO -0.03 0.52 -0.19 -0.69 0.00 0.00 0.00 174.94 174.56 1jof s VAL 74 N 1.21 2.13 0.11 2.92 1.01 0.16 -4.95 120.40 123.00 1jof s VAL 74 Ca 0.03 -0.97 -0.34 0.00 0.00 0.00 0.00 61.98 60.70 1jof s VAL 74 Cb -0.14 -1.92 -0.13 0.00 0.00 0.00 0.00 36.38 34.19 1jof s VAL 74 CO -0.09 0.49 1.66 1.57 0.00 0.00 0.00 175.10 178.73 1jof n HIS 75 N 4.61 2.34 0.00 5.22 -0.00 -1.26 -1.47 115.22 124.66 1jof n HIS 75 Ca -0.20 0.17 0.00 0.00 0.46 0.00 0.00 57.72 58.15 1jof n HIS 75 Cb 0.49 -2.59 -0.00 0.00 -0.12 0.00 0.00 29.99 27.78 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 4.21 0.82 -3.61 1.57 1.02 -0.29 -4.89 120.64 119.48 1jof n GLU 76 Ca 0.18 -0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.28 1jof n GLU 76 Cb 0.30 -0.95 -0.02 0.00 -0.02 0.00 0.00 31.44 30.75 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 -1.90 -2.10 -0.21 0.62 0.00 -1.11 -4.98 121.76 112.08 1jof s ALA 77 Ca -0.00 1.67 -0.04 0.00 0.00 0.00 0.00 51.96 53.60 1jof s ALA 77 Cb 0.00 -0.22 0.11 0.00 0.00 0.00 0.00 23.12 23.00 1jof s ALA 77 CO 0.01 -0.57 0.28 -1.12 0.00 0.00 0.00 175.76 174.36 1jof s SER 78 N -2.10 0.92 0.16 0.00 0.01 -1.26 -0.36 113.70 111.08 1jof s SER 78 Ca 0.10 -0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.34 1jof s SER 78 Cb -0.01 0.66 -0.04 0.00 0.21 0.00 0.00 66.02 66.84 1jof s SER 78 CO -0.04 -0.31 0.32 -1.00 0.41 0.00 0.00 173.24 172.62 1jof s HIS 79 N 2.41 3.49 0.65 2.43 3.76 -0.16 -4.84 115.29 123.03 1jof s HIS 79 Ca 0.09 0.23 -0.08 0.00 -0.15 0.00 0.00 55.06 55.14 1jof s HIS 79 Cb -0.15 -1.76 0.02 0.00 1.11 0.00 0.00 32.58 31.79 1jof s HIS 79 CO -0.13 0.47 1.00 -1.25 -0.85 0.00 0.00 174.74 173.97 1jof s PRO 80 N -3.18 2.82 0.05 8.40 0.04 -1.26 -0.42 135.00 141.46 1jof s PRO 80 Ca 0.36 0.18 -0.31 0.00 0.04 0.00 0.00 61.00 61.28 1jof s PRO 80 Cb -0.11 -2.15 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 1jof s PRO 80 CO 0.29 -0.90 1.18 0.42 0.04 0.00 0.00 177.00 178.03 1jof s ILE 81 N -3.18 4.09 0.52 0.56 1.01 -1.25 -4.79 121.20 118.16 1jof s ILE 81 Ca 0.56 1.50 0.04 0.00 0.00 0.00 0.00 60.65 62.75 1jof s ILE 81 Cb -0.11 -3.96 0.04 0.00 0.01 0.00 0.00 42.46 38.44 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 1.07 1.86 0.00 6.18 0.00 -1.26 -4.55 107.32 110.62 1jof s GLY 82 Ca 0.58 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.77 1jof s GLY 82 CO 0.29 -1.25 0.00 0.61 0.00 0.00 0.00 173.10 172.75 1jof n GLY 83 N -2.20 0.85 3.76 0.20 0.00 -1.26 -4.87 105.19 101.66 1jof n GLY 83 Ca 0.09 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.62 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 3.09 0.24 1.61 5.65 -1.26 -4.92 115.29 119.70 1jof s HIS 84 Ca 0.00 1.27 -0.06 0.00 0.25 0.00 0.00 55.06 56.53 1jof s HIS 84 Cb 0.00 -3.70 0.44 0.00 -1.18 0.00 0.00 32.58 28.15 1jof s HIS 84 CO 0.00 -2.06 1.68 -1.35 -0.65 0.00 0.00 174.74 172.36 1jof h PRO 85 N 4.24 0.23 0.00 2.88 0.11 -1.94 -2.06 132.00 135.46 1jof h PRO 85 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1jof h PRO 85 Cb 1.22 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1jof h PRO 85 CO 0.71 0.15 0.00 0.54 -0.21 0.00 0.00 178.00 179.19 1jof n ARG 86 N -5.19 0.19 -0.29 1.05 1.74 -1.26 -3.86 116.66 109.04 1jof n ARG 86 Ca 0.13 0.06 0.20 0.00 -0.77 0.00 0.00 57.85 57.48 1jof n ARG 86 Cb 0.45 -1.50 0.48 0.00 -1.02 0.00 0.00 32.46 30.87 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 3.03 2.15 0.00 7.54 0.00 -1.62 -1.38 119.26 128.98 1jof h ALA 87 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1jof h ALA 87 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1jof h ALA 87 CO 0.00 -0.50 -0.68 0.09 0.00 0.00 0.00 179.25 178.16 1jof n ASN 88 N -4.59 0.67 -4.64 0.00 3.02 -1.25 -4.60 115.26 103.88 1jof n ASN 88 Ca 0.22 0.06 -0.45 0.00 -0.03 0.00 0.00 54.58 54.38 1jof n ASN 88 Cb 0.76 0.26 -0.02 0.00 -0.61 0.00 0.00 39.78 40.17 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 -2.06 2.11 0.04 6.41 8.00 -0.52 -4.81 116.55 125.73 1jof n ASP 89 Ca 0.03 1.17 0.08 0.00 0.71 0.00 0.00 54.79 56.77 1jof n ASP 89 Cb 0.43 -1.37 0.33 0.00 -0.02 0.00 0.00 41.12 40.50 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 1.00 1.53 0.96 2.24 0.00 -1.26 -2.42 120.51 122.55 1jof n ALA 90 Ca 0.10 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.67 1jof n ALA 90 Cb 0.32 -1.25 0.28 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 -1.74 2.51 -4.74 0.00 5.68 -1.26 -4.92 116.55 112.08 1jof n ASP 91 Ca 0.02 -1.83 -0.30 0.00 -0.50 0.00 0.00 54.79 52.19 1jof n ASP 91 Cb 0.15 -0.10 -0.07 0.00 -1.14 0.00 0.00 41.12 39.97 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 -1.81 4.30 -2.03 2.12 -4.23 -1.02 -5.02 115.64 107.96 1jof s THR 92 Ca 0.34 -0.92 0.18 0.00 -1.18 0.00 0.00 61.69 60.10 1jof s THR 92 Cb 0.20 -3.08 0.49 0.00 1.34 0.00 0.00 72.50 71.45 1jof s THR 92 CO 0.30 0.08 1.65 -0.46 -0.54 0.00 0.00 174.62 175.65 1jof n ASN 93 N 0.36 0.20 -4.63 3.99 0.23 -1.26 -4.89 115.26 109.25 1jof n ASN 93 Ca -0.09 -1.49 -0.46 0.00 -0.53 0.00 0.00 54.58 52.01 1jof n ASN 93 Cb 0.52 -0.01 -0.03 0.00 -2.08 0.00 0.00 39.78 38.18 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 -0.64 1.21 -3.86 5.53 -1.04 -1.26 -4.70 114.28 109.51 1jof n THR 94 Ca 0.13 -0.30 -0.12 0.00 -2.04 0.00 0.00 64.05 61.72 1jof n THR 94 Cb 0.09 -1.21 -0.13 0.00 -1.82 0.00 0.00 70.33 67.26 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 -0.73 0.08 -0.21 -2.82 3.52 -0.88 -4.79 118.95 113.13 1jof s ARG 95 Ca 0.67 0.02 -0.29 0.00 -0.13 0.00 0.00 55.73 55.99 1jof s ARG 95 Cb -0.71 0.04 -0.03 0.00 -1.56 0.00 0.00 34.95 32.68 1jof s ARG 95 CO 0.53 -0.01 1.62 0.00 -0.81 0.00 0.00 175.30 176.63 1jof s ALA 96 N -0.09 3.29 -0.09 6.12 0.00 -1.26 -0.42 121.76 129.31 1jof s ALA 96 Ca -0.01 0.51 0.06 0.00 0.00 0.00 0.00 51.96 52.51 1jof s ALA 96 Cb -0.01 -3.84 -0.09 0.00 0.00 0.00 0.00 23.12 19.17 1jof s ALA 96 CO 0.00 -1.92 -0.00 1.51 0.00 0.00 0.00 175.76 175.35 1jof n ILE 97 N 6.35 0.58 -3.92 0.00 0.13 -0.70 -4.27 119.36 117.53 1jof n ILE 97 Ca 0.19 -0.32 -0.10 0.00 -1.10 0.00 0.00 62.75 61.42 1jof n ILE 97 Cb 0.45 -0.80 -0.10 0.00 -0.84 0.00 0.00 39.64 38.35 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 -2.20 0.16 -0.06 9.51 5.36 -1.13 -4.67 117.98 124.95 1jof s PHE 98 Ca -0.07 -0.40 -0.07 0.00 -0.96 0.00 0.00 56.93 55.43 1jof s PHE 98 Cb 0.03 -0.12 0.02 0.00 -0.34 0.00 0.00 43.02 42.60 1jof s PHE 98 CO 0.31 -0.32 0.19 -1.17 -1.46 0.00 0.00 175.22 172.77 1jof s LEU 99 N -1.83 1.30 -0.05 6.12 2.96 -1.26 -0.88 118.68 125.03 1jof s LEU 99 Ca -0.09 0.31 0.00 0.00 -0.22 0.00 0.00 54.13 54.14 1jof s LEU 99 Cb -0.04 0.66 0.02 0.00 0.50 0.00 0.00 46.19 47.34 1jof s LEU 99 CO -0.02 -0.11 -0.03 -0.22 -1.32 0.00 0.00 176.35 174.65 1jof s LEU 100 N -0.09 1.14 -0.26 -0.68 2.96 0.81 -4.89 118.68 117.68 1jof s LEU 100 Ca -0.02 -0.12 -0.06 0.00 -0.22 0.00 0.00 54.13 53.71 1jof s LEU 100 Cb -0.02 -0.45 -0.01 0.00 0.50 0.00 0.00 46.19 46.21 1jof s LEU 100 CO 0.00 -0.09 0.05 0.00 -1.32 0.00 0.00 176.35 175.00 1jof s ALA 101 N 1.20 3.05 0.44 5.97 0.00 -1.26 -0.60 121.76 130.56 1jof s ALA 101 Ca -0.07 -1.29 -0.26 0.00 0.00 0.00 0.00 51.96 50.35 1jof s ALA 101 Cb -0.14 -2.04 -0.09 0.00 0.00 0.00 0.00 23.12 20.85 1jof s ALA 101 CO -0.02 -0.68 1.43 0.00 0.00 0.00 0.00 175.76 176.49 1jof n ALA 102 N 4.87 2.03 1.01 0.00 0.00 -0.70 -4.82 120.51 122.90 1jof n ALA 102 Ca -0.16 0.27 0.11 0.00 0.00 0.00 0.00 53.44 53.66 1jof n ALA 102 Cb 0.50 -2.39 0.04 0.00 0.00 0.00 0.00 19.45 17.60 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 -0.06 1.55 -4.35 0.00 5.02 -1.26 -4.49 118.16 114.57 1jof n LYS 103 Ca 0.05 -1.27 -0.25 0.00 -2.02 0.00 0.00 58.31 54.81 1jof n LYS 103 Cb 0.41 -1.47 -0.09 0.00 -0.02 0.00 0.00 35.03 33.85 1jof n LYS 103 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1jof s GLN 104 N -2.33 1.96 0.49 1.97 -1.52 -1.26 -4.92 119.66 114.05 1jof s GLN 104 Ca 0.22 -1.44 -0.22 0.00 -1.95 0.00 0.00 55.36 51.97 1jof s GLN 104 Cb 0.19 -2.03 -0.09 0.00 -0.22 0.00 0.00 33.01 30.86 1jof s GLN 104 CO 0.49 0.39 0.94 -2.30 -0.25 0.00 0.00 175.29 174.55 1jof n PRO 105 N -0.28 1.12 -0.31 2.91 -0.02 -1.26 -1.00 135.00 136.16 1jof n PRO 105 Ca -0.09 0.41 0.01 0.00 -2.02 0.00 0.00 63.50 61.82 1jof n PRO 105 Cb 0.57 -2.03 0.13 0.00 -0.02 0.00 0.00 33.50 32.15 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 -0.19 2.23 -2.74 0.52 -0.04 -1.26 -4.93 135.00 128.59 1jof n PRO 106 Ca 0.11 -1.06 -0.21 0.00 -0.04 0.00 0.00 63.50 62.30 1jof n PRO 106 Cb 0.42 -1.72 0.01 0.00 -0.04 0.00 0.00 33.50 32.17 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 0.18 -1.52 -1.05 0.54 4.02 -0.17 -4.63 117.16 114.54 1jof n TYR 107 Ca 0.10 0.25 -0.30 0.00 -0.01 0.00 0.00 57.90 57.95 1jof n TYR 107 Cb 0.60 -3.97 0.16 0.00 -0.02 0.00 0.00 39.34 36.11 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 -3.04 1.27 -0.09 -0.72 0.00 -1.26 -4.57 121.76 113.34 1jof s ALA 108 Ca 0.16 0.02 0.04 0.00 0.00 0.00 0.00 51.96 52.18 1jof s ALA 108 Cb -0.07 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 1jof s ALA 108 CO 0.20 -2.60 -0.21 0.08 0.00 0.00 0.00 175.76 173.23 1jof s VAL 109 N -2.83 2.41 -0.18 0.00 1.01 -0.30 -1.72 120.40 118.79 1jof s VAL 109 Ca 0.64 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 1jof s VAL 109 Cb -0.20 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 1jof s VAL 109 CO 0.58 0.56 -0.07 -0.31 0.00 0.00 0.00 175.10 175.86 1jof s TYR 110 N 0.08 2.93 0.10 5.22 1.51 0.23 -0.79 117.35 126.64 1jof s TYR 110 Ca -0.09 -0.75 0.08 0.00 -1.01 0.00 0.00 57.07 55.30 1jof s TYR 110 Cb -0.15 -2.01 -0.03 0.00 -0.11 0.00 0.00 41.96 39.65 1jof s TYR 110 CO 0.06 -0.37 -0.20 0.00 -1.11 0.00 0.00 175.55 173.93 1jof s ALA 111 N 0.97 1.75 -0.14 3.71 0.00 0.83 -0.13 121.76 128.75 1jof s ALA 111 Ca -0.01 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.72 1jof s ALA 111 Cb -0.15 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.77 1jof s ALA 111 CO 0.00 0.33 -0.14 -0.80 0.00 0.00 0.00 175.76 175.15 1jof s ASN 112 N -1.96 2.62 0.75 0.00 0.01 -0.06 -0.74 114.94 115.57 1jof s ASN 112 Ca 0.06 -0.47 -0.12 0.00 -0.71 0.00 0.00 52.86 51.63 1jof s ASN 112 Cb -0.10 -1.15 0.04 0.00 0.41 0.00 0.00 41.25 40.46 1jof s ASN 112 CO 0.04 -0.05 1.12 -2.16 -1.51 0.00 0.00 177.10 174.54 1jof s PRO 113 N 1.45 2.44 0.14 -0.60 0.04 -1.26 -1.72 135.00 135.49 1jof s PRO 113 Ca 0.04 0.37 -0.02 0.00 0.04 0.00 0.00 61.00 61.43 1jof s PRO 113 Cb -0.13 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 1jof s PRO 113 CO -0.10 -1.31 0.10 0.12 0.04 0.00 0.00 177.00 175.85 1jof s PHE 114 N -3.40 0.80 0.00 0.56 5.36 0.44 -4.41 117.98 117.33 1jof s PHE 114 Ca 0.60 -1.16 0.00 0.00 -0.96 0.00 0.00 56.93 55.41 1jof s PHE 114 Cb -0.12 -0.41 0.00 0.00 -0.34 0.00 0.00 43.02 42.15 1jof s PHE 114 CO 0.51 -0.56 0.00 0.66 -1.46 0.00 0.00 175.22 174.37 1jof n TYR 115 N -0.12 0.00 -1.67 10.12 4.02 -1.26 -2.06 117.16 126.18 1jof n TYR 115 Ca -0.05 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.52 1jof n TYR 115 Cb 0.64 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 40.00 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 2.95 -1.49 -0.72 1.02 -1.26 -3.82 119.74 116.41 1jof s LYS 116 Ca 0.00 1.07 -0.09 0.00 0.02 0.00 0.00 55.97 56.97 1jof s LYS 116 Cb 0.00 -1.99 0.06 0.00 -0.52 0.00 0.00 37.83 35.39 1jof s LYS 116 CO 0.00 -1.10 0.78 1.19 -0.92 0.00 0.00 175.35 175.30 1jof n PHE 117 N -2.84 -1.99 -1.24 3.18 3.01 -1.26 -4.25 117.46 112.06 1jof n PHE 117 Ca 0.08 0.84 0.08 0.00 1.01 0.00 0.00 57.45 59.46 1jof n PHE 117 Cb 0.53 -3.84 0.18 0.00 -0.01 0.00 0.00 39.48 36.34 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 -4.49 2.87 0.59 4.37 0.00 -1.25 -4.45 120.51 118.15 1jof n ALA 118 Ca -0.09 -2.83 0.00 0.00 0.00 0.00 0.00 53.44 50.52 1jof n ALA 118 Cb 0.58 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1jof n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jof n GLY 119 N -1.24 0.71 3.09 0.00 0.00 -1.26 -4.57 105.19 101.91 1jof n GLY 119 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 1jof n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jof s TYR 120 N -1.08 0.55 0.13 1.61 1.51 -1.26 -1.18 117.35 117.64 1jof s TYR 120 Ca 0.00 -0.93 0.04 0.00 -1.01 0.00 0.00 57.07 55.17 1jof s TYR 120 Cb 0.00 -0.38 -0.04 0.00 -0.11 0.00 0.00 41.96 41.43 1jof s TYR 120 CO 0.00 -0.30 0.13 0.20 -1.11 0.00 0.00 175.55 174.48 1jof s GLY 121 N -2.66 1.85 -0.17 0.71 0.00 0.45 -4.35 107.32 103.15 1jof s GLY 121 Ca 0.04 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.65 1jof s GLY 121 CO -0.07 -1.11 -0.17 -1.31 0.00 0.00 0.00 173.10 170.44 1jof s ASN 122 N -2.83 3.43 -0.13 1.64 0.02 0.08 -2.58 114.94 114.57 1jof s ASN 122 Ca 0.31 -0.55 -0.03 0.00 -1.02 0.00 0.00 52.86 51.57 1jof s ASN 122 Cb -0.11 -1.53 -0.03 0.00 0.02 0.00 0.00 41.25 39.60 1jof s ASN 122 CO 0.24 0.04 -0.04 -0.69 0.02 0.00 0.00 177.10 176.66 1jof s VAL 123 N 1.08 3.89 -0.02 1.60 1.01 0.02 -0.12 120.40 127.86 1jof s VAL 123 Ca -0.00 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.68 1jof s VAL 123 Cb -0.14 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 1jof s VAL 123 CO -0.06 0.52 -0.24 -0.36 0.00 0.00 0.00 175.10 174.97 1jof s PHE 124 N 0.05 2.15 0.54 5.22 0.40 0.03 -1.44 117.98 124.93 1jof s PHE 124 Ca -0.00 -0.43 -0.01 0.00 -0.60 0.00 0.00 56.93 55.89 1jof s PHE 124 Cb -0.13 -1.39 0.02 0.00 0.51 0.00 0.00 43.02 42.03 1jof s PHE 124 CO 0.03 -0.05 0.79 -1.54 0.70 0.00 0.00 175.22 175.14 1jof s SER 125 N -0.51 5.45 0.17 1.36 1.04 -0.26 -1.16 113.70 119.79 1jof s SER 125 Ca 0.08 0.25 0.08 0.00 0.48 0.00 0.00 55.95 56.84 1jof s SER 125 Cb -0.10 -1.24 -0.04 0.00 0.10 0.00 0.00 66.02 64.74 1jof s SER 125 CO -0.00 -1.04 -0.17 0.68 0.98 0.00 0.00 173.24 173.69 1jof s VAL 126 N -2.79 1.73 1.06 5.02 -7.23 -1.26 -0.56 120.40 116.37 1jof s VAL 126 Ca 0.54 -1.97 -0.17 0.00 -1.81 0.00 0.00 61.98 58.57 1jof s VAL 126 Cb -0.10 -1.86 0.23 0.00 0.56 0.00 0.00 36.38 35.21 1jof s VAL 126 CO 0.40 -0.41 1.19 -0.94 -0.31 0.00 0.00 175.10 175.03 1jof s SER 127 N -2.82 2.19 0.64 4.85 1.04 -0.02 -4.78 113.70 114.80 1jof s SER 127 Ca 0.17 0.56 0.38 0.00 0.48 0.00 0.00 55.95 57.53 1jof s SER 127 Cb -0.04 -0.78 2.15 0.00 0.10 0.00 0.00 66.02 67.44 1jof s SER 127 CO 0.06 -3.33 2.29 1.05 0.98 0.00 0.00 173.24 174.30 1jof h GLU 128 N -2.04 0.00 -0.01 4.02 9.09 -2.01 -0.38 114.58 123.25 1jof h GLU 128 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.95 1jof h GLU 128 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 1jof h GLU 128 CO 0.41 0.00 -0.33 0.25 0.05 0.00 0.00 179.01 179.39 1jof n THR 129 N -3.36 0.00 -0.29 -1.06 -2.24 -1.26 -4.95 114.28 101.12 1jof n THR 129 Ca -0.03 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1jof n THR 129 Cb 0.11 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 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 1.37 0.85 3.79 3.38 0.00 -0.15 -4.90 105.19 109.52 1jof n GLY 130 Ca 0.11 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.67 4.48 -0.13 1.61 2.20 -1.26 -4.70 119.74 121.26 1jof s LYS 131 Ca 0.00 1.19 -0.30 0.00 -0.36 0.00 0.00 55.97 56.50 1jof s LYS 131 Cb 0.00 -2.81 -0.07 0.00 -1.51 0.00 0.00 37.83 33.44 1jof s LYS 131 CO 0.00 0.31 2.12 1.28 -0.36 0.00 0.00 175.35 178.70 1jof n LEU 132 N 0.58 3.52 -0.00 5.43 4.77 -1.26 -0.84 117.00 129.20 1jof n LEU 132 Ca 0.01 0.49 -0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1jof n LEU 132 Cb 0.50 -1.52 -0.00 0.00 -2.33 0.00 0.00 43.42 40.07 1jof n LEU 132 CO 0.44 -0.36 -0.02 -0.08 -1.33 0.00 0.00 177.39 176.05 1jof h GLU 133 N 13.10 0.00 -3.25 3.23 4.57 -1.13 -3.46 114.58 127.63 1jof h GLU 133 Ca -0.44 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 57.61 1jof h GLU 133 Cb 1.25 0.00 -0.21 0.00 -0.16 0.00 0.00 28.75 29.62 1jof h GLU 133 CO 0.96 0.00 -0.39 0.21 -1.18 0.00 0.00 179.01 178.60 1jof s LYS 134 N -1.06 0.52 -0.69 1.92 2.20 -1.22 -4.96 119.74 116.44 1jof s LYS 134 Ca -0.01 -0.17 -0.27 0.00 -0.36 0.00 0.00 55.97 55.16 1jof s LYS 134 Cb 0.00 0.23 0.02 0.00 -1.51 0.00 0.00 37.83 36.57 1jof s LYS 134 CO 0.01 -0.12 1.40 1.21 -0.36 0.00 0.00 175.35 177.48 1jof s ASN 135 N -1.06 6.00 0.18 1.43 3.84 -1.26 -1.10 114.94 122.97 1jof s ASN 135 Ca -0.11 -0.22 0.25 0.00 0.21 0.00 0.00 52.86 52.99 1jof s ASN 135 Cb -0.06 -2.55 0.55 0.00 -0.55 0.00 0.00 41.25 38.64 1jof s ASN 135 CO 0.02 -1.92 1.54 -0.37 -2.79 0.00 0.00 177.10 173.59 1jof h VAL 136 N 6.22 0.00 -1.80 -5.21 -1.51 -1.60 -3.47 116.25 108.88 1jof h VAL 136 Ca -0.27 -0.52 0.01 0.00 -1.23 0.00 0.00 66.70 64.69 1jof h VAL 136 Cb 1.07 1.31 -0.23 0.00 -2.13 0.00 0.00 31.29 31.31 1jof h VAL 136 CO 1.26 0.00 0.30 -1.58 -1.23 0.00 0.00 177.57 176.31 1jof s GLN 137 N -3.14 0.69 -0.48 5.19 0.74 -1.18 -5.01 119.66 116.47 1jof s GLN 137 Ca 0.08 0.74 0.03 0.00 0.05 0.00 0.00 55.36 56.27 1jof s GLN 137 Cb 0.12 0.34 0.13 0.00 1.10 0.00 0.00 33.01 34.70 1jof s GLN 137 CO 0.66 -0.10 0.24 -0.80 -0.55 0.00 0.00 175.29 174.74 1jof s ASN 138 N 0.16 4.15 0.19 6.67 0.01 -1.26 -0.80 114.94 124.06 1jof s ASN 138 Ca 0.01 -2.82 -0.22 0.00 -0.71 0.00 0.00 52.86 49.12 1jof s ASN 138 Cb -0.05 -1.45 -0.08 0.00 0.41 0.00 0.00 41.25 40.08 1jof s ASN 138 CO -0.02 -0.25 0.73 -0.72 -1.51 0.00 0.00 177.10 175.33 1jof s TYR 139 N 0.00 3.75 0.15 2.20 -0.85 -1.07 -4.82 117.35 116.72 1jof s TYR 139 Ca 0.17 1.46 -0.04 0.00 -0.52 0.00 0.00 57.07 58.14 1jof s TYR 139 Cb -0.25 -2.66 -0.05 0.00 0.38 0.00 0.00 41.96 39.38 1jof s TYR 139 CO -0.01 0.42 0.37 -1.83 -1.52 0.00 0.00 175.55 172.99 1jof s GLU 140 N -1.60 3.59 0.00 -3.49 -1.05 -1.26 -0.41 118.70 114.48 1jof s GLU 140 Ca 0.39 -0.15 0.00 0.00 -0.15 0.00 0.00 54.97 55.06 1jof s GLU 140 Cb -0.19 -2.85 0.00 0.00 -0.44 0.00 0.00 34.13 30.65 1jof s GLU 140 CO 0.23 0.46 0.00 0.66 0.95 0.00 0.00 175.26 177.55 1jof n TYR 141 N -0.06 0.00 -3.83 4.83 4.02 -0.32 -4.94 117.16 116.86 1jof n TYR 141 Ca -0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.75 1jof n TYR 141 Cb 0.52 0.00 -0.08 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 1.18 0.68 0.51 -0.72 -2.07 -1.25 -5.03 119.66 112.96 1jof s GLN 142 Ca 0.00 -0.53 0.37 0.00 -1.82 0.00 0.00 55.36 53.38 1jof s GLN 142 Cb 0.00 0.29 1.52 0.00 -1.09 0.00 0.00 33.01 33.73 1jof s GLN 142 CO 0.00 -0.19 1.71 1.05 -1.32 0.00 0.00 175.29 176.54 1jof h GLU 143 N 3.58 0.06 0.00 9.60 4.11 -1.98 0.12 114.58 130.08 1jof h GLU 143 Ca -0.32 -0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.02 1jof h GLU 143 Cb 1.19 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1jof h GLU 143 CO 0.46 0.04 -0.43 -0.97 0.07 0.00 0.00 179.01 178.18 1jof h ASN 144 N 0.07 0.00 -3.17 3.06 -1.24 -1.96 -3.40 115.58 108.94 1jof h ASN 144 Ca 0.71 0.00 -0.58 0.00 0.71 0.00 0.00 56.30 57.14 1jof h ASN 144 Cb 2.61 0.00 0.17 0.00 0.73 0.00 0.00 38.32 41.83 1jof h ASN 144 CO -0.12 0.43 -0.20 0.41 -1.29 0.00 0.00 177.43 176.67 1jof n THR 145 N -3.53 2.78 -2.84 -3.57 -1.04 0.42 -4.10 114.28 102.41 1jof n THR 145 Ca -0.00 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.05 61.42 1jof n THR 145 Cb 0.55 -0.85 0.01 0.00 -1.82 0.00 0.00 70.33 68.22 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 1.60 0.13 3.72 3.41 0.00 -1.26 -4.35 105.19 108.44 1jof n GLY 146 Ca 0.12 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 0.59 3.71 -0.24 -0.61 -1.09 -1.26 -1.22 121.20 121.08 1jof s ILE 147 Ca 0.31 1.26 0.02 0.00 -2.23 0.00 0.00 60.65 60.02 1jof s ILE 147 Cb 0.10 -3.81 0.01 0.00 -1.58 0.00 0.00 42.46 37.18 1jof s ILE 147 CO -0.14 0.12 0.51 1.57 -1.23 0.00 0.00 174.94 175.77 1jof n HIS 148 N 3.66 0.00 -3.77 3.97 -0.00 -0.70 -4.75 115.22 113.63 1jof n HIS 148 Ca 0.09 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 58.27 1jof n HIS 148 Cb 0.45 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.32 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 -0.30 -0.22 0.00 1.57 0.00 -1.14 -4.73 107.32 102.50 1jof s GLY 149 Ca 0.02 0.26 0.00 0.00 0.00 0.00 0.00 44.72 45.00 1jof s GLY 149 CO 0.03 1.53 0.00 1.55 0.00 0.00 0.00 173.10 176.22 1jof n VAL 151 N -0.60 0.00 -3.35 1.40 3.14 -0.63 -0.62 118.33 117.67 1jof n VAL 151 Ca -0.05 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.08 1jof n VAL 151 Cb 0.61 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.37 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 -1.49 3.50 0.74 1.45 0.40 -1.26 -0.99 117.98 120.33 1jof s PHE 152 Ca 0.00 0.43 -0.12 0.00 -0.60 0.00 0.00 56.93 56.64 1jof s PHE 152 Cb 0.00 -1.95 0.04 0.00 0.51 0.00 0.00 43.02 41.61 1jof s PHE 152 CO 0.00 0.13 1.11 0.16 0.70 0.00 0.00 175.22 177.32 1jof s ASP 153 N -3.82 5.12 0.56 1.36 1.47 -0.72 -4.87 116.67 115.77 1jof s ASP 153 Ca 0.41 1.10 0.34 0.00 1.18 0.00 0.00 52.55 55.58 1jof s ASP 153 Cb -0.10 -1.83 1.49 0.00 -0.34 0.00 0.00 42.92 42.14 1jof s ASP 153 CO 0.35 -1.55 1.80 -0.65 0.68 0.00 0.00 175.17 175.80 1jof h PRO 154 N -0.80 0.00 0.00 2.11 0.11 -1.85 -0.33 132.00 131.24 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 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1jof h PRO 154 CO 0.63 0.00 -0.36 1.15 -0.21 0.00 0.00 178.00 179.21 1jof h THR 155 N 0.00 0.00 -4.66 -1.15 2.02 -1.95 -3.48 112.91 103.69 1jof h THR 155 Ca 0.48 -0.80 -0.27 0.00 0.77 0.00 0.00 66.41 66.59 1jof h THR 155 Cb 2.06 1.60 0.12 0.00 -1.74 0.00 0.00 68.15 70.18 1jof h THR 155 CO -0.01 0.00 -0.54 -0.62 0.37 0.00 0.00 175.52 174.72 1jof n GLU 156 N -2.65 -5.32 -0.01 6.66 1.02 -0.13 -4.91 120.64 115.29 1jof n GLU 156 Ca 0.03 0.62 0.01 0.00 -0.02 0.00 0.00 57.16 57.81 1jof n GLU 156 Cb 0.50 -5.00 -0.05 0.00 -0.02 0.00 0.00 31.44 26.87 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 -3.74 0.14 -4.36 2.62 -1.04 -1.26 -4.78 114.28 101.86 1jof n THR 157 Ca -0.13 -0.18 -0.20 0.00 -2.04 0.00 0.00 64.05 61.50 1jof n THR 157 Cb 0.59 -0.06 -0.16 0.00 -1.82 0.00 0.00 70.33 68.89 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 -2.34 0.94 -0.16 -1.42 1.51 -1.26 0.07 117.35 114.70 1jof s TYR 158 Ca -0.03 -0.25 -0.01 0.00 -1.01 0.00 0.00 57.07 55.77 1jof s TYR 158 Cb 0.03 -0.70 -0.01 0.00 -0.11 0.00 0.00 41.96 41.17 1jof s TYR 158 CO 0.26 -0.13 -0.12 -1.17 -1.11 0.00 0.00 175.55 173.28 1jof s LEU 159 N 0.37 2.68 -0.11 -1.29 2.96 0.07 -1.75 118.68 121.61 1jof s LEU 159 Ca -0.06 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.46 1jof s LEU 159 Cb -0.10 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 1jof s LEU 159 CO 0.01 0.10 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.77 1jof s TYR 160 N 0.71 2.96 -0.04 5.38 1.51 -0.16 -0.61 117.35 127.10 1jof s TYR 160 Ca -0.06 -0.18 0.06 0.00 -1.01 0.00 0.00 57.07 55.88 1jof s TYR 160 Cb -0.15 -1.83 -0.01 0.00 -0.11 0.00 0.00 41.96 39.85 1jof s TYR 160 CO 0.02 0.12 -0.24 -1.12 -1.11 0.00 0.00 175.55 173.22 1jof s SER 161 N -0.19 2.86 -0.45 2.29 0.01 -0.64 -1.61 113.70 115.98 1jof s SER 161 Ca 0.03 -0.47 -0.20 0.00 1.31 0.00 0.00 55.95 56.62 1jof s SER 161 Cb -0.13 -0.65 0.03 0.00 0.21 0.00 0.00 66.02 65.48 1jof s SER 161 CO 0.03 0.25 0.60 0.00 0.41 0.00 0.00 173.24 174.52 1jof s ALA 162 N -0.25 3.37 -0.56 1.44 0.00 0.21 -1.36 121.76 124.61 1jof s ALA 162 Ca 0.00 -1.43 -0.18 0.00 0.00 0.00 0.00 51.96 50.36 1jof s ALA 162 Cb -0.12 -3.27 0.11 0.00 0.00 0.00 0.00 23.12 19.84 1jof s ALA 162 CO 0.02 -1.81 0.62 0.34 0.00 0.00 0.00 175.76 174.92 1jof s ASP 163 N 2.15 6.19 0.01 0.00 -1.08 0.19 -1.72 116.67 122.41 1jof s ASP 163 Ca 0.18 -1.53 -0.25 0.00 -0.52 0.00 0.00 52.55 50.43 1jof s ASP 163 Cb -0.16 -2.26 -0.17 0.00 -1.46 0.00 0.00 42.92 38.86 1jof s ASP 163 CO 0.16 -1.00 1.32 0.25 0.52 0.00 0.00 175.17 176.42 1jof h LEU 164 N 9.53 -0.24 -0.33 -1.34 6.46 -0.15 -1.05 115.31 128.18 1jof h LEU 164 Ca -0.30 -0.22 -0.08 0.00 -0.12 0.00 0.00 57.88 57.17 1jof h LEU 164 Cb 1.09 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.07 1jof h LEU 164 CO 1.06 0.10 -0.39 0.71 -0.62 0.00 0.00 178.44 179.30 1jof h THR 165 N -0.60 0.74 -0.01 1.05 1.35 -1.85 -3.02 112.91 110.56 1jof h THR 165 Ca -0.03 -1.83 0.00 0.00 -0.55 0.00 0.00 66.41 64.00 1jof h THR 165 Cb 0.44 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 1jof h THR 165 CO 0.05 0.39 -0.16 0.00 -0.25 0.00 0.00 175.52 175.54 1jof n ALA 166 N -2.22 2.88 -3.62 6.62 0.00 -1.24 -4.92 120.51 118.00 1jof n ALA 166 Ca 0.02 -0.48 -0.22 0.00 0.00 0.00 0.00 53.44 52.75 1jof n ALA 166 Cb 0.63 -1.07 0.04 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.05 -2.88 -3.77 0.00 5.15 -0.49 -4.93 115.26 108.27 1jof n ASN 167 Ca 0.15 -0.84 -0.09 0.00 -0.60 0.00 0.00 54.58 53.19 1jof n ASN 167 Cb 0.39 -4.12 -0.04 0.00 -0.53 0.00 0.00 39.78 35.49 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 -5.72 1.72 -0.11 1.20 -2.85 -0.63 -1.25 119.74 112.10 1jof s LYS 168 Ca 0.17 -1.26 0.03 0.00 -1.00 0.00 0.00 55.97 53.91 1jof s LYS 168 Cb -0.04 0.52 -0.00 0.00 -2.06 0.00 0.00 37.83 36.24 1jof s LYS 168 CO 0.81 -0.74 -0.21 -0.51 0.10 0.00 0.00 175.35 174.79 1jof s LEU 169 N -3.02 2.25 0.14 2.77 1.43 0.12 -0.64 118.68 121.73 1jof s LEU 169 Ca 0.20 -0.50 0.05 0.00 -1.03 0.00 0.00 54.13 52.85 1jof s LEU 169 Cb -0.02 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 1jof s LEU 169 CO 0.10 0.16 0.08 0.26 0.23 0.00 0.00 176.35 177.18 1jof s TRP 170 N 0.35 3.08 -0.08 0.29 0.52 -0.46 -1.01 118.94 121.62 1jof s TRP 170 Ca -0.17 -0.02 0.03 0.00 0.02 0.00 0.00 56.10 55.96 1jof s TRP 170 Cb -0.17 -1.51 0.01 0.00 -1.15 0.00 0.00 33.47 30.64 1jof s TRP 170 CO 0.08 0.51 -0.17 0.99 0.02 0.00 0.00 176.95 178.39 1jof s THR 171 N -1.62 1.53 0.11 2.01 2.01 0.83 -1.62 115.64 118.89 1jof s THR 171 Ca 0.29 -0.70 0.07 0.00 0.31 0.00 0.00 61.69 61.66 1jof s THR 171 Cb -0.11 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 1jof s THR 171 CO 0.22 0.44 -0.17 -1.00 -0.69 0.00 0.00 174.62 173.41 1jof s HIS 172 N 0.60 1.58 -0.14 4.92 3.76 0.22 -1.19 115.29 125.04 1jof s HIS 172 Ca -0.15 -0.47 -0.09 0.00 -0.15 0.00 0.00 55.06 54.21 1jof s HIS 172 Cb -0.16 -0.85 -0.04 0.00 1.11 0.00 0.00 32.58 32.64 1jof s HIS 172 CO 0.05 0.18 0.17 -0.98 -0.85 0.00 0.00 174.74 173.30 1jof s ARG 173 N -2.18 3.74 -0.31 1.40 3.03 0.12 -0.75 118.95 123.99 1jof s ARG 173 Ca 0.07 -0.10 -0.14 0.00 2.03 0.00 0.00 55.73 57.59 1jof s ARG 173 Cb -0.08 -3.27 -0.03 0.00 -1.03 0.00 0.00 34.95 30.54 1jof s ARG 173 CO 0.04 0.60 0.31 0.21 -1.13 0.00 0.00 175.30 175.33 1jof s LYS 174 N -0.55 3.75 0.86 3.89 2.20 0.11 -1.24 119.74 128.76 1jof s LYS 174 Ca 0.14 -0.31 -0.12 0.00 -0.36 0.00 0.00 55.97 55.32 1jof s LYS 174 Cb -0.12 -3.74 0.11 0.00 -1.51 0.00 0.00 37.83 32.57 1jof s LYS 174 CO 0.03 -0.38 1.11 -0.51 -0.36 0.00 0.00 175.35 175.24 1jof s LEU 175 N 1.94 2.29 0.52 5.43 1.43 0.12 -4.81 118.68 125.59 1jof s LEU 175 Ca 0.11 1.17 0.18 0.00 -1.03 0.00 0.00 54.13 54.56 1jof s LEU 175 Cb -0.16 -3.63 1.31 0.00 0.03 0.00 0.00 46.19 43.74 1jof s LEU 175 CO 0.11 -2.31 2.14 0.00 0.23 0.00 0.00 176.35 176.52 1jof h ALA 176 N -1.32 1.86 0.00 4.21 0.00 -1.98 -0.41 119.26 121.62 1jof h ALA 176 Ca -0.49 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1jof h ALA 176 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1jof h ALA 176 CO 0.60 0.04 0.00 0.66 0.00 0.00 0.00 179.25 180.55 1jof h SER 177 N 0.00 0.00 0.00 0.00 4.64 -1.97 -3.42 113.55 112.79 1jof h SER 177 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jof h SER 177 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1jof h SER 177 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1jof n GLY 178 N -0.23 2.65 3.80 -0.77 0.00 -0.16 -4.84 105.19 105.65 1jof n GLY 178 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.61 2.55 0.44 1.61 2.02 -1.26 -4.69 118.70 118.77 1jof s GLU 179 Ca 0.00 0.89 0.06 0.00 0.02 0.00 0.00 54.97 55.95 1jof s GLU 179 Cb 0.00 -1.95 -0.04 0.00 0.10 0.00 0.00 34.13 32.24 1jof s GLU 179 CO 0.00 -1.36 0.17 0.14 0.02 0.00 0.00 175.26 174.23 1jof s VAL 180 N -3.05 2.04 -0.19 2.63 -7.23 -1.26 0.12 120.40 113.45 1jof s VAL 180 Ca 0.59 -1.74 -0.12 0.00 -1.81 0.00 0.00 61.98 58.90 1jof s VAL 180 Cb -0.15 -2.78 0.06 0.00 0.56 0.00 0.00 36.38 34.07 1jof s VAL 180 CO 0.55 0.00 0.47 -0.70 -0.31 0.00 0.00 175.10 175.11 1jof s GLU 181 N -3.93 0.48 0.38 4.82 2.12 -0.37 -4.89 118.70 117.30 1jof s GLU 181 Ca 0.35 0.84 -0.28 0.00 0.36 0.00 0.00 54.97 56.24 1jof s GLU 181 Cb 0.03 0.06 -0.11 0.00 0.26 0.00 0.00 34.13 34.37 1jof s GLU 181 CO 0.19 -0.14 1.50 -1.17 -0.54 0.00 0.00 175.26 175.10 1jof s LEU 182 N 1.23 4.31 -0.09 2.70 2.96 -1.26 0.16 118.68 128.69 1jof s LEU 182 Ca -0.08 3.07 -0.04 0.00 -0.22 0.00 0.00 54.13 56.85 1jof s LEU 182 Cb -0.07 -3.67 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 1jof s LEU 182 CO -0.11 -0.89 -0.12 0.52 -1.32 0.00 0.00 176.35 174.43 1jof n VAL 183 N 0.47 0.50 -2.80 1.68 0.31 -0.33 -4.76 118.33 113.40 1jof n VAL 183 Ca 0.01 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1jof n VAL 183 Cb 0.39 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 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 2.46 -1.43 3.43 2.92 0.00 -1.08 -5.00 105.19 106.48 1jof n GLY 184 Ca -0.18 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.23 -0.19 0.00 1.61 1.04 -1.26 -0.12 113.70 111.55 1jof s SER 185 Ca 0.00 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1jof s SER 185 Cb 0.00 0.52 -0.00 0.00 0.10 0.00 0.00 66.02 66.63 1jof s SER 185 CO 0.00 -0.96 -0.01 -0.69 0.98 0.00 0.00 173.24 172.56 1jof s VAL 186 N -3.87 0.04 0.49 5.02 1.01 -0.18 -4.97 120.40 117.94 1jof s VAL 186 Ca 0.09 -0.21 -0.19 0.00 0.00 0.00 0.00 61.98 61.66 1jof s VAL 186 Cb 0.01 -0.08 -0.09 0.00 0.00 0.00 0.00 36.38 36.22 1jof s VAL 186 CO -0.05 -0.11 1.00 -1.81 0.00 0.00 0.00 175.10 174.13 1jof s ASP 187 N -0.34 6.52 0.71 3.32 1.01 -1.26 -0.70 116.67 125.93 1jof s ASP 187 Ca -0.04 1.76 -0.15 0.00 0.71 0.00 0.00 52.55 54.83 1jof s ASP 187 Cb -0.02 -2.54 0.03 0.00 1.01 0.00 0.00 42.92 41.40 1jof s ASP 187 CO -0.00 -0.66 1.21 0.00 0.21 0.00 0.00 175.17 175.93 1jof s ALA 188 N -2.24 2.18 0.30 5.23 0.00 -0.38 -4.82 121.76 122.03 1jof s ALA 188 Ca 0.63 0.90 0.06 0.00 0.00 0.00 0.00 51.96 53.55 1jof s ALA 188 Cb -0.13 -3.47 0.76 0.00 0.00 0.00 0.00 23.12 20.28 1jof s ALA 188 CO 0.22 -1.79 1.74 -1.35 0.00 0.00 0.00 175.76 174.59 1jof h PRO 189 N -0.14 0.59 -6.20 0.00 0.11 -1.94 -3.42 132.00 121.00 1jof h PRO 189 Ca -0.48 -0.04 -0.59 0.00 0.11 0.00 0.00 66.00 65.01 1jof h PRO 189 Cb 1.30 -0.13 -0.24 0.00 0.11 0.00 0.00 31.00 32.03 1jof h PRO 189 CO 0.50 0.39 -0.84 0.34 -0.21 0.00 0.00 178.00 178.18 1jof s ASP 190 N -5.29 2.58 0.55 -2.05 -1.08 -1.26 -5.02 116.67 105.10 1jof s ASP 190 Ca -0.11 -0.59 0.23 0.00 -0.52 0.00 0.00 52.55 51.55 1jof s ASP 190 Cb 0.25 -0.19 1.46 0.00 -1.46 0.00 0.00 42.92 42.99 1jof s ASP 190 CO 0.79 0.14 2.13 -0.65 0.52 0.00 0.00 175.17 178.10 1jof h PRO 191 N 4.56 0.00 -0.33 4.34 0.11 -1.97 -1.70 132.00 137.00 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 0.42 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.62 1jof n GLY 192 N -1.50 0.73 0.18 -0.55 0.00 -1.26 -4.56 105.19 98.24 1jof n GLY 192 Ca 0.00 -0.44 -0.06 0.00 0.00 0.00 0.00 46.02 45.52 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 2.38 -0.35 -4.35 1.61 3.32 -1.65 -2.48 116.42 114.90 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 0.54 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1jof h ASP 193 CO 0.00 -0.04 -0.37 1.41 -1.72 0.00 0.00 179.24 178.52 1jof n HIS 194 N -4.28 -2.17 -1.68 4.55 8.25 -1.26 -1.24 115.22 117.39 1jof n HIS 194 Ca -0.05 0.90 -0.45 0.00 -0.26 0.00 0.00 57.72 57.86 1jof n HIS 194 Cb 0.16 -3.05 -0.03 0.00 1.12 0.00 0.00 29.99 28.19 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 -0.20 2.27 0.00 -0.41 -0.02 -1.26 -0.84 135.00 134.54 1jof n PRO 195 Ca 0.06 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1jof n PRO 195 Cb 0.21 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.12 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 3.07 2.74 -3.81 -0.52 0.63 -0.09 -1.59 116.66 117.09 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 0.31 -0.95 -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 -1.87 0.01 -0.04 -0.14 -0.11 -1.17 -2.88 118.94 112.74 1jof s TRP 197 Ca 0.00 -0.22 -0.03 0.00 1.22 0.00 0.00 56.10 57.07 1jof s TRP 197 Cb 0.00 0.01 0.01 0.00 -1.50 0.00 0.00 33.47 32.00 1jof s TRP 197 CO 0.00 -0.47 0.10 0.14 -4.62 0.00 0.00 176.95 172.10 1jof s VAL 198 N -2.70 -0.01 0.00 5.86 -7.23 -1.26 -0.25 120.40 114.81 1jof s VAL 198 Ca -0.04 0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.15 1jof s VAL 198 Cb -0.00 -0.15 0.00 0.00 0.56 0.00 0.00 36.38 36.79 1jof s VAL 198 CO -0.05 0.01 0.00 0.00 -0.31 0.00 0.00 175.10 174.75 1jof n ALA 199 N 3.16 0.00 -2.63 1.32 0.00 -0.05 -4.54 120.51 117.76 1jof n ALA 199 Ca -0.14 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.10 1jof n ALA 199 Cb 0.58 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.89 1jof n ALA 199 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1jof s HIS 201 N 1.00 1.12 0.54 0.00 2.46 -0.68 -1.05 115.29 118.66 1jof s HIS 201 Ca 0.00 -0.26 0.28 0.00 0.47 0.00 0.00 55.06 55.54 1jof s HIS 201 Cb 0.00 -0.70 1.44 0.00 -0.13 0.00 0.00 32.58 33.19 1jof s HIS 201 CO 0.00 -0.00 1.95 -1.35 -2.47 0.00 0.00 174.74 172.87 1jof h PRO 202 N 5.48 0.00 0.00 2.88 0.11 -1.91 0.64 132.00 139.20 1jof h PRO 202 Ca -0.35 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.72 1jof h PRO 202 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1jof h PRO 202 CO 0.47 0.00 -0.22 1.79 -0.21 0.00 0.00 178.00 179.83 1jof h THR 203 N 0.00 0.47 0.00 -1.15 1.35 -1.91 -3.44 112.91 108.22 1jof h THR 203 Ca 0.30 -1.22 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 1jof h THR 203 Cb 1.24 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 69.54 1jof h THR 203 CO -0.00 0.21 0.00 0.61 -0.25 0.00 0.00 175.52 176.09 1jof n GLY 204 N 0.44 0.76 0.11 5.82 0.00 0.22 -4.94 105.19 107.61 1jof n GLY 204 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 0.32 -4.17 1.61 2.35 -1.83 -3.43 115.58 110.43 1jof h ASN 205 Ca 0.00 -0.31 -0.42 0.00 -0.55 0.00 0.00 56.30 55.02 1jof h ASN 205 Cb 0.00 -0.10 -0.19 0.00 0.05 0.00 0.00 38.32 38.08 1jof h ASN 205 CO 0.00 1.18 -0.77 -0.31 -1.65 0.00 0.00 177.43 175.88 1jof s TYR 206 N -2.92 1.38 0.01 1.19 1.51 -1.26 -0.52 117.35 116.73 1jof s TYR 206 Ca -0.03 -0.52 0.03 0.00 -1.01 0.00 0.00 57.07 55.53 1jof s TYR 206 Cb 0.09 -0.74 -0.01 0.00 -0.11 0.00 0.00 41.96 41.19 1jof s TYR 206 CO 0.85 0.12 -0.08 -1.17 -1.11 0.00 0.00 175.55 174.16 1jof s LEU 207 N -2.24 2.08 -0.15 -1.29 0.20 0.36 -1.69 118.68 115.94 1jof s LEU 207 Ca 0.06 -0.25 0.00 0.00 0.69 0.00 0.00 54.13 54.63 1jof s LEU 207 Cb -0.06 -0.38 -0.00 0.00 -0.43 0.00 0.00 46.19 45.31 1jof s LEU 207 CO 0.03 0.04 -0.15 -0.31 -0.29 0.00 0.00 176.35 175.66 1jof s TYR 208 N -0.47 2.78 -0.25 5.38 1.51 -0.22 -1.03 117.35 125.05 1jof s TYR 208 Ca 0.01 -0.99 -0.04 0.00 -1.01 0.00 0.00 57.07 55.03 1jof s TYR 208 Cb -0.05 -1.88 0.01 0.00 -0.11 0.00 0.00 41.96 39.92 1jof s TYR 208 CO 0.00 -0.44 -0.00 0.00 -1.11 0.00 0.00 175.55 173.99 1jof s ALA 209 N 0.77 2.88 0.74 3.71 0.00 -0.70 -0.87 121.76 128.28 1jof s ALA 209 Ca -0.06 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.56 1jof s ALA 209 Cb -0.15 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.11 1jof s ALA 209 CO 0.01 -0.70 0.00 -0.11 0.00 0.00 0.00 175.76 174.96 1jof n LEU 210 N 4.79 0.00 0.09 0.00 0.00 0.65 -1.56 117.00 120.97 1jof n LEU 210 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.85 1jof n LEU 210 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.91 1jof n LEU 210 CO 0.29 -0.09 -0.03 1.21 0.00 0.00 0.00 177.39 178.77 1jof n GLU 212 N -0.19 0.00 0.15 1.96 2.13 -0.02 -0.91 120.64 123.76 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 -0.24 0.17 0.00 0.27 0.00 0.00 31.44 31.64 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 0.82 0.00 4.31 0.00 -1.34 -1.79 119.26 121.26 1jof h ALA 213 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1jof h ALA 213 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1jof h ALA 213 CO 0.00 0.67 -0.03 0.41 0.00 0.00 0.00 179.25 180.30 1jof n GLY 214 N 0.63 -1.66 3.74 0.00 0.00 -0.66 -4.89 105.19 102.34 1jof n GLY 214 Ca 0.00 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1jof n GLY 214 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jof n ASN 215 N -2.14 -5.17 -3.50 1.61 3.02 -1.12 -4.91 115.26 103.05 1jof n ASN 215 Ca 0.06 -1.06 -0.09 0.00 -0.03 0.00 0.00 54.58 53.45 1jof n ASN 215 Cb 0.42 -3.10 -0.02 0.00 -0.61 0.00 0.00 39.78 36.46 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 -6.21 0.98 -0.20 3.52 1.70 -1.26 -1.69 118.95 115.79 1jof s ARG 216 Ca 0.48 -0.38 -0.07 0.00 -0.47 0.00 0.00 55.73 55.29 1jof s ARG 216 Cb -0.19 0.44 -0.04 0.00 -0.57 0.00 0.00 34.95 34.60 1jof s ARG 216 CO 0.88 -0.43 0.05 0.42 -1.08 0.00 0.00 175.30 175.14 1jof s ILE 217 N -3.31 4.57 -0.11 4.99 -1.09 -0.13 -4.51 121.20 121.61 1jof s ILE 217 Ca 0.05 -0.11 -0.01 0.00 -2.23 0.00 0.00 60.65 58.35 1jof s ILE 217 Cb -0.01 -3.07 -0.03 0.00 -1.58 0.00 0.00 42.46 37.77 1jof s ILE 217 CO -0.09 0.43 -0.07 0.00 -1.23 0.00 0.00 174.94 173.98 1jof s GLU 219 N -0.23 4.27 -0.05 0.00 2.12 -0.28 -1.72 118.70 122.82 1jof s GLU 219 Ca 0.03 0.64 0.03 0.00 0.36 0.00 0.00 54.97 56.02 1jof s GLU 219 Cb -0.13 -3.34 0.01 0.00 0.26 0.00 0.00 34.13 30.93 1jof s GLU 219 CO 0.03 0.37 -0.12 0.71 -0.54 0.00 0.00 175.26 175.71 1jof s TYR 220 N -0.16 1.29 -0.01 5.30 1.51 -0.20 -2.05 117.35 123.03 1jof s TYR 220 Ca 0.29 -0.40 -0.11 0.00 -1.01 0.00 0.00 57.07 55.84 1jof s TYR 220 Cb -0.17 -0.93 -0.05 0.00 -0.11 0.00 0.00 41.96 40.70 1jof s TYR 220 CO 0.15 -0.19 0.33 0.54 -1.11 0.00 0.00 175.55 175.28 1jof s VAL 221 N 0.38 5.18 -0.30 0.71 0.11 0.15 -0.49 120.40 126.14 1jof s VAL 221 Ca -0.08 0.56 -0.21 0.00 -2.93 0.00 0.00 61.98 59.33 1jof s VAL 221 Cb -0.12 -3.62 -0.01 0.00 -1.53 0.00 0.00 36.38 31.10 1jof s VAL 221 CO 0.02 0.52 0.65 -0.63 -3.33 0.00 0.00 175.10 172.32 1jof s ILE 222 N -1.14 4.93 -0.23 7.04 1.01 0.32 -0.31 121.20 132.81 1jof s ILE 222 Ca 0.24 0.91 -0.29 0.00 0.00 0.00 0.00 60.65 61.51 1jof s ILE 222 Cb -0.15 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 1jof s ILE 222 CO 0.12 -0.14 1.72 -0.62 0.00 0.00 0.00 174.94 176.02 1jof s ASP 223 N 1.62 6.21 0.61 3.58 -1.08 -1.26 -4.87 116.67 121.48 1jof s ASP 223 Ca 0.26 1.63 0.37 0.00 -0.52 0.00 0.00 52.55 54.29 1jof s ASP 223 Cb -0.15 -2.53 1.99 0.00 -1.46 0.00 0.00 42.92 40.77 1jof s ASP 223 CO 0.12 -1.40 2.24 1.55 0.52 0.00 0.00 175.17 178.20 1jof h PRO 224 N 11.50 0.00 -0.33 4.34 0.13 -1.95 0.88 132.00 146.57 1jof h PRO 224 Ca -0.35 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.64 1jof h PRO 224 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1jof h PRO 224 CO 1.00 0.02 -0.33 0.00 -0.23 0.00 0.00 178.00 178.46 1jof h ALA 225 N 1.98 0.48 0.00 -0.56 0.00 -2.04 -3.36 119.26 115.75 1jof h ALA 225 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1jof h ALA 225 Cb 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1jof h ALA 225 CO 0.00 0.54 -0.97 0.25 0.00 0.00 0.00 179.25 179.07 1jof n THR 226 N -4.18 0.00 -1.78 0.00 -2.24 -1.02 -5.27 114.28 99.80 1jof n THR 226 Ca -0.03 -0.19 -0.01 0.00 -2.27 0.00 0.00 64.05 61.55 1jof n THR 226 Cb 0.50 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 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 -1.53 -0.60 -5.13 4.78 -0.00 0.30 -5.03 115.22 108.01 1jof n HIS 227 Ca -0.00 0.23 -0.30 0.00 -0.00 0.00 0.00 57.72 57.65 1jof n HIS 227 Cb 0.12 -1.99 -0.16 0.00 -0.00 0.00 0.00 29.99 27.96 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 -2.29 2.38 -0.12 -0.41 0.04 -1.26 -4.77 135.00 128.57 1jof s PRO 229 Ca 0.02 -0.81 0.03 0.00 0.04 0.00 0.00 61.00 60.28 1jof s PRO 229 Cb -0.01 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1jof s PRO 229 CO 0.14 0.31 -0.22 0.08 0.04 0.00 0.00 177.00 177.36 1jof s VAL 230 N -0.03 2.17 0.17 -0.36 1.01 0.58 -4.93 120.40 119.02 1jof s VAL 230 Ca -0.06 -0.96 -0.31 0.00 0.00 0.00 0.00 61.98 60.65 1jof s VAL 230 Cb -0.14 -1.85 -0.09 0.00 0.00 0.00 0.00 36.38 34.30 1jof s VAL 230 CO 0.04 0.55 1.44 -0.47 0.00 0.00 0.00 175.10 176.66 1jof s TYR 231 N 0.57 3.14 -1.86 5.22 5.04 -1.26 -0.67 117.35 127.53 1jof s TYR 231 Ca -0.13 0.91 0.25 0.00 -2.44 0.00 0.00 57.07 55.66 1jof s TYR 231 Cb -0.17 -3.78 0.49 0.00 0.35 0.00 0.00 41.96 38.86 1jof s TYR 231 CO 0.04 -2.70 1.40 0.25 -1.34 0.00 0.00 175.55 173.20 1jof n THR 232 N 3.40 0.00 -0.93 4.34 -2.24 -0.87 -4.91 114.28 113.07 1jof n THR 232 Ca 0.10 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1jof n THR 232 Cb 0.41 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 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 -0.43 0.00 -3.94 4.78 8.25 -1.26 -5.03 115.22 117.59 1jof n HIS 233 Ca 0.11 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.22 1jof n HIS 233 Cb 0.39 -0.02 -0.10 0.00 1.12 0.00 0.00 29.99 31.38 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 3.25 0.05 4.41 3.76 -1.26 -5.04 115.29 118.45 1jof s HIS 234 Ca 0.00 0.05 -0.01 0.00 -0.15 0.00 0.00 55.06 54.96 1jof s HIS 234 Cb 0.00 -2.11 -0.04 0.00 1.11 0.00 0.00 32.58 31.54 1jof s HIS 234 CO 0.00 0.11 -0.03 -1.54 -0.85 0.00 0.00 174.74 172.42 1jof s SER 235 N 0.54 0.52 -0.00 1.40 1.04 -1.26 -1.12 113.70 114.82 1jof s SER 235 Ca 0.04 -0.95 0.02 0.00 0.48 0.00 0.00 55.95 55.54 1jof s SER 235 Cb -0.13 0.18 -0.00 0.00 0.10 0.00 0.00 66.02 66.17 1jof s SER 235 CO 0.01 -0.56 -0.06 -0.36 0.98 0.00 0.00 173.24 173.25 1jof s PHE 236 N -3.63 0.56 0.40 5.02 0.40 -0.13 -4.94 117.98 115.65 1jof s PHE 236 Ca 0.05 -0.11 -0.25 0.00 -0.60 0.00 0.00 56.93 56.02 1jof s PHE 236 Cb 0.06 -0.36 -0.08 0.00 0.51 0.00 0.00 43.02 43.15 1jof s PHE 236 CO -0.09 -0.01 1.20 -1.25 0.70 0.00 0.00 175.22 175.77 1jof s PRO 237 N -0.14 4.03 0.00 0.24 0.04 -1.26 -0.95 135.00 136.94 1jof s PRO 237 Ca 0.02 1.91 0.09 0.00 0.04 0.00 0.00 61.00 63.07 1jof s PRO 237 Cb -0.02 -2.69 0.02 0.00 0.04 0.00 0.00 34.50 31.85 1jof s PRO 237 CO -0.00 -0.37 0.67 1.28 0.04 0.00 0.00 177.00 178.62 1jof n LEU 238 N 0.08 1.36 -4.09 -3.56 4.32 -0.68 -4.85 117.00 109.57 1jof n LEU 238 Ca 0.04 -0.84 -0.11 0.00 -0.02 0.00 0.00 56.01 55.09 1jof n LEU 238 Cb 0.46 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.15 1jof n LEU 238 CO 0.52 0.27 -0.38 0.27 -1.22 0.00 0.00 177.39 176.84 1jof s ILE 239 N -1.14 0.48 0.13 -0.08 -4.36 -1.26 -4.59 121.20 110.38 1jof s ILE 239 Ca 0.09 -1.47 -0.34 0.00 -0.26 0.00 0.00 60.65 58.67 1jof s ILE 239 Cb 0.08 -1.08 -0.13 0.00 1.25 0.00 0.00 42.46 42.57 1jof s ILE 239 CO 0.20 -0.67 1.63 -2.65 0.24 0.00 0.00 174.94 173.69 1jof n PRO 240 N 0.74 2.19 -1.67 0.37 -0.02 -1.26 -4.89 135.00 130.46 1jof n PRO 240 Ca -0.18 0.79 -0.46 0.00 -2.02 0.00 0.00 63.50 61.63 1jof n PRO 240 Cb 0.58 -2.57 -0.04 0.00 -0.02 0.00 0.00 33.50 31.45 1jof n PRO 240 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1jof n PRO 241 N 3.92 2.09 0.00 0.52 -0.02 -1.26 -1.72 135.00 138.53 1jof n PRO 241 Ca 0.18 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 1jof n PRO 241 Cb 0.29 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 1jof n PRO 241 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jof n GLY 242 N 3.09 2.35 3.71 -1.23 0.00 -1.26 -5.02 105.19 106.83 1jof n GLY 242 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1jof n GLY 242 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1jof n ILE 243 N -2.00 1.26 -1.68 -0.61 3.06 -0.70 -4.84 119.36 113.85 1jof n ILE 243 Ca 0.00 -0.31 -0.47 0.00 -2.50 0.00 0.00 62.75 59.46 1jof n ILE 243 Cb 0.00 -1.71 -0.04 0.00 0.54 0.00 0.00 39.64 38.43 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 1.67 2.23 -0.96 9.51 -0.02 -1.26 -4.86 135.00 141.31 1jof n PRO 244 Ca 0.08 0.81 0.04 0.00 -2.02 0.00 0.00 63.50 62.42 1jof n PRO 244 Cb 0.35 -2.65 0.06 0.00 -0.02 0.00 0.00 33.50 31.25 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 5.84 1.04 -4.15 2.55 5.75 -1.26 -4.92 116.55 121.40 1jof n ASP 245 Ca 0.21 -2.48 -0.32 0.00 -0.01 0.00 0.00 54.79 52.19 1jof n ASP 245 Cb 0.30 -0.33 -0.16 0.00 -1.03 0.00 0.00 41.12 39.89 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 -0.91 2.91 -0.31 0.11 0.52 -1.26 -1.36 118.95 118.65 1jof s ARG 246 Ca 0.27 -0.81 -0.29 0.00 -0.52 0.00 0.00 55.73 54.38 1jof s ARG 246 Cb 0.29 -2.38 0.01 0.00 0.52 0.00 0.00 34.95 33.39 1jof s ARG 246 CO -0.09 -0.04 1.16 0.34 0.02 0.00 0.00 175.30 176.68 1jof s ASP 247 N 0.89 6.85 0.00 0.23 -1.08 -0.03 -4.85 116.67 118.68 1jof s ASP 247 Ca -0.06 1.13 0.10 0.00 -0.52 0.00 0.00 52.55 53.20 1jof s ASP 247 Cb -0.15 -2.54 0.61 0.00 -1.46 0.00 0.00 42.92 39.37 1jof s ASP 247 CO -0.03 -0.94 1.07 -0.81 0.52 0.00 0.00 175.17 174.97 1jof n PRO 248 N 7.01 0.54 -1.54 4.34 -0.04 -1.26 0.13 135.00 144.19 1jof n PRO 248 Ca 0.13 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.55 1jof n PRO 248 Cb 0.47 -1.30 0.09 0.00 -0.04 0.00 0.00 33.50 32.73 1jof n PRO 248 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1jof n GLU 249 N -0.80 1.94 0.00 0.54 4.71 -1.26 -4.73 120.64 121.04 1jof n GLU 249 Ca 0.08 -3.36 0.00 0.00 -0.01 0.00 0.00 57.16 53.86 1jof n GLU 249 Cb 0.04 -1.52 0.00 0.00 -1.01 0.00 0.00 31.44 28.94 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 -0.62 0.00 -0.11 2.62 -1.04 -0.88 -4.98 114.28 109.27 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 0.88 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.39 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 -0.40 1.60 3.85 3.41 0.00 0.36 -4.95 105.19 109.06 1jof n GLY 251 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.06 3.28 0.91 1.61 0.00 -1.26 -4.69 119.74 119.55 1jof s LYS 252 Ca 0.00 0.82 -0.12 0.00 0.00 0.00 0.00 55.97 56.67 1jof s LYS 252 Cb 0.00 -2.04 0.14 0.00 0.00 0.00 0.00 37.83 35.93 1jof s LYS 252 CO 0.00 -0.82 1.09 0.20 0.00 0.00 0.00 175.35 175.82 1jof s GLY 253 N -4.03 1.61 -0.01 0.59 0.00 -1.26 -0.85 107.32 103.38 1jof s GLY 253 Ca 0.56 -0.05 0.21 0.00 0.00 0.00 0.00 44.72 45.44 1jof s GLY 253 CO 0.54 0.45 0.81 1.04 0.00 0.00 0.00 173.10 175.94 1jof n LEU 254 N -3.96 0.74 -4.20 0.66 4.77 -0.46 -4.57 117.00 109.98 1jof n LEU 254 Ca 0.07 -0.36 -0.24 0.00 -0.03 0.00 0.00 56.01 55.45 1jof n LEU 254 Cb 0.55 -0.01 -0.14 0.00 -2.33 0.00 0.00 43.42 41.49 1jof n LEU 254 CO 0.55 0.18 -0.50 -0.31 -1.33 0.00 0.00 177.39 175.99 1jof s TYR 255 N -3.13 1.58 -0.16 -1.77 1.51 -1.26 -0.51 117.35 113.61 1jof s TYR 255 Ca 0.04 -0.35 -0.03 0.00 -1.01 0.00 0.00 57.07 55.72 1jof s TYR 255 Cb 0.15 -0.96 0.05 0.00 -0.11 0.00 0.00 41.96 41.10 1jof s TYR 255 CO 0.88 0.05 0.04 1.03 -1.11 0.00 0.00 175.55 176.44 1jof s ARG 256 N -1.03 0.56 0.60 -0.62 0.52 -0.32 -4.75 118.95 113.90 1jof s ARG 256 Ca 0.06 -0.26 -0.20 0.00 -0.52 0.00 0.00 55.73 54.81 1jof s ARG 256 Cb -0.08 -1.82 -0.03 0.00 0.52 0.00 0.00 34.95 33.54 1jof s ARG 256 CO 0.01 -0.57 1.31 0.00 0.02 0.00 0.00 175.30 176.07 1jof n ALA 257 N 5.10 1.30 -1.13 2.13 0.00 -0.69 -1.03 120.51 126.20 1jof n ALA 257 Ca -0.08 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1jof n ALA 257 Cb 0.48 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1jof n ALA 257 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jof n ASP 258 N -1.44 0.00 -4.16 0.00 2.03 0.20 -4.53 116.55 108.65 1jof n ASP 258 Ca 0.13 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 -0.10 0.00 -0.72 0.00 0.00 41.12 40.76 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 0.78 0.00 5.18 1.01 -1.23 -4.64 120.40 121.51 1jof s VAL 259 Ca 0.00 -1.72 0.02 0.00 0.00 0.00 0.00 61.98 60.28 1jof s VAL 259 Cb 0.00 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 1jof s VAL 259 CO 0.00 -0.69 -0.06 0.00 0.00 0.00 0.00 175.10 174.35 1jof s ALA 261 N -0.37 -1.46 0.40 0.00 0.00 0.31 -4.71 121.76 115.94 1jof s ALA 261 Ca -0.00 1.70 -0.17 0.00 0.00 0.00 0.00 51.96 53.49 1jof s ALA 261 Cb -0.04 -0.99 -0.09 0.00 0.00 0.00 0.00 23.12 22.00 1jof s ALA 261 CO -0.00 -0.28 0.86 -0.51 0.00 0.00 0.00 175.76 175.83 1jof s LEU 262 N 0.44 3.92 0.69 0.00 1.02 -1.26 -1.32 118.68 122.17 1jof s LEU 262 Ca -0.01 1.47 -0.08 0.00 0.02 0.00 0.00 54.13 55.53 1jof s LEU 262 Cb -0.04 -4.32 0.04 0.00 0.02 0.00 0.00 46.19 41.89 1jof s LEU 262 CO -0.01 -0.34 1.02 0.42 0.02 0.00 0.00 176.35 177.46 1jof s THR 263 N -2.20 2.81 0.24 5.49 -4.23 -0.61 -4.82 115.64 112.33 1jof s THR 263 Ca 0.58 -0.03 -0.10 0.00 -1.18 0.00 0.00 61.69 60.96 1jof s THR 263 Cb -0.10 -3.20 0.32 0.00 1.34 0.00 0.00 72.50 70.86 1jof s THR 263 CO 0.19 -0.23 1.60 0.15 -0.54 0.00 0.00 174.62 175.79 1jof h PHE 264 N -0.56 -0.35 0.00 3.99 3.57 -1.80 -0.57 116.94 121.22 1jof h PHE 264 Ca -0.45 0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.09 1jof h PHE 264 Cb 1.29 0.28 -0.00 0.00 2.79 0.00 0.00 35.95 40.30 1jof h PHE 264 CO 0.40 -0.33 -0.15 0.66 -2.23 0.00 0.00 178.31 176.66 1jof h SER 265 N 0.01 0.00 0.00 0.41 4.64 -1.92 -3.46 113.55 113.23 1jof h SER 265 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1jof h SER 265 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1jof h SER 265 CO -0.79 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 175.93 1jof n GLY 266 N -0.00 1.08 0.18 -0.77 0.00 -0.22 -4.89 105.19 100.55 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 3.55 0.00 0.00 1.61 1.57 -1.86 -3.44 116.57 118.01 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 -3.10 0.00 -3.66 -1.35 4.02 -1.26 -0.03 117.16 111.78 1jof n TYR 268 Ca 0.02 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.76 1jof n TYR 268 Cb 0.62 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.86 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 -0.05 -0.37 0.16 -0.72 2.99 -0.43 -1.57 117.98 117.99 1jof s PHE 270 Ca 0.00 0.60 -0.09 0.00 0.00 0.00 0.00 56.93 57.44 1jof s PHE 270 Cb 0.00 0.23 -0.01 0.00 0.00 0.00 0.00 43.02 43.24 1jof s PHE 270 CO 0.00 -0.49 0.28 0.00 -0.00 0.00 0.00 175.22 175.01 1jof s ALA 271 N -1.38 0.03 0.22 5.36 0.00 0.12 -0.53 121.76 125.59 1jof s ALA 271 Ca -0.12 -0.91 -0.15 0.00 0.00 0.00 0.00 51.96 50.79 1jof s ALA 271 Cb -0.03 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.97 1jof s ALA 271 CO 0.06 -0.64 0.49 -1.54 0.00 0.00 0.00 175.76 174.12 1jof s SER 272 N -2.97 -0.15 0.03 0.00 1.04 -0.40 0.07 113.70 111.33 1jof s SER 272 Ca 0.18 -0.73 -0.13 0.00 0.48 0.00 0.00 55.95 55.74 1jof s SER 272 Cb 0.03 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.75 1jof s SER 272 CO 0.00 -1.09 0.28 -0.94 0.98 0.00 0.00 173.24 172.47 1jof s SER 273 N -2.95 -0.10 0.28 7.02 1.04 -0.30 0.62 113.70 119.31 1jof s SER 273 Ca 0.16 -0.18 0.11 0.00 0.48 0.00 0.00 55.95 56.52 1jof s SER 273 Cb -0.01 0.33 -0.05 0.00 0.10 0.00 0.00 66.02 66.40 1jof s SER 273 CO 0.03 -0.57 -0.12 0.00 0.98 0.00 0.00 173.24 173.55 1jof s ARG 274 N -2.34 1.89 0.15 4.02 1.70 -0.20 -1.11 118.95 123.06 1jof s ARG 274 Ca -0.06 -1.68 0.01 0.00 -0.47 0.00 0.00 55.73 53.53 1jof s ARG 274 Cb -0.02 -1.89 -0.04 0.00 -0.57 0.00 0.00 34.95 32.44 1jof s ARG 274 CO -0.02 0.31 0.30 0.00 -1.08 0.00 0.00 175.30 174.82 1jof s ALA 275 N -2.47 3.94 -2.47 7.88 0.00 0.01 -1.17 121.76 127.47 1jof s ALA 275 Ca 0.31 -0.95 0.27 0.00 0.00 0.00 0.00 51.96 51.58 1jof s ALA 275 Cb -0.05 -1.85 1.00 0.00 0.00 0.00 0.00 23.12 22.23 1jof s ALA 275 CO 0.17 0.54 1.71 0.09 0.00 0.00 0.00 175.76 178.27 1jof n ASN 276 N -0.48 1.54 -4.08 0.00 3.02 0.33 -4.49 115.26 111.11 1jof n ASN 276 Ca -0.06 -1.54 -0.22 0.00 -0.03 0.00 0.00 54.58 52.73 1jof n ASN 276 Cb 0.54 -0.02 -0.15 0.00 -0.61 0.00 0.00 39.78 39.54 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 -1.97 1.12 0.58 3.52 1.02 -1.26 -5.04 119.74 117.71 1jof s LYS 277 Ca 0.37 -0.46 0.34 0.00 0.02 0.00 0.00 55.97 56.25 1jof s LYS 277 Cb 0.20 -1.06 1.80 0.00 -0.52 0.00 0.00 37.83 38.26 1jof s LYS 277 CO 0.32 0.25 2.18 0.74 -0.92 0.00 0.00 175.35 177.93 1jof h PHE 278 N 5.95 0.00 -0.00 3.18 -1.00 -1.98 -1.67 116.94 121.42 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 0.41 0.04 -0.10 -0.85 -1.61 0.00 0.00 178.31 176.21 1jof n GLU 279 N -3.39 0.57 -3.95 1.51 0.00 -1.26 -4.52 120.64 109.59 1jof n GLU 279 Ca -0.02 -0.16 -0.27 0.00 0.00 0.00 0.00 57.16 56.72 1jof n GLU 279 Cb 0.18 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.09 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 -2.54 4.30 0.14 -1.84 1.43 -0.63 -5.04 118.68 114.50 1jof s LEU 280 Ca 0.27 0.16 -0.10 0.00 -1.03 0.00 0.00 54.13 53.44 1jof s LEU 280 Cb 0.20 -2.88 -0.06 0.00 0.03 0.00 0.00 46.19 43.48 1jof s LEU 280 CO 0.48 0.07 0.46 -1.10 0.23 0.00 0.00 176.35 176.49 1jof s GLN 281 N -3.14 3.79 0.36 1.70 -0.21 -1.26 -3.04 119.66 117.85 1jof s GLN 281 Ca 0.34 0.21 -0.02 0.00 0.02 0.00 0.00 55.36 55.92 1jof s GLN 281 Cb -0.11 -2.88 0.08 0.00 1.00 0.00 0.00 33.01 31.10 1jof s GLN 281 CO 0.28 0.47 0.50 0.41 -2.12 0.00 0.00 175.29 174.83 1jof n GLY 282 N 0.50 0.32 3.06 3.09 0.00 -0.53 -4.48 105.19 107.16 1jof n GLY 282 Ca -0.05 -1.93 -0.08 0.00 0.00 0.00 0.00 46.02 43.96 1jof n GLY 282 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jof s TYR 283 N -1.52 0.49 -0.01 1.61 1.51 -0.26 -0.85 117.35 118.31 1jof s TYR 283 Ca 0.32 -0.84 0.05 0.00 -1.01 0.00 0.00 57.07 55.59 1jof s TYR 283 Cb -0.02 -0.34 -0.01 0.00 -0.11 0.00 0.00 41.96 41.48 1jof s TYR 283 CO 0.21 -0.27 -0.15 -1.50 -1.11 0.00 0.00 175.55 172.73 1jof s ILE 284 N -2.90 1.22 0.10 2.71 2.07 -0.17 -1.15 121.20 123.08 1jof s ILE 284 Ca -0.01 -0.66 0.04 0.00 -1.41 0.00 0.00 60.65 58.60 1jof s ILE 284 Cb 0.01 -1.02 -0.04 0.00 0.13 0.00 0.00 42.46 41.54 1jof s ILE 284 CO -0.06 0.35 -0.10 0.00 -1.91 0.00 0.00 174.94 173.22 1jof s ALA 285 N -0.36 1.15 0.01 1.50 0.00 0.11 -1.46 121.76 122.71 1jof s ALA 285 Ca 0.06 -1.23 0.04 0.00 0.00 0.00 0.00 51.96 50.83 1jof s ALA 285 Cb -0.06 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 1jof s ALA 285 CO -0.01 -0.05 -0.13 0.20 0.00 0.00 0.00 175.76 175.77 1jof s GLY 286 N -2.56 0.67 0.06 0.00 0.00 -0.74 -0.71 107.32 104.04 1jof s GLY 286 Ca 0.07 -0.63 0.04 0.00 0.00 0.00 0.00 44.72 44.19 1jof s GLY 286 CO -0.00 -0.56 -0.11 -1.36 0.00 0.00 0.00 173.10 171.06 1jof s PHE 287 N -0.48 0.95 -0.12 1.90 0.40 -1.26 -0.12 117.98 119.25 1jof s PHE 287 Ca 0.04 -0.47 -0.03 0.00 -0.60 0.00 0.00 56.93 55.87 1jof s PHE 287 Cb -0.06 -0.55 -0.03 0.00 0.51 0.00 0.00 43.02 42.89 1jof s PHE 287 CO 0.00 -0.01 -0.00 0.21 0.70 0.00 0.00 175.22 176.12 1jof s LYS 288 N -1.62 3.33 -0.11 0.44 2.20 -0.80 -4.32 119.74 118.87 1jof s LYS 288 Ca -0.06 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.13 1jof s LYS 288 Cb -0.10 -2.89 -0.02 0.00 -1.51 0.00 0.00 37.83 33.31 1jof s LYS 288 CO 0.01 0.51 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.89 1jof s LEU 289 N -0.34 2.84 0.77 5.43 1.43 0.96 -0.26 118.68 129.52 1jof s LEU 289 Ca 0.07 -0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 1jof s LEU 289 Cb -0.12 -1.63 0.06 0.00 0.03 0.00 0.00 46.19 44.53 1jof s LEU 289 CO 0.02 0.23 1.11 -0.13 0.23 0.00 0.00 176.35 177.81 1jof s ARG 290 N -0.04 2.15 0.57 1.70 0.52 -0.11 -4.76 118.95 118.98 1jof s ARG 290 Ca -0.02 1.29 0.29 0.00 -0.52 0.00 0.00 55.73 56.76 1jof s ARG 290 Cb -0.14 -1.88 1.71 0.00 0.52 0.00 0.00 34.95 35.16 1jof s ARG 290 CO 0.04 -1.74 2.20 -0.44 0.02 0.00 0.00 175.30 175.38 1jof h ASP 291 N -1.02 0.00 1.29 0.23 3.32 -1.95 -0.69 116.42 117.60 1jof h ASP 291 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1jof h ASP 291 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1jof h ASP 291 CO 0.50 0.03 -0.11 0.00 -1.72 0.00 0.00 179.24 177.95 1jof n GLY 293 N 1.34 1.53 3.74 0.00 0.00 -0.27 -4.59 105.19 106.95 1jof n GLY 293 Ca 0.05 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 -1.31 4.21 -0.34 1.61 1.04 -1.26 -4.66 113.70 112.99 1jof s SER 294 Ca 0.00 2.00 -0.26 0.00 0.48 0.00 0.00 55.95 58.17 1jof s SER 294 Cb 0.00 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.59 1jof s SER 294 CO 0.00 -2.24 0.94 -0.63 0.98 0.00 0.00 173.24 172.29 1jof s ILE 295 N -2.63 4.61 -0.01 -1.02 1.01 -1.26 -0.93 121.20 120.96 1jof s ILE 295 Ca 0.65 1.33 -0.25 0.00 0.00 0.00 0.00 60.65 62.38 1jof s ILE 295 Cb -0.20 -4.32 -0.19 0.00 0.01 0.00 0.00 42.46 37.76 1jof s ILE 295 CO 0.52 -0.47 1.29 -0.08 0.00 0.00 0.00 174.94 176.21 1jof h GLU 296 N 8.31 -0.06 -2.41 2.79 4.81 -0.95 -3.47 114.58 123.61 1jof h GLU 296 Ca -0.23 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.14 1jof h GLU 296 Cb 1.08 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 30.36 1jof h GLU 296 CO 0.98 0.36 0.45 -1.59 -0.73 0.00 0.00 179.01 178.47 1jof s LYS 297 N -4.47 1.11 -0.26 1.92 -2.85 -1.20 -5.01 119.74 108.98 1jof s LYS 297 Ca -0.15 -0.54 -0.15 0.00 -1.00 0.00 0.00 55.97 54.12 1jof s LYS 297 Cb 0.02 0.42 -0.04 0.00 -2.06 0.00 0.00 37.83 36.18 1jof s LYS 297 CO 0.65 -0.50 0.40 -1.14 0.10 0.00 0.00 175.35 174.86 1jof s GLN 298 N -3.30 4.05 0.06 1.78 0.74 -1.26 -1.90 119.66 119.84 1jof s GLN 298 Ca 0.09 0.11 -0.10 0.00 0.05 0.00 0.00 55.36 55.51 1jof s GLN 298 Cb -0.01 -3.64 -0.29 0.00 1.10 0.00 0.00 33.01 30.17 1jof s GLN 298 CO -0.03 -0.25 1.11 -0.07 -0.55 0.00 0.00 175.29 175.51 1jof h LEU 299 N 8.47 0.64 -7.06 3.68 3.38 -0.86 -3.49 115.31 120.07 1jof h LEU 299 Ca -0.32 -0.65 0.04 0.00 0.09 0.00 0.00 57.88 57.04 1jof h LEU 299 Cb 1.16 -0.21 -0.13 0.00 0.09 0.00 0.00 40.66 41.57 1jof h LEU 299 CO 0.67 1.49 0.32 0.72 0.09 0.00 0.00 178.44 181.73 1jof s PHE 300 N -2.76 -0.44 -0.26 1.13 -0.12 -1.18 -4.96 117.98 109.40 1jof s PHE 300 Ca -0.07 0.25 -0.01 0.00 -0.05 0.00 0.00 56.93 57.05 1jof s PHE 300 Cb 0.06 0.56 0.13 0.00 -0.63 0.00 0.00 43.02 43.14 1jof s PHE 300 CO 0.91 -0.75 0.33 -1.17 -0.05 0.00 0.00 175.22 174.48 1jof s LEU 301 N -2.66 -0.43 0.08 -1.99 2.96 -1.26 -1.80 118.68 113.58 1jof s LEU 301 Ca 0.03 -0.28 0.05 0.00 -0.22 0.00 0.00 54.13 53.71 1jof s LEU 301 Cb -0.01 0.78 -0.03 0.00 0.50 0.00 0.00 46.19 47.42 1jof s LEU 301 CO -0.10 -0.34 -0.13 -0.44 -1.32 0.00 0.00 176.35 174.02 1jof s SER 302 N 2.44 1.61 0.48 3.68 0.01 -0.53 -4.97 113.70 116.42 1jof s SER 302 Ca 0.10 -0.69 -0.23 0.00 1.31 0.00 0.00 55.95 56.44 1jof s SER 302 Cb -0.14 -0.03 -0.07 0.00 0.21 0.00 0.00 66.02 65.99 1jof s SER 302 CO -0.23 -0.14 1.25 -2.84 0.41 0.00 0.00 173.24 171.68 1jof s PRO 303 N -2.13 3.58 0.28 12.44 0.02 -1.26 -1.00 135.00 146.93 1jof s PRO 303 Ca 0.01 1.97 0.05 0.00 0.02 0.00 0.00 61.00 63.05 1jof s PRO 303 Cb -0.07 -2.40 -0.02 0.00 0.02 0.00 0.00 34.50 32.02 1jof s PRO 303 CO 0.02 -0.76 0.42 0.95 -0.33 0.00 0.00 177.00 177.30 1jof s THR 304 N -1.43 4.87 0.28 0.99 -4.23 -0.03 -4.78 115.64 111.32 1jof s THR 304 Ca 0.65 -0.93 0.01 0.00 -1.18 0.00 0.00 61.69 60.24 1jof s THR 304 Cb -0.34 -3.72 0.28 0.00 1.34 0.00 0.00 72.50 70.06 1jof s THR 304 CO 0.41 -0.30 1.85 -0.65 -0.54 0.00 0.00 174.62 175.39 1jof h PRO 305 N 1.03 1.01 0.00 3.99 0.11 -1.96 -3.38 132.00 132.80 1jof h PRO 305 Ca -0.50 -0.06 -0.54 0.00 0.11 0.00 0.00 66.00 65.01 1jof h PRO 305 Cb 1.24 -0.23 -0.10 0.00 0.11 0.00 0.00 31.00 32.01 1jof h PRO 305 CO 0.59 0.67 -0.40 0.25 -0.21 0.00 0.00 178.00 178.89 1jof n THR 306 N -4.58 0.00 0.38 -1.15 -2.24 -1.26 -4.94 114.28 100.49 1jof n THR 306 Ca 0.18 -2.01 0.13 0.00 -2.27 0.00 0.00 64.05 60.07 1jof n THR 306 Cb 0.30 0.46 0.53 0.00 -2.10 0.00 0.00 70.33 69.52 1jof n THR 306 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1jof h SER 307 N 1.08 0.00 0.00 3.42 4.64 -1.77 -1.39 113.55 119.53 1jof h SER 307 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1jof h SER 307 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1jof h SER 307 CO 0.56 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.13 1jof n GLY 308 N -0.01 2.97 7.00 -0.77 0.00 -1.26 -0.81 105.19 112.31 1jof n GLY 308 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 3.03 0.20 -0.02 0.00 -1.26 -1.08 105.19 104.05 1jof n GLY 309 Ca 0.00 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 13.68 0.00 0.00 1.61 8.25 -1.26 -4.73 115.22 132.77 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 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 30.99 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 -0.69 0.00 -0.76 0.41 2.88 -0.24 -4.96 113.62 110.26 1jof n SER 311 Ca 0.16 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.63 1jof n SER 311 Cb 0.29 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.74 1jof n SER 311 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1jof n ASN 312 N 0.00 -2.97 -4.70 -3.46 5.15 0.46 -4.70 115.26 105.05 1jof n ASN 312 Ca 0.00 0.04 -0.42 0.00 -0.60 0.00 0.00 54.58 53.59 1jof n ASN 312 Cb 0.00 -2.02 -0.03 0.00 -0.53 0.00 0.00 39.78 37.20 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 -2.34 3.45 0.05 5.20 0.00 -1.19 -4.72 121.76 122.21 1jof s ALA 313 Ca 0.00 0.78 -0.09 0.00 0.00 0.00 0.00 51.96 52.64 1jof s ALA 313 Cb 0.00 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1jof s ALA 313 CO 0.00 -0.61 0.36 0.14 0.00 0.00 0.00 175.76 175.65 1jof s VAL 314 N 1.63 5.16 -0.32 0.00 -7.23 -1.26 -2.76 120.40 115.62 1jof s VAL 314 Ca 0.58 0.40 -0.02 0.00 -1.81 0.00 0.00 61.98 61.14 1jof s VAL 314 Cb -0.28 -3.62 0.12 0.00 0.56 0.00 0.00 36.38 33.16 1jof s VAL 314 CO 0.26 0.35 0.19 -0.55 -0.31 0.00 0.00 175.10 175.04 1jof s SER 315 N -1.66 3.02 0.50 4.85 0.15 0.10 -4.86 113.70 115.80 1jof s SER 315 Ca 0.30 -1.62 -0.23 0.00 0.70 0.00 0.00 55.95 55.10 1jof s SER 315 Cb -0.14 -0.24 -0.06 0.00 -1.71 0.00 0.00 66.02 63.86 1jof s SER 315 CO 0.17 -0.37 1.29 -2.84 1.20 0.00 0.00 173.24 172.68 1jof s PRO 316 N 1.67 3.47 0.15 5.44 0.02 -1.26 -1.43 135.00 143.06 1jof s PRO 316 Ca 0.13 2.07 -0.31 0.00 0.02 0.00 0.00 61.00 62.91 1jof s PRO 316 Cb -0.19 -2.38 -0.09 0.00 0.02 0.00 0.00 34.50 31.86 1jof s PRO 316 CO -0.20 -0.88 1.51 0.00 -0.33 0.00 0.00 177.00 177.10 1jof h PRO 318 N 6.80 0.00 -0.01 0.00 0.11 -1.92 -3.15 132.00 133.84 1jof h PRO 318 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1jof h PRO 318 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1jof h PRO 318 CO 0.90 0.00 -0.09 0.91 -0.21 0.00 0.00 178.00 179.51 1jof n TRP 319 N -2.60 0.00 -3.68 0.65 8.01 -1.26 -4.61 117.44 113.94 1jof n TRP 319 Ca 0.00 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 56.07 1jof n TRP 319 Cb 0.19 0.00 -0.09 0.00 -2.01 0.00 0.00 31.31 29.41 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 -0.94 -0.61 0.55 -0.99 0.15 -1.19 -4.98 113.70 105.70 1jof s SER 320 Ca 0.08 1.13 0.35 0.00 0.70 0.00 0.00 55.95 58.22 1jof s SER 320 Cb 0.07 1.12 1.59 0.00 -1.71 0.00 0.00 66.02 67.08 1jof s SER 320 CO 0.15 -0.20 2.05 0.44 1.20 0.00 0.00 173.24 176.88 1jof h ASP 321 N 5.64 0.00 -0.10 5.45 5.19 -1.95 -3.32 116.42 127.33 1jof h ASP 321 Ca -0.29 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.11 1jof h ASP 321 Cb 1.18 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.68 1jof h ASP 321 CO 0.17 0.00 0.05 -0.08 -3.12 0.00 0.00 179.24 176.26 1jof h GLU 322 N 0.00 0.17 0.00 3.56 4.81 -1.92 -3.40 114.58 117.80 1jof h GLU 322 Ca 0.00 -0.01 -0.36 0.00 -0.13 0.00 0.00 59.36 58.85 1jof h GLU 322 Cb 0.37 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.64 1jof h GLU 322 CO 0.00 0.15 -0.26 0.91 -0.73 0.00 0.00 179.01 179.07 1jof n TRP 323 N -4.48 0.64 -3.66 0.92 7.02 -1.25 -0.59 117.44 116.04 1jof n TRP 323 Ca -0.01 -1.38 -0.12 0.00 -1.02 0.00 0.00 57.50 54.96 1jof n TRP 323 Cb 0.11 -0.18 -0.06 0.00 -2.42 0.00 0.00 31.31 28.76 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 -2.48 -0.98 -0.05 6.99 0.00 -0.51 -1.39 121.76 123.32 1jof s ALA 325 Ca 0.00 0.22 -0.08 0.00 0.00 0.00 0.00 51.96 52.11 1jof s ALA 325 Cb 0.00 0.42 0.02 0.00 0.00 0.00 0.00 23.12 23.56 1jof s ALA 325 CO 0.00 -0.50 0.19 -1.50 0.00 0.00 0.00 175.76 173.96 1jof s ILE 326 N -2.77 0.02 0.16 0.00 2.07 -0.58 0.02 121.20 120.11 1jof s ILE 326 Ca -0.03 -0.18 0.10 0.00 -1.41 0.00 0.00 60.65 59.12 1jof s ILE 326 Cb -0.00 -0.34 -0.04 0.00 0.13 0.00 0.00 42.46 42.21 1jof s ILE 326 CO -0.05 -0.10 -0.21 0.42 -1.91 0.00 0.00 174.94 173.09 1jof s THR 327 N -0.30 2.01 0.03 4.00 -4.23 -1.11 -1.65 115.64 114.38 1jof s THR 327 Ca -0.04 -1.88 -0.03 0.00 -1.18 0.00 0.00 61.69 58.55 1jof s THR 327 Cb -0.03 -1.90 -0.02 0.00 1.34 0.00 0.00 72.50 71.89 1jof s THR 327 CO 0.01 -0.18 0.04 1.51 -0.54 0.00 0.00 174.62 175.46 1jof s ASP 328 N -2.50 0.23 -0.19 3.99 -4.77 -1.11 -0.40 116.67 111.91 1jof s ASP 328 Ca 0.16 -0.55 0.13 0.00 -3.30 0.00 0.00 52.55 48.98 1jof s ASP 328 Cb -0.07 0.18 0.39 0.00 -1.09 0.00 0.00 42.92 42.33 1jof s ASP 328 CO 0.07 -0.44 1.20 -0.90 0.70 0.00 0.00 175.17 175.81 1jof n ASP 329 N 1.01 1.82 -0.07 2.11 5.75 -1.17 -3.43 116.55 122.57 1jof n ASP 329 Ca -0.20 -3.69 -0.22 0.00 -0.01 0.00 0.00 54.79 50.67 1jof n ASP 329 Cb 0.57 -0.50 -0.12 0.00 -1.03 0.00 0.00 41.12 40.04 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 0.79 0.07 0.00 0.11 4.15 -1.83 -3.42 115.11 114.98 1jof h GLN 330 Ca -0.01 -0.12 -0.04 0.00 0.77 0.00 0.00 58.65 59.26 1jof h GLN 330 Cb 1.02 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.75 1jof h GLN 330 CO 0.00 1.06 -1.25 0.39 -1.93 0.00 0.00 178.83 177.10 1jof n GLU 331 N -4.21 1.83 -0.55 1.69 1.02 -1.26 -5.06 120.64 114.10 1jof n GLU 331 Ca -0.31 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 56.81 1jof n GLU 331 Cb 0.77 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 31.08 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 2.51 1.14 3.90 0.62 0.00 -1.22 -4.72 105.19 107.42 1jof n GLY 332 Ca -0.04 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.17 3.49 -0.25 1.61 0.52 -1.24 -0.94 118.94 119.95 1jof s TRP 333 Ca 0.00 0.50 0.01 0.00 0.02 0.00 0.00 56.10 56.62 1jof s TRP 333 Cb 0.00 -1.96 0.04 0.00 -1.15 0.00 0.00 33.47 30.41 1jof s TRP 333 CO 0.00 0.47 -0.10 -1.17 0.02 0.00 0.00 176.95 176.18 1jof s LEU 334 N -2.58 3.21 0.08 2.99 1.98 -0.47 -2.76 118.68 121.12 1jof s LEU 334 Ca 0.39 -1.10 0.07 0.00 -2.89 0.00 0.00 54.13 50.60 1jof s LEU 334 Cb -0.12 -1.59 -0.04 0.00 0.66 0.00 0.00 46.19 45.09 1jof s LEU 334 CO 0.25 -0.15 -0.12 -1.61 -1.89 0.00 0.00 176.35 172.83 1jof s GLU 335 N 1.22 2.17 -0.12 1.98 2.02 -0.66 -1.57 118.70 123.74 1jof s GLU 335 Ca -0.03 -0.97 0.01 0.00 0.02 0.00 0.00 54.97 54.00 1jof s GLU 335 Cb -0.18 -2.30 0.02 0.00 0.10 0.00 0.00 34.13 31.77 1jof s GLU 335 CO -0.06 0.53 -0.16 0.42 0.02 0.00 0.00 175.26 176.01 1jof s ILE 336 N -1.12 1.59 0.19 -1.63 1.01 0.43 -1.53 121.20 120.14 1jof s ILE 336 Ca 0.19 -0.68 0.07 0.00 0.00 0.00 0.00 60.65 60.23 1jof s ILE 336 Cb -0.11 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 1jof s ILE 336 CO 0.11 0.46 0.03 -0.31 0.00 0.00 0.00 174.94 175.23 1jof s TYR 337 N 1.12 2.89 -0.07 3.97 1.51 -1.26 -0.86 117.35 124.64 1jof s TYR 337 Ca -0.03 -0.13 -0.00 0.00 -1.01 0.00 0.00 57.07 55.90 1jof s TYR 337 Cb -0.14 -1.38 -0.03 0.00 -0.11 0.00 0.00 41.96 40.30 1jof s TYR 337 CO -0.04 0.53 -0.03 0.50 -1.11 0.00 0.00 175.55 175.39 1jof s ARG 338 N -3.10 2.85 -0.33 -0.62 3.52 0.46 -4.30 118.95 117.44 1jof s ARG 338 Ca 0.29 -0.49 -0.08 0.00 -0.13 0.00 0.00 55.73 55.32 1jof s ARG 338 Cb -0.09 -2.68 0.02 0.00 -1.56 0.00 0.00 34.95 30.64 1jof s ARG 338 CO 0.20 0.68 0.12 -0.46 -0.81 0.00 0.00 175.30 175.02 1jof s TRP 339 N -0.86 3.20 -0.06 5.12 -0.00 0.24 -1.73 118.94 124.86 1jof s TRP 339 Ca 0.13 -1.11 -0.02 0.00 -0.00 0.00 0.00 56.10 55.09 1jof s TRP 339 Cb -0.11 -2.30 0.04 0.00 -0.00 0.00 0.00 33.47 31.10 1jof s TRP 339 CO 0.02 -0.64 0.12 0.21 -0.00 0.00 0.00 176.95 176.66 1jof s LYS 340 N 1.48 0.04 -1.62 5.86 2.47 -0.54 -4.55 119.74 122.89 1jof s LYS 340 Ca 0.01 0.37 -0.15 0.00 -1.56 0.00 0.00 55.97 54.64 1jof s LYS 340 Cb -0.18 -0.24 0.12 0.00 -1.46 0.00 0.00 37.83 36.07 1jof s LYS 340 CO 0.04 -0.21 0.82 -0.25 0.16 0.00 0.00 175.35 175.91 1jof n ASP 341 N 4.50 -3.49 -3.13 1.43 8.00 -1.26 -1.57 116.55 121.03 1jof n ASP 341 Ca -0.21 -0.93 -0.23 0.00 0.71 0.00 0.00 54.79 54.13 1jof n ASP 341 Cb 0.51 -3.17 0.03 0.00 -0.02 0.00 0.00 41.12 38.47 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 -4.48 -4.65 -4.07 -1.24 1.02 -1.26 -4.99 120.64 100.96 1jof n GLU 342 Ca 0.02 0.80 -0.14 0.00 -0.02 0.00 0.00 57.16 57.82 1jof n GLU 342 Cb 0.52 -5.63 -0.13 0.00 -0.02 0.00 0.00 31.44 26.18 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 -3.12 0.43 -0.12 -0.32 0.40 -0.61 -4.98 117.98 109.65 1jof s PHE 343 Ca 0.34 -0.22 -0.04 0.00 -0.60 0.00 0.00 56.93 56.41 1jof s PHE 343 Cb -0.16 -0.27 -0.03 0.00 0.51 0.00 0.00 43.02 43.07 1jof s PHE 343 CO 0.42 -0.04 0.03 -1.17 0.70 0.00 0.00 175.22 175.15 1jof s LEU 344 N -0.60 3.68 -0.04 -0.37 2.96 -1.26 -1.46 118.68 121.58 1jof s LEU 344 Ca -0.03 0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 53.98 1jof s LEU 344 Cb -0.04 -1.88 0.02 0.00 0.50 0.00 0.00 46.19 44.79 1jof s LEU 344 CO -0.00 0.30 0.10 -1.38 -1.32 0.00 0.00 176.35 174.04 1jof s HIS 345 N -0.39 -0.10 0.36 5.38 -3.43 -0.70 -4.97 115.29 111.44 1jof s HIS 345 Ca 0.08 0.29 -0.27 0.00 -0.80 0.00 0.00 55.06 54.36 1jof s HIS 345 Cb -0.12 -0.04 -0.09 0.00 -1.43 0.00 0.00 32.58 30.89 1jof s HIS 345 CO 0.02 -0.09 1.25 0.50 -2.00 0.00 0.00 174.74 174.42 1jof s ARG 346 N 0.54 4.20 0.00 -0.38 3.52 -1.26 -0.40 118.95 125.17 1jof s ARG 346 Ca -0.04 2.07 0.00 0.00 -0.13 0.00 0.00 55.73 57.63 1jof s ARG 346 Cb -0.06 -2.90 0.00 0.00 -1.56 0.00 0.00 34.95 30.43 1jof s ARG 346 CO -0.02 -0.26 0.00 1.33 -0.81 0.00 0.00 175.30 175.54 1jof n VAL 347 N 0.48 0.00 -3.52 7.11 0.24 -0.04 -4.86 118.33 117.74 1jof n VAL 347 Ca 0.02 -0.01 -0.10 0.00 -2.04 0.00 0.00 64.34 62.21 1jof n VAL 347 Cb 0.44 0.36 -0.03 0.00 -1.47 0.00 0.00 33.84 33.14 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 -1.38 -1.84 0.08 2.33 0.00 -1.13 -4.65 121.76 115.18 1jof s ALA 348 Ca 0.00 1.19 -0.26 0.00 0.00 0.00 0.00 51.96 52.89 1jof s ALA 348 Cb 0.00 0.06 0.08 0.00 0.00 0.00 0.00 23.12 23.27 1jof s ALA 348 CO 0.00 -0.55 0.79 -0.98 0.00 0.00 0.00 175.76 175.02 1jof s ARG 349 N -2.36 1.06 -0.12 0.00 1.70 -1.26 -0.43 118.95 117.55 1jof s ARG 349 Ca 0.01 -0.43 -0.13 0.00 -0.47 0.00 0.00 55.73 54.71 1jof s ARG 349 Cb -0.01 0.47 0.03 0.00 -0.57 0.00 0.00 34.95 34.87 1jof s ARG 349 CO -0.04 -0.47 0.35 0.54 -1.08 0.00 0.00 175.30 174.60 1jof s VAL 350 N -3.39 0.01 -0.11 4.99 0.11 -0.61 -4.59 120.40 116.81 1jof s VAL 350 Ca 0.05 -0.06 -0.05 0.00 -2.93 0.00 0.00 61.98 58.99 1jof s VAL 350 Cb -0.01 -0.52 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 1jof s VAL 350 CO -0.08 -0.03 0.08 -0.60 -3.33 0.00 0.00 175.10 171.13 1jof s ARG 351 N -0.01 3.33 -0.33 1.54 3.52 -1.26 -1.37 118.95 124.35 1jof s ARG 351 Ca -0.02 -0.26 0.04 0.00 -0.13 0.00 0.00 55.73 55.36 1jof s ARG 351 Cb -0.03 -3.04 0.10 0.00 -1.56 0.00 0.00 34.95 30.42 1jof s ARG 351 CO 0.01 0.69 0.04 0.42 -0.81 0.00 0.00 175.30 175.66 1jof s ILE 352 N -0.81 2.17 -0.97 4.11 1.01 -0.11 -5.00 121.20 121.60 1jof s ILE 352 Ca 0.13 -2.24 0.00 0.00 0.00 0.00 0.00 60.65 58.54 1jof s ILE 352 Cb -0.12 -2.59 0.00 0.00 0.01 0.00 0.00 42.46 39.76 1jof s ILE 352 CO 0.03 -0.57 0.00 -2.65 0.00 0.00 0.00 174.94 171.74 1jof n PRO 353 N 4.30 0.00 -3.51 2.79 -0.02 -1.26 -4.74 135.00 132.56 1jof n PRO 353 Ca 0.03 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.24 1jof n PRO 353 Cb 0.42 -0.98 -0.03 0.00 -0.02 0.00 0.00 33.50 32.90 1jof n PRO 353 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1jof s GLU 354 N -0.97 3.55 0.01 -0.52 0.41 -1.26 -5.02 118.70 114.89 1jof s GLU 354 Ca 0.00 -0.24 -0.36 0.00 -0.41 0.00 0.00 54.97 53.97 1jof s GLU 354 Cb 0.00 -2.74 -0.14 0.00 -1.78 0.00 0.00 34.13 29.47 1jof s GLU 354 CO 0.00 0.28 1.62 -2.30 -0.49 0.00 0.00 175.26 174.37 1jof n PRO 355 N -1.02 1.75 -1.08 0.39 -0.02 -1.26 -1.75 135.00 132.00 1jof n PRO 355 Ca -0.04 0.63 -0.03 0.00 -2.02 0.00 0.00 63.50 62.05 1jof n PRO 355 Cb 0.54 -2.38 -0.01 0.00 -0.02 0.00 0.00 33.50 31.64 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 3.56 0.32 3.76 -1.23 0.00 -1.26 -4.38 105.19 105.96 1jof n GLY 356 Ca 0.20 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 3.09 0.00 1.61 5.36 -0.72 -1.17 117.98 124.79 1jof s PHE 357 Ca 0.00 1.34 0.00 0.00 -0.96 0.00 0.00 56.93 57.31 1jof s PHE 357 Cb 0.00 -3.68 0.00 0.00 -0.34 0.00 0.00 43.02 39.00 1jof s PHE 357 CO 0.00 -1.94 0.00 0.41 -1.46 0.00 0.00 175.22 172.23 1jof n GLY 358 N 1.21 1.29 3.86 13.12 0.00 -1.20 -3.94 105.19 119.54 1jof n GLY 358 Ca 0.02 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 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 6.68 0.02 1.61 4.22 -1.26 -3.51 114.94 122.70 1jof s ASN 360 Ca 0.00 0.90 0.05 0.00 -2.14 0.00 0.00 52.86 51.66 1jof s ASN 360 Cb 0.00 -2.22 -0.03 0.00 1.28 0.00 0.00 41.25 40.28 1jof s ASN 360 CO 0.00 0.07 -0.11 0.00 -2.04 0.00 0.00 177.10 175.02 1jof s ALA 361 N -1.55 2.84 -0.02 3.54 0.00 -1.26 -3.58 121.76 121.72 1jof s ALA 361 Ca 0.39 -1.09 0.03 0.00 0.00 0.00 0.00 51.96 51.30 1jof s ALA 361 Cb -0.13 -0.97 -0.00 0.00 0.00 0.00 0.00 23.12 22.01 1jof s ALA 361 CO 0.20 0.60 -0.12 0.96 0.00 0.00 0.00 175.76 177.40 1jof s ILE 362 N -0.96 0.96 -0.11 0.00 -4.36 -1.26 -4.82 121.20 110.66 1jof s ILE 362 Ca 0.16 -0.48 -0.21 0.00 -0.26 0.00 0.00 60.65 59.86 1jof s ILE 362 Cb -0.11 -0.83 -0.04 0.00 1.25 0.00 0.00 42.46 42.74 1jof s ILE 362 CO 0.06 0.28 0.61 0.26 0.24 0.00 0.00 174.94 176.39 1jof s TRP 363 N -0.03 3.52 -0.08 1.37 0.52 -1.26 -4.35 118.94 118.63 1jof s TRP 363 Ca 0.00 1.06 0.04 0.00 0.02 0.00 0.00 56.10 57.22 1jof s TRP 363 Cb -0.07 -2.71 0.00 0.00 -1.15 0.00 0.00 33.47 29.54 1jof s TRP 363 CO 0.00 0.08 -0.20 -0.47 0.02 0.00 0.00 176.95 176.38 1jof s TYR 364 N 0.91 2.11 0.00 -1.98 5.04 -0.59 -4.99 117.35 117.85 1jof s TYR 364 Ca 0.32 -0.80 0.00 0.00 -2.44 0.00 0.00 57.07 54.14 1jof s TYR 364 Cb -0.16 -1.44 0.00 0.00 0.35 0.00 0.00 41.96 40.71 1jof s TYR 364 CO 0.14 -0.33 0.00 -0.25 -1.34 0.00 0.00 175.55 173.77